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 3izh_1_B DATA FIRST_RESID 514 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 514 V HA 0.000 nan 4.120 nan 0.000 0.244 514 V C 0.000 176.088 176.094 -0.010 0.000 1.182 514 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 514 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 515 L N 2.511 123.726 121.223 -0.013 0.000 2.325 515 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 515 L C -2.188 174.674 176.870 -0.014 0.000 1.054 515 L CA -1.543 53.288 54.840 -0.013 0.000 0.804 515 L CB 0.865 42.913 42.059 -0.017 0.000 1.200 515 L HN 0.163 nan 8.230 nan 0.000 0.436 516 P HA -0.009 nan 4.420 nan 0.000 0.264 516 P C -0.445 176.847 177.300 -0.014 0.000 1.193 516 P CA -0.143 62.951 63.100 -0.011 0.000 0.763 516 P CB 0.401 32.096 31.700 -0.009 0.000 0.810 517 E N 3.251 123.443 120.200 -0.014 0.000 2.452 517 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 517 E C 0.844 177.436 176.600 -0.015 0.000 0.987 517 E CA 0.389 56.779 56.400 -0.016 0.000 0.926 517 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 517 E HN 0.618 nan 8.360 nan 0.000 0.452 518 N N 2.456 121.145 118.700 -0.018 0.000 2.990 518 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 518 N C -0.614 174.885 175.510 -0.018 0.000 1.452 518 N CA 0.223 53.263 53.050 -0.016 0.000 1.624 518 N CB -0.630 37.850 38.487 -0.011 0.000 1.088 518 N HN 0.388 nan 8.380 nan 0.000 0.695 519 M N 2.059 121.646 119.600 -0.020 0.000 2.228 519 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 519 M C 0.301 176.578 176.300 -0.037 0.000 1.233 519 M CA 0.553 55.840 55.300 -0.021 0.000 1.129 519 M CB 0.842 33.431 32.600 -0.018 0.000 1.604 519 M HN 0.162 nan 8.290 nan 0.000 0.457 520 K N 2.269 122.649 120.400 -0.034 0.000 2.316 520 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 520 K C -1.212 175.344 176.600 -0.073 0.000 0.934 520 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 520 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 520 K HN 0.676 nan 8.250 nan 0.000 0.426 521 R N 3.086 123.459 120.500 -0.212 0.000 2.621 521 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 521 R C -1.521 174.569 176.300 -0.350 0.000 0.998 521 R CA -0.599 55.420 56.100 -0.136 0.000 0.895 521 R CB 0.894 31.152 30.300 -0.070 0.000 1.195 521 R HN 0.626 nan 8.270 nan 0.000 0.450 522 Y N 4.206 124.510 120.300 0.007 0.000 2.462 522 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 522 Y C 0.274 176.181 175.900 0.011 0.000 0.976 522 Y CA -0.949 57.158 58.100 0.013 0.000 1.044 522 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 522 Y HN 0.426 nan 8.280 nan 0.000 0.455 523 M N 0.861 120.545 119.600 0.141 0.000 2.618 523 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 523 M C 0.180 176.519 176.300 0.066 0.000 1.267 523 M CA -0.144 55.204 55.300 0.080 0.000 0.845 523 M CB 1.350 33.974 32.600 0.040 0.000 1.732 523 M HN 0.877 nan 8.290 nan 0.000 0.461 524 G N 2.282 111.108 108.800 0.043 0.000 2.574 524 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 524 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 524 G C 0.507 175.425 174.900 0.030 0.000 1.212 524 G CA 1.067 46.183 45.100 0.027 0.000 0.979 524 G HN 1.179 nan 8.290 nan 0.000 0.557 525 R N 0.437 120.952 120.500 0.024 0.000 2.189 525 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 525 R C 2.068 178.388 176.300 0.034 0.000 1.092 525 R CA 1.947 58.059 56.100 0.020 0.000 0.989 525 R CB -0.373 29.934 30.300 0.012 0.000 0.876 525 R HN 0.596 nan 8.270 nan 0.000 0.457 526 D N 0.259 120.696 120.400 0.061 0.000 2.123 526 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 526 D C 1.706 178.058 176.300 0.088 0.000 0.976 526 D CA 1.404 55.463 54.000 0.099 0.000 0.831 526 D CB -0.126 40.778 40.800 0.175 0.000 0.974 526 D HN 0.361 nan 8.370 nan 0.000 0.469 527 A N 0.958 123.839 122.820 0.102 0.000 1.933 527 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 527 A C 2.152 179.746 177.584 0.017 0.000 1.175 527 A CA 1.323 53.405 52.037 0.075 0.000 0.628 527 A CB -0.517 18.536 19.000 0.089 0.000 0.814 527 A HN 0.195 nan 8.150 nan 0.000 0.444 528 Q N -1.110 118.700 119.800 0.016 0.000 2.046 528 Q HA -0.145 4.194 4.340 -0.000 0.000 0.200 528 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 528 Q CA 1.441 57.245 55.803 0.001 0.000 0.836 528 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 528 Q HN 0.690 nan 8.270 nan 0.000 0.428 529 R N 0.688 121.180 120.500 -0.013 0.000 2.083 529 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 529 R C 2.292 178.558 176.300 -0.056 0.000 1.137 529 R CA 1.676 57.761 56.100 -0.025 0.000 0.951 529 R CB -0.214 30.079 30.300 -0.012 0.000 0.851 529 R HN 0.293 nan 8.270 nan 0.000 0.434 530 M N 0.472 120.023 119.600 -0.082 0.000 2.086 530 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 530 M C 1.866 178.087 176.300 -0.132 0.000 1.067 530 M CA 2.335 57.547 55.300 -0.146 0.000 1.116 530 M CB -0.330 32.122 32.600 -0.248 0.000 1.348 530 M HN 0.160 nan 8.290 nan 0.000 0.407 531 N N 0.535 119.186 118.700 -0.082 0.000 2.069 531 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 531 N C 1.466 176.944 175.510 -0.054 0.000 1.031 531 N CA 2.059 55.076 53.050 -0.055 0.000 0.852 531 N CB -0.354 38.121 38.487 -0.021 0.000 1.018 531 N HN 0.494 nan 8.380 nan 0.000 0.423 532 I N -0.411 120.133 120.570 -0.044 0.000 2.179 532 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 532 I C 1.704 177.791 176.117 -0.050 0.000 1.088 532 I CA 0.585 61.864 61.300 -0.034 0.000 1.357 532 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 532 I HN 0.194 nan 8.210 nan 0.000 0.409 533 L N 0.691 121.874 121.223 -0.068 0.000 2.046 533 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 533 L C 2.679 179.490 176.870 -0.098 0.000 1.077 533 L CA 2.126 56.920 54.840 -0.077 0.000 0.747 533 L CB -1.270 40.737 42.059 -0.087 0.000 0.896 533 L HN 0.201 nan 8.230 nan 0.000 0.432 534 A N -0.622 122.116 122.820 -0.137 0.000 1.877 534 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 534 A C 2.428 179.957 177.584 -0.092 0.000 1.186 534 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 534 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 534 A HN 0.438 nan 8.150 nan 0.000 0.443 535 G N -0.396 108.364 108.800 -0.066 0.000 2.418 535 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 535 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 535 G C 1.702 176.580 174.900 -0.036 0.000 1.158 535 G CA 1.376 46.452 45.100 -0.040 0.000 0.771 535 G HN 0.552 nan 8.290 nan 0.000 0.545 536 R N 0.766 121.243 120.500 -0.039 0.000 2.073 536 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 536 R C 2.468 178.748 176.300 -0.034 0.000 1.134 536 R CA 1.361 57.442 56.100 -0.033 0.000 0.952 536 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 536 R HN 0.433 nan 8.270 nan 0.000 0.433 537 I N 0.209 120.753 120.570 -0.044 0.000 2.226 537 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 537 I C 1.834 177.931 176.117 -0.034 0.000 1.100 537 I CA 0.827 62.102 61.300 -0.041 0.000 1.374 537 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 537 I HN 0.160 nan 8.210 nan 0.000 0.413 538 I N 1.096 121.645 120.570 -0.035 0.000 2.226 538 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 538 I C 2.848 178.953 176.117 -0.021 0.000 1.100 538 I CA 1.706 62.991 61.300 -0.025 0.000 1.374 538 I CB -1.477 36.509 38.000 -0.023 0.000 1.057 538 I HN 0.189 nan 8.210 nan 0.000 0.413 539 A N 0.318 123.124 122.820 -0.022 0.000 1.933 539 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 539 A C 2.151 179.723 177.584 -0.020 0.000 1.175 539 A CA 1.311 53.335 52.037 -0.020 0.000 0.628 539 A CB -0.407 18.581 19.000 -0.021 0.000 0.814 539 A HN 0.373 nan 8.150 nan 0.000 0.444 540 E N -0.466 119.722 120.200 -0.021 0.000 2.150 540 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 540 E C 1.999 178.589 176.600 -0.017 0.000 0.985 540 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 540 E CB -0.590 29.098 29.700 -0.021 0.000 0.752 540 E HN 0.591 nan 8.360 nan 0.000 0.466 541 T N 0.932 115.476 114.554 -0.017 0.000 2.857 541 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 541 T C 2.099 176.792 174.700 -0.011 0.000 1.048 541 T CA 1.488 63.580 62.100 -0.013 0.000 1.139 541 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 541 T HN 0.201 nan 8.240 nan 0.000 0.455 542 V N 0.130 120.037 119.914 -0.012 0.000 2.992 542 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 542 V C 2.266 178.353 176.094 -0.012 0.000 1.090 542 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 542 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 542 V HN 0.223 nan 8.190 nan 0.000 0.468 543 R N 2.251 122.742 120.500 -0.015 0.000 2.211 543 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 543 R C 2.175 178.466 176.300 -0.014 0.000 1.144 543 R CA 1.874 57.964 56.100 -0.017 0.000 0.992 543 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 543 R HN 0.794 nan 8.270 nan 0.000 0.462 544 S N -1.662 114.031 115.700 -0.012 0.000 2.595 544 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 544 S C 1.285 175.881 174.600 -0.006 0.000 0.974 544 S CA 1.168 59.363 58.200 -0.009 0.000 0.942 544 S CB 0.331 63.526 63.200 -0.007 0.000 0.766 544 S HN 0.272 nan 8.310 nan 0.000 0.536 545 T N 1.222 115.772 114.554 -0.007 0.000 3.015 545 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 545 T C 0.275 174.972 174.700 -0.006 0.000 1.057 545 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 545 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 545 T HN 0.291 nan 8.240 nan 0.000 0.488 546 L N 2.499 123.716 121.223 -0.010 0.000 2.499 546 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 546 L C 0.721 177.583 176.870 -0.014 0.000 1.195 546 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 546 L CB -0.770 41.277 42.059 -0.019 0.000 1.133 546 L HN 0.441 nan 8.230 nan 0.000 0.483 547 G N 3.865 112.657 108.800 -0.014 0.000 2.663 547 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 547 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 547 G C -1.999 172.896 174.900 -0.007 0.000 1.288 547 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 547 G HN 0.502 nan 8.290 nan 0.000 0.584 548 P HA -0.002 nan 4.420 nan 0.000 0.218 548 P C 1.396 178.707 177.300 0.017 0.000 1.148 548 P CA 1.269 64.372 63.100 0.005 0.000 0.822 548 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 549 K N -0.503 119.904 120.400 0.010 0.000 2.446 549 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 549 K C 0.967 177.573 176.600 0.011 0.000 1.027 549 K CA -0.047 56.251 56.287 0.018 0.000 1.166 549 K CB -0.149 32.360 32.500 0.016 0.000 0.869 549 K HN 0.063 nan 8.250 nan 0.000 0.504 550 G N 1.854 110.658 108.800 0.007 0.000 2.442 550 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 550 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 550 G C 0.310 175.214 174.900 0.007 0.000 1.263 550 G CA -0.422 44.680 45.100 0.003 0.000 0.846 550 G HN 0.197 nan 8.290 nan 0.000 0.555 551 M N 0.701 120.304 119.600 0.005 0.000 2.792 551 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 551 M C -0.818 175.485 176.300 0.005 0.000 1.215 551 M CA -1.041 54.264 55.300 0.007 0.000 0.883 551 M CB 1.826 34.430 32.600 0.006 0.000 1.620 551 M HN 0.459 nan 8.290 nan 0.000 0.511 552 D N -0.679 119.725 120.400 0.005 0.000 2.340 552 D HA 0.577 5.217 4.640 -0.000 0.000 0.243 552 D C -1.436 174.866 176.300 0.002 0.000 0.988 552 D CA -0.784 53.218 54.000 0.004 0.000 0.959 552 D CB 1.404 42.207 40.800 0.005 0.000 1.226 552 D HN 0.640 nan 8.370 nan 0.000 0.509 553 K N -0.110 120.290 120.400 0.001 0.000 2.267 553 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 553 K C -0.918 175.682 176.600 0.000 0.000 0.954 553 K CA -1.040 55.247 56.287 0.000 0.000 0.824 553 K CB 2.327 34.826 32.500 -0.001 0.000 1.167 553 K HN 0.483 nan 8.250 nan 0.000 0.431 554 M N 3.584 123.184 119.600 -0.000 0.000 2.078 554 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 554 M C -1.858 174.442 176.300 -0.001 0.000 0.969 554 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 554 M CB 0.652 33.252 32.600 -0.001 0.000 1.504 554 M HN 0.382 nan 8.290 nan 0.000 0.419 555 L N 5.939 127.162 121.223 -0.001 0.000 2.298 555 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 555 L C -0.943 175.927 176.870 -0.001 0.000 1.013 555 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 555 L CB 1.960 44.019 42.059 -0.000 0.000 1.221 555 L HN 0.439 nan 8.230 nan 0.000 0.418 556 V N 3.168 123.082 119.914 -0.000 0.000 2.326 556 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 556 V C -0.268 175.826 176.094 0.000 0.000 1.015 556 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 556 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 556 V HN 0.796 nan 8.190 nan 0.000 0.436 557 D N 3.488 123.888 120.400 0.000 0.000 2.369 557 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 557 D C 1.132 177.432 176.300 0.001 0.000 1.271 557 D CA -0.197 53.803 54.000 0.001 0.000 0.942 557 D CB 0.609 41.410 40.800 0.001 0.000 1.129 557 D HN 0.589 nan 8.370 nan 0.000 0.476 558 D N -0.397 120.004 120.400 0.001 0.000 2.351 558 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 558 D C 1.612 177.912 176.300 0.001 0.000 0.968 558 D CA 0.620 54.621 54.000 0.001 0.000 0.899 558 D CB -0.138 40.664 40.800 0.002 0.000 0.907 558 D HN 0.419 nan 8.370 nan 0.000 0.514 559 L N -0.983 120.240 121.223 0.001 0.000 2.463 559 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 559 L C 1.981 178.851 176.870 -0.000 0.000 1.088 559 L CA 0.611 55.451 54.840 0.000 0.000 0.849 559 L CB 0.229 42.288 42.059 0.000 0.000 1.012 559 L HN 0.324 nan 8.230 nan 0.000 0.468 560 G N -0.581 108.219 108.800 -0.000 0.000 2.278 560 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 560 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 560 G C 0.123 175.023 174.900 -0.001 0.000 1.000 560 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 560 G HN 0.289 nan 8.290 nan 0.000 0.495 561 D N 1.025 121.424 120.400 -0.001 0.000 2.472 561 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 561 D C 0.351 176.650 176.300 -0.002 0.000 1.141 561 D CA 0.510 54.509 54.000 -0.001 0.000 0.875 561 D CB 1.198 41.997 40.800 -0.001 0.000 1.192 561 D HN 0.383 nan 8.370 nan 0.000 0.450 562 V N 4.221 124.134 119.914 -0.002 0.000 2.540 562 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 562 V C -0.174 175.918 176.094 -0.003 0.000 1.035 562 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 562 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 562 V HN 0.402 nan 8.190 nan 0.000 0.428 563 V N 6.289 126.202 119.914 -0.002 0.000 2.487 563 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 563 V C -0.877 175.216 176.094 -0.002 0.000 1.028 563 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 563 V CB 2.106 33.929 31.823 -0.001 0.000 0.991 563 V HN 0.644 nan 8.190 nan 0.000 0.427 564 V N 6.332 126.244 119.914 -0.002 0.000 2.376 564 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 564 V C 0.057 176.151 176.094 -0.000 0.000 1.015 564 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 564 V CB 1.364 33.186 31.823 -0.002 0.000 1.001 564 V HN 1.027 nan 8.190 nan 0.000 0.428 565 T N 2.549 117.103 114.554 0.001 0.000 2.787 565 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 565 T C 0.246 174.947 174.700 0.002 0.000 1.221 565 T CA -0.175 61.925 62.100 0.001 0.000 1.006 565 T CB 1.943 70.811 68.868 0.001 0.000 1.328 565 T HN 0.654 nan 8.240 nan 0.000 0.509 566 N N 0.539 119.240 118.700 0.002 0.000 2.273 566 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 566 N C -0.105 175.406 175.510 0.000 0.000 1.132 566 N CA -0.147 52.904 53.050 0.002 0.000 0.887 566 N CB -0.165 38.324 38.487 0.003 0.000 1.048 566 N HN 0.603 nan 8.380 nan 0.000 0.490 567 D N 0.442 120.842 120.400 0.001 0.000 2.450 567 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 567 D C 1.463 177.763 176.300 -0.001 0.000 1.162 567 D CA 0.303 54.303 54.000 0.000 0.000 0.879 567 D CB 1.057 41.858 40.800 0.001 0.000 1.163 567 D HN 0.244 nan 8.370 nan 0.000 0.472 568 G N 2.486 111.285 108.800 -0.001 0.000 2.421 568 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 568 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 568 G C 1.555 176.455 174.900 -0.001 0.000 1.171 568 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 568 G HN 0.491 nan 8.290 nan 0.000 0.543 569 V N 0.965 120.880 119.914 0.000 0.000 2.287 569 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 569 V C 3.149 179.244 176.094 0.002 0.000 1.053 569 V CA 2.417 64.718 62.300 0.001 0.000 1.027 569 V CB -1.045 30.779 31.823 0.002 0.000 0.646 569 V HN 0.384 nan 8.190 nan 0.000 0.447 570 T N 0.235 114.790 114.554 0.001 0.000 2.708 570 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 570 T C 1.834 176.534 174.700 0.001 0.000 1.037 570 T CA 1.882 63.983 62.100 0.001 0.000 1.146 570 T CB -0.313 68.555 68.868 0.001 0.000 0.865 570 T HN 0.338 nan 8.240 nan 0.000 0.435 571 I N 0.463 121.033 120.570 0.000 0.000 2.163 571 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 571 I C 2.069 178.186 176.117 0.000 0.000 1.085 571 I CA 1.082 62.382 61.300 -0.000 0.000 1.347 571 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 571 I HN 0.168 nan 8.210 nan 0.000 0.408 572 L N 0.020 121.244 121.223 0.001 0.000 2.179 572 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 572 L C 2.476 179.348 176.870 0.004 0.000 1.096 572 L CA 1.413 56.254 54.840 0.002 0.000 0.779 572 L CB -0.924 41.136 42.059 0.001 0.000 0.922 572 L HN 0.146 nan 8.230 nan 0.000 0.443 573 R N -0.001 120.501 120.500 0.003 0.000 2.075 573 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 573 R C 1.909 178.212 176.300 0.004 0.000 1.126 573 R CA 1.263 57.365 56.100 0.004 0.000 0.963 573 R CB 0.036 30.338 30.300 0.003 0.000 0.858 573 R HN 0.326 nan 8.270 nan 0.000 0.435 574 E N 0.580 120.782 120.200 0.003 0.000 2.072 574 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 574 E C 1.171 177.773 176.600 0.003 0.000 0.982 574 E CA 0.291 56.693 56.400 0.003 0.000 0.803 574 E CB -0.281 29.420 29.700 0.002 0.000 0.755 574 E HN 0.301 nan 8.360 nan 0.000 0.453 575 M N 0.862 120.464 119.600 0.003 0.000 2.252 575 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 575 M C 0.144 176.448 176.300 0.007 0.000 1.070 575 M CA 0.487 55.790 55.300 0.004 0.000 1.143 575 M CB 0.578 33.181 32.600 0.004 0.000 1.498 575 M HN -0.188 nan 8.290 nan 0.000 0.445 576 S N 4.010 119.715 115.700 0.008 0.000 2.512 576 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 576 S C -0.803 173.806 174.600 0.014 0.000 1.151 576 S CA -0.852 57.353 58.200 0.010 0.000 1.120 576 S CB 0.002 63.207 63.200 0.008 0.000 1.029 576 S HN 0.531 nan 8.310 nan 0.000 0.485 577 V N 4.970 124.895 119.914 0.017 0.000 2.732 577 V HA 0.328 4.447 4.120 -0.000 0.000 0.297 577 V C 1.013 177.127 176.094 0.032 0.000 1.060 577 V CA -0.118 62.199 62.300 0.027 0.000 1.038 577 V CB 1.488 33.330 31.823 0.030 0.000 1.003 577 V HN 0.800 nan 8.190 nan 0.000 0.481 578 E N 0.658 120.886 120.200 0.047 0.000 2.288 578 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 578 E C 0.678 177.308 176.600 0.050 0.000 0.880 578 E CA -0.038 56.387 56.400 0.041 0.000 0.971 578 E CB 0.011 29.734 29.700 0.038 0.000 0.954 578 E HN 0.693 nan 8.360 nan 0.000 0.489 579 H N 2.800 121.867 119.070 -0.005 0.000 2.886 579 H HA 0.018 4.574 4.556 0.000 0.000 0.329 579 H C -1.721 173.601 175.328 -0.010 0.000 1.044 579 H CA -1.191 54.851 56.048 -0.011 0.000 1.456 579 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 579 H HN -0.172 nan 8.280 nan 0.000 0.573 580 P HA -0.126 nan 4.420 nan 0.000 0.215 580 P C 1.125 178.488 177.300 0.105 0.000 1.153 580 P CA 1.983 65.073 63.100 -0.016 0.000 0.853 580 P CB 0.099 31.745 31.700 -0.089 0.000 0.788 581 A N -0.118 122.874 122.820 0.287 0.000 1.933 581 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 581 A C 2.298 179.949 177.584 0.111 0.000 1.175 581 A CA 2.033 54.191 52.037 0.201 0.000 0.628 581 A CB -1.538 17.576 19.000 0.191 0.000 0.814 581 A HN 0.201 nan 8.150 nan 0.000 0.444 582 A N -0.186 122.717 122.820 0.139 0.000 1.929 582 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 582 A C 2.068 179.679 177.584 0.046 0.000 1.176 582 A CA 1.588 53.654 52.037 0.048 0.000 0.628 582 A CB -0.373 18.650 19.000 0.038 0.000 0.816 582 A HN 0.521 nan 8.150 nan 0.000 0.444 583 K N -1.004 119.433 120.400 0.061 0.000 2.147 583 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 583 K C 2.032 178.650 176.600 0.030 0.000 1.049 583 K CA 1.575 57.885 56.287 0.038 0.000 0.936 583 K CB -0.236 32.284 32.500 0.033 0.000 0.722 583 K HN 0.600 nan 8.250 nan 0.000 0.446 584 M N 0.706 120.327 119.600 0.036 0.000 2.254 584 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 584 M C 1.915 178.227 176.300 0.020 0.000 1.066 584 M CA 0.989 56.305 55.300 0.027 0.000 1.123 584 M CB 0.119 32.737 32.600 0.031 0.000 1.388 584 M HN 0.112 nan 8.290 nan 0.000 0.425 585 L N 0.780 122.014 121.223 0.018 0.000 2.156 585 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 585 L C 1.921 178.797 176.870 0.009 0.000 1.095 585 L CA 1.370 56.216 54.840 0.010 0.000 0.770 585 L CB -0.603 41.458 42.059 0.002 0.000 0.914 585 L HN 0.275 nan 8.230 nan 0.000 0.439 586 I N -0.076 120.501 120.570 0.011 0.000 2.315 586 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 586 I C 2.358 178.480 176.117 0.009 0.000 1.125 586 I CA 1.108 62.414 61.300 0.010 0.000 1.392 586 I CB -1.286 36.721 38.000 0.012 0.000 1.065 586 I HN 0.387 nan 8.210 nan 0.000 0.424 587 E N 0.650 120.856 120.200 0.011 0.000 2.150 587 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 587 E C 2.486 179.092 176.600 0.010 0.000 0.985 587 E CA 0.793 57.200 56.400 0.011 0.000 0.814 587 E CB -0.226 29.481 29.700 0.012 0.000 0.752 587 E HN 0.342 nan 8.360 nan 0.000 0.466 588 V N 1.754 121.674 119.914 0.010 0.000 2.287 588 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 588 V C 2.505 178.604 176.094 0.008 0.000 1.053 588 V CA 1.947 64.253 62.300 0.010 0.000 1.027 588 V CB -0.939 30.890 31.823 0.010 0.000 0.646 588 V HN 0.251 nan 8.190 nan 0.000 0.447 589 A N -0.353 122.471 122.820 0.006 0.000 1.902 589 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 589 A C 2.304 179.891 177.584 0.005 0.000 1.181 589 A CA 2.030 54.070 52.037 0.005 0.000 0.623 589 A CB -0.443 18.559 19.000 0.003 0.000 0.818 589 A HN 0.557 nan 8.150 nan 0.000 0.443 590 K N -1.019 119.384 120.400 0.006 0.000 2.097 590 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 590 K C 2.024 178.628 176.600 0.007 0.000 1.050 590 K CA 1.672 57.963 56.287 0.006 0.000 0.938 590 K CB -0.335 32.169 32.500 0.006 0.000 0.718 590 K HN 0.462 nan 8.250 nan 0.000 0.442 591 T N 0.975 115.533 114.554 0.008 0.000 2.904 591 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 591 T C 1.802 176.507 174.700 0.008 0.000 1.059 591 T CA 1.129 63.234 62.100 0.009 0.000 1.137 591 T CB -0.080 68.794 68.868 0.010 0.000 0.879 591 T HN 0.153 nan 8.240 nan 0.000 0.467 592 Q N 1.182 120.987 119.800 0.008 0.000 2.084 592 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 592 Q C 2.291 178.294 176.000 0.006 0.000 0.978 592 Q CA 1.425 57.232 55.803 0.007 0.000 0.844 592 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 592 Q HN 0.362 nan 8.270 nan 0.000 0.426 593 E N 0.180 120.383 120.200 0.005 0.000 2.047 593 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 593 E C 1.715 178.318 176.600 0.005 0.000 0.987 593 E CA 1.134 57.536 56.400 0.004 0.000 0.799 593 E CB 0.079 29.781 29.700 0.004 0.000 0.752 593 E HN 0.368 nan 8.360 nan 0.000 0.449 594 K N 0.209 120.612 120.400 0.005 0.000 2.057 594 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 594 K C 2.110 178.714 176.600 0.006 0.000 1.049 594 K CA 1.090 57.380 56.287 0.005 0.000 0.931 594 K CB 0.052 32.555 32.500 0.006 0.000 0.714 594 K HN 0.028 nan 8.250 nan 0.000 0.440 595 E N 0.088 120.292 120.200 0.007 0.000 2.051 595 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 595 E C 2.041 178.645 176.600 0.007 0.000 0.979 595 E CA 1.148 57.552 56.400 0.007 0.000 0.803 595 E CB 0.204 29.910 29.700 0.009 0.000 0.761 595 E HN 0.073 nan 8.360 nan 0.000 0.451 596 V N -1.506 118.412 119.914 0.007 0.000 3.484 596 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 596 V C 1.474 177.571 176.094 0.005 0.000 1.282 596 V CA 0.734 63.037 62.300 0.006 0.000 1.104 596 V CB 0.718 32.545 31.823 0.007 0.000 0.868 596 V HN 0.411 nan 8.190 nan 0.000 0.457 597 G N 0.718 109.521 108.800 0.004 0.000 5.064 597 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.277 597 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.277 597 G C 0.041 174.943 174.900 0.003 0.000 1.580 597 G CA 0.339 45.441 45.100 0.003 0.000 1.109 597 G HN 0.463 nan 8.290 nan 0.000 0.695 598 D N 1.635 122.037 120.400 0.002 0.000 2.383 598 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 598 D C 1.418 177.718 176.300 0.000 0.000 1.170 598 D CA 1.461 55.461 54.000 0.001 0.000 0.977 598 D CB 0.590 41.390 40.800 0.001 0.000 1.120 598 D HN 1.827 nan 8.370 nan 0.000 0.481 599 G N 0.086 108.885 108.800 -0.002 0.000 2.141 599 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 599 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 599 G C 1.074 175.972 174.900 -0.004 0.000 0.984 599 G CA 1.265 46.363 45.100 -0.004 0.000 0.660 599 G HN 0.653 nan 8.290 nan 0.000 0.525 600 T N -2.356 112.197 114.554 -0.002 0.000 2.674 600 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 600 T C 2.232 176.930 174.700 -0.005 0.000 1.039 600 T CA 2.662 64.761 62.100 -0.002 0.000 1.150 600 T CB -0.738 68.130 68.868 -0.001 0.000 0.864 600 T HN 0.334 nan 8.240 nan 0.000 0.427 601 T N 1.766 116.316 114.554 -0.007 0.000 2.777 601 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 601 T C 2.311 177.003 174.700 -0.014 0.000 1.040 601 T CA 1.735 63.829 62.100 -0.010 0.000 1.141 601 T CB -0.962 67.901 68.868 -0.010 0.000 0.868 601 T HN 0.526 nan 8.240 nan 0.000 0.444 602 T N 2.291 116.836 114.554 -0.015 0.000 2.652 602 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 602 T C 2.418 177.105 174.700 -0.022 0.000 1.039 602 T CA 1.325 63.412 62.100 -0.022 0.000 1.153 602 T CB -0.632 68.223 68.868 -0.021 0.000 0.863 602 T HN 0.435 nan 8.240 nan 0.000 0.428 603 A N 0.775 123.587 122.820 -0.014 0.000 1.933 603 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 603 A C 2.605 180.184 177.584 -0.008 0.000 1.175 603 A CA 1.320 53.352 52.037 -0.009 0.000 0.628 603 A CB -0.957 18.043 19.000 -0.000 0.000 0.814 603 A HN 0.360 nan 8.150 nan 0.000 0.444 604 V N -0.569 119.340 119.914 -0.009 0.000 2.307 604 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 604 V C 2.578 178.663 176.094 -0.015 0.000 1.045 604 V CA 1.925 64.219 62.300 -0.009 0.000 1.024 604 V CB -0.629 31.189 31.823 -0.009 0.000 0.651 604 V HN 0.369 nan 8.190 nan 0.000 0.449 605 V N -0.691 119.211 119.914 -0.020 0.000 2.307 605 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 605 V C 2.423 178.496 176.094 -0.034 0.000 1.045 605 V CA 1.997 64.282 62.300 -0.026 0.000 1.024 605 V CB -0.271 31.534 31.823 -0.029 0.000 0.651 605 V HN 0.412 nan 8.190 nan 0.000 0.449 606 V N 0.112 120.002 119.914 -0.041 0.000 2.358 606 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 606 V C 2.595 178.662 176.094 -0.044 0.000 1.047 606 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 606 V CB -0.371 31.409 31.823 -0.072 0.000 0.658 606 V HN 0.520 nan 8.190 nan 0.000 0.452 607 A N -0.191 122.617 122.820 -0.020 0.000 1.933 607 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 607 A C 2.306 179.896 177.584 0.009 0.000 1.175 607 A CA 1.882 53.922 52.037 0.004 0.000 0.628 607 A CB -1.219 17.788 19.000 0.011 0.000 0.814 607 A HN 0.617 nan 8.150 nan 0.000 0.444 608 G N -0.647 108.150 108.800 -0.005 0.000 2.414 608 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 608 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 608 G C 1.429 176.328 174.900 -0.003 0.000 1.188 608 G CA 0.853 45.950 45.100 -0.005 0.000 0.783 608 G HN 0.451 nan 8.290 nan 0.000 0.537 609 E N 0.393 120.584 120.200 -0.015 0.000 2.106 609 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 609 E C 2.694 179.294 176.600 0.000 0.000 0.984 609 E CA 0.382 56.771 56.400 -0.018 0.000 0.806 609 E CB -0.249 29.425 29.700 -0.043 0.000 0.750 609 E HN 0.415 nan 8.360 nan 0.000 0.458 610 L N 0.134 121.357 121.223 0.001 0.000 2.056 610 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 610 L C 2.395 179.355 176.870 0.150 0.000 1.078 610 L CA 0.531 55.405 54.840 0.057 0.000 0.749 610 L CB -0.284 41.791 42.059 0.027 0.000 0.901 610 L HN 0.132 nan 8.230 nan 0.000 0.433 611 L N -0.373 120.905 121.223 0.090 0.000 2.093 611 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 611 L C 2.674 179.575 176.870 0.052 0.000 1.085 611 L CA 1.537 56.420 54.840 0.073 0.000 0.755 611 L CB -0.779 41.306 42.059 0.043 0.000 0.904 611 L HN 0.163 nan 8.230 nan 0.000 0.435 612 R N -0.360 120.162 120.500 0.037 0.000 2.066 612 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 612 R C 2.281 178.602 176.300 0.035 0.000 1.131 612 R CA 1.567 57.681 56.100 0.023 0.000 0.955 612 R CB -0.059 30.246 30.300 0.009 0.000 0.851 612 R HN 0.056 nan 8.270 nan 0.000 0.432 613 K N 0.367 120.800 120.400 0.055 0.000 2.148 613 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 613 K C 1.667 178.324 176.600 0.094 0.000 1.050 613 K CA 1.505 57.837 56.287 0.075 0.000 0.942 613 K CB -0.204 32.351 32.500 0.092 0.000 0.724 613 K HN 0.298 nan 8.250 nan 0.000 0.446 614 A N 0.704 123.588 122.820 0.108 0.000 1.930 614 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 614 A C 2.113 179.704 177.584 0.012 0.000 1.175 614 A CA 1.518 53.585 52.037 0.051 0.000 0.627 614 A CB -0.525 18.503 19.000 0.048 0.000 0.815 614 A HN 0.419 nan 8.150 nan 0.000 0.443 615 E N 0.140 120.351 120.200 0.019 0.000 2.204 615 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 615 E C 1.848 178.451 176.600 0.004 0.000 0.989 615 E CA 1.216 57.618 56.400 0.005 0.000 0.824 615 E CB -0.157 29.546 29.700 0.005 0.000 0.756 615 E HN 0.789 nan 8.360 nan 0.000 0.477 616 E N 0.132 120.341 120.200 0.014 0.000 2.204 616 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 616 E C 2.229 178.835 176.600 0.010 0.000 0.990 616 E CA 0.603 57.011 56.400 0.013 0.000 0.821 616 E CB 0.038 29.750 29.700 0.021 0.000 0.750 616 E HN 0.279 nan 8.360 nan 0.000 0.477 617 L N 0.251 121.479 121.223 0.008 0.000 2.131 617 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 617 L C 2.459 179.323 176.870 -0.010 0.000 1.087 617 L CA 0.470 55.310 54.840 0.000 0.000 0.767 617 L CB -0.291 41.761 42.059 -0.010 0.000 0.917 617 L HN 0.209 nan 8.230 nan 0.000 0.441 618 L N -0.096 121.117 121.223 -0.017 0.000 2.046 618 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 618 L C 2.173 179.030 176.870 -0.022 0.000 1.077 618 L CA 1.457 56.281 54.840 -0.028 0.000 0.747 618 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 618 L HN 0.283 nan 8.230 nan 0.000 0.432 619 D N -0.802 119.591 120.400 -0.012 0.000 2.219 619 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 619 D C 2.129 178.425 176.300 -0.005 0.000 0.970 619 D CA 0.796 54.791 54.000 -0.008 0.000 0.851 619 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 619 D HN 0.142 nan 8.370 nan 0.000 0.488 620 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 620 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 620 Q C 0.007 176.007 176.000 -0.001 0.000 0.961 620 Q CA 0.296 56.099 55.803 0.000 0.000 0.945 620 Q CB -0.033 28.708 28.738 0.005 0.000 1.012 620 Q HN 0.366 nan 8.270 nan 0.000 0.515 621 N N -0.386 118.309 118.700 -0.008 0.000 2.814 621 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 621 N C -1.191 174.319 175.510 -0.000 0.000 1.089 621 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 621 N CB -1.697 36.787 38.487 -0.006 0.000 0.970 621 N HN -0.026 nan 8.380 nan 0.000 0.554 622 V N 1.724 121.637 119.914 -0.001 0.000 2.328 622 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 622 V C 0.914 177.026 176.094 0.029 0.000 1.021 622 V CA -0.767 61.544 62.300 0.018 0.000 0.838 622 V CB 1.321 33.149 31.823 0.008 0.000 0.999 622 V HN 0.331 nan 8.190 nan 0.000 0.447 623 H N 9.456 128.511 119.070 -0.025 0.000 3.167 623 H HA 0.001 4.557 4.556 0.000 0.000 0.306 623 H C -1.410 173.893 175.328 -0.041 0.000 0.965 623 H CA -1.104 54.928 56.048 -0.027 0.000 1.408 623 H CB 1.483 31.232 29.762 -0.022 0.000 1.406 623 H HN 0.373 nan 8.280 nan 0.000 0.576 624 P HA -0.157 nan 4.420 nan 0.000 0.219 624 P C 1.511 178.901 177.300 0.149 0.000 1.146 624 P CA 1.335 64.486 63.100 0.085 0.000 0.808 624 P CB 0.097 31.802 31.700 0.008 0.000 0.779 625 T N -0.797 113.963 114.554 0.343 0.000 2.881 625 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 625 T C 1.774 176.457 174.700 -0.028 0.000 1.068 625 T CA 0.839 62.964 62.100 0.041 0.000 1.131 625 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 625 T HN -0.007 nan 8.240 nan 0.000 0.479 626 I N 0.171 120.739 120.570 -0.003 0.000 2.233 626 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 626 I C 2.453 178.525 176.117 -0.076 0.000 1.093 626 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 626 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 626 I HN 0.087 nan 8.210 nan 0.000 0.413 627 V N 0.393 120.241 119.914 -0.109 0.000 2.287 627 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 627 V C 2.411 178.259 176.094 -0.410 0.000 1.053 627 V CA 1.879 64.007 62.300 -0.286 0.000 1.027 627 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 627 V HN 0.359 nan 8.190 nan 0.000 0.447 628 V N -0.305 119.486 119.914 -0.206 0.000 2.427 628 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 628 V C 2.580 178.654 176.094 -0.032 0.000 1.051 628 V CA 2.296 64.538 62.300 -0.098 0.000 1.048 628 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 628 V HN 0.507 nan 8.190 nan 0.000 0.456 629 K N 0.144 120.516 120.400 -0.047 0.000 2.025 629 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 629 K C 2.116 178.706 176.600 -0.017 0.000 1.049 629 K CA 1.691 57.961 56.287 -0.027 0.000 0.933 629 K CB -0.944 31.533 32.500 -0.038 0.000 0.714 629 K HN 0.555 nan 8.250 nan 0.000 0.438 630 G N 0.277 109.062 108.800 -0.025 0.000 2.440 630 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 630 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 630 G C 1.403 176.365 174.900 0.102 0.000 1.154 630 G CA 0.699 45.813 45.100 0.025 0.000 0.767 630 G HN 0.253 nan 8.290 nan 0.000 0.552 631 Y N 0.888 121.161 120.300 -0.046 0.000 2.200 631 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 631 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 631 Y CA 0.731 58.783 58.100 -0.080 0.000 1.163 631 Y CB -0.782 37.779 38.460 0.168 0.000 0.988 631 Y HN 0.199 nan 8.280 nan 0.000 0.518 632 Q N -0.305 119.530 119.800 0.058 0.000 2.030 632 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 632 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 632 Q CA 1.638 57.432 55.803 -0.014 0.000 0.843 632 Q CB -0.716 28.026 28.738 0.006 0.000 0.904 632 Q HN 0.451 nan 8.270 nan 0.000 0.420 633 A N 1.037 123.797 122.820 -0.100 0.000 1.883 633 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 633 A C 2.323 179.801 177.584 -0.176 0.000 1.186 633 A CA 2.163 54.135 52.037 -0.108 0.000 0.624 633 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 633 A HN 0.400 nan 8.150 nan 0.000 0.444 634 A N -0.341 122.292 122.820 -0.312 0.000 1.930 634 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 634 A C 2.490 179.708 177.584 -0.610 0.000 1.175 634 A CA 1.976 53.730 52.037 -0.471 0.000 0.627 634 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 634 A HN 1.038 nan 8.150 nan 0.000 0.443 635 A N -1.085 121.272 122.820 -0.771 0.000 1.877 635 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 635 A C 2.211 179.735 177.584 -0.101 0.000 1.186 635 A CA 1.790 53.634 52.037 -0.322 0.000 0.620 635 A CB -0.533 18.387 19.000 -0.132 0.000 0.822 635 A HN 0.506 nan 8.150 nan 0.000 0.443 636 Q N -0.126 119.612 119.800 -0.104 0.000 2.124 636 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 636 Q C 2.005 177.984 176.000 -0.035 0.000 0.977 636 Q CA 2.108 57.882 55.803 -0.049 0.000 0.850 636 Q CB -0.172 28.537 28.738 -0.049 0.000 0.901 636 Q HN 0.539 nan 8.270 nan 0.000 0.429 637 K N 0.377 120.747 120.400 -0.050 0.000 2.211 637 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 637 K C 1.749 178.375 176.600 0.043 0.000 1.050 637 K CA 1.230 57.514 56.287 -0.005 0.000 0.945 637 K CB -0.492 32.015 32.500 0.012 0.000 0.732 637 K HN 0.191 nan 8.250 nan 0.000 0.451 638 A N 0.584 123.425 122.820 0.034 0.000 1.933 638 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 638 A C 2.075 179.696 177.584 0.063 0.000 1.175 638 A CA 1.626 53.712 52.037 0.081 0.000 0.628 638 A CB -0.493 18.593 19.000 0.143 0.000 0.814 638 A HN 0.510 nan 8.150 nan 0.000 0.444 639 Q N -0.630 119.195 119.800 0.042 0.000 2.119 639 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 639 Q C 1.985 178.002 176.000 0.028 0.000 0.972 639 Q CA 1.554 57.376 55.803 0.032 0.000 0.847 639 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 639 Q HN 0.777 nan 8.270 nan 0.000 0.433 640 E N 0.584 120.800 120.200 0.026 0.000 2.051 640 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 640 E C 2.048 178.672 176.600 0.040 0.000 0.991 640 E CA 0.863 57.279 56.400 0.025 0.000 0.799 640 E CB -0.075 29.634 29.700 0.015 0.000 0.748 640 E HN 0.297 nan 8.360 nan 0.000 0.449 641 L N 0.460 121.720 121.223 0.060 0.000 2.083 641 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 641 L C 2.369 179.269 176.870 0.050 0.000 1.083 641 L CA 0.437 55.320 54.840 0.071 0.000 0.752 641 L CB -0.281 41.833 42.059 0.091 0.000 0.899 641 L HN 0.169 nan 8.230 nan 0.000 0.433 642 L N -0.093 121.155 121.223 0.042 0.000 2.046 642 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 642 L C 2.491 179.376 176.870 0.026 0.000 1.077 642 L CA 1.750 56.608 54.840 0.031 0.000 0.747 642 L CB -0.668 41.408 42.059 0.028 0.000 0.896 642 L HN 0.145 nan 8.230 nan 0.000 0.432 643 K N -1.580 118.835 120.400 0.025 0.000 2.148 643 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 643 K C 1.889 178.502 176.600 0.022 0.000 1.050 643 K CA 1.565 57.864 56.287 0.020 0.000 0.942 643 K CB -0.194 32.316 32.500 0.017 0.000 0.724 643 K HN 0.333 nan 8.250 nan 0.000 0.446 644 T N 1.769 116.340 114.554 0.028 0.000 2.851 644 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 644 T C 1.897 176.616 174.700 0.031 0.000 1.043 644 T CA 1.106 63.224 62.100 0.031 0.000 1.140 644 T CB -0.091 68.801 68.868 0.041 0.000 0.872 644 T HN 0.361 nan 8.240 nan 0.000 0.446 645 I N -0.098 120.493 120.570 0.034 0.000 3.226 645 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 645 I C 1.146 177.280 176.117 0.028 0.000 1.243 645 I CA -0.460 60.861 61.300 0.035 0.000 1.459 645 I CB -0.525 37.500 38.000 0.042 0.000 1.093 645 I HN -0.050 nan 8.210 nan 0.000 0.453 646 A N 1.514 124.348 122.820 0.023 0.000 2.567 646 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 646 A C 0.202 177.796 177.584 0.016 0.000 1.053 646 A CA -0.010 52.038 52.037 0.018 0.000 0.755 646 A CB -0.246 18.763 19.000 0.015 0.000 0.978 646 A HN 0.640 nan 8.150 nan 0.000 0.507 647 C N 4.083 123.392 119.300 0.015 0.000 2.281 647 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 647 C C 0.282 175.278 174.990 0.010 0.000 1.217 647 C CA -0.738 58.288 59.018 0.013 0.000 1.730 647 C CB -1.484 26.264 27.740 0.013 0.000 2.338 647 C HN 0.886 nan 8.230 nan 0.000 0.521 648 E N 3.296 123.501 120.200 0.009 0.000 2.360 648 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 648 E C 0.111 176.715 176.600 0.007 0.000 1.022 648 E CA 0.113 56.517 56.400 0.008 0.000 0.887 648 E CB 0.913 30.617 29.700 0.007 0.000 0.990 648 E HN 0.677 nan 8.360 nan 0.000 0.426 649 V N -0.930 118.988 119.914 0.006 0.000 3.130 649 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 649 V C 0.381 176.478 176.094 0.005 0.000 1.158 649 V CA -1.243 61.060 62.300 0.006 0.000 1.029 649 V CB 1.804 33.630 31.823 0.006 0.000 1.057 649 V HN 0.653 nan 8.190 nan 0.000 0.436 650 G N 0.524 109.327 108.800 0.005 0.000 2.335 650 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 650 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 650 G C 1.012 175.915 174.900 0.005 0.000 1.228 650 G CA 0.235 45.337 45.100 0.004 0.000 0.968 650 G HN 1.663 nan 8.290 nan 0.000 0.459 651 A N 2.760 125.582 122.820 0.004 0.000 1.917 651 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 651 A C 1.949 179.536 177.584 0.005 0.000 1.182 651 A CA 1.516 53.556 52.037 0.004 0.000 0.633 651 A CB -0.124 18.878 19.000 0.004 0.000 0.819 651 A HN 0.658 nan 8.150 nan 0.000 0.448 652 Q N -0.309 119.494 119.800 0.005 0.000 2.201 652 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 652 Q C -0.712 175.292 176.000 0.006 0.000 0.857 652 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 652 Q CB 0.361 29.102 28.738 0.005 0.000 1.124 652 Q HN 0.559 nan 8.270 nan 0.000 0.473 653 D N 1.340 121.743 120.400 0.006 0.000 2.382 653 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 653 D C 0.906 177.211 176.300 0.007 0.000 1.224 653 D CA 0.277 54.280 54.000 0.006 0.000 0.894 653 D CB 1.170 41.973 40.800 0.006 0.000 1.127 653 D HN -0.073 nan 8.370 nan 0.000 0.487 654 K N 3.978 124.383 120.400 0.008 0.000 2.000 654 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 654 K C 1.622 178.227 176.600 0.009 0.000 1.053 654 K CA 2.119 58.411 56.287 0.008 0.000 0.946 654 K CB -0.314 32.191 32.500 0.008 0.000 0.723 654 K HN 0.422 nan 8.250 nan 0.000 0.446 655 E N 0.304 120.509 120.200 0.008 0.000 2.049 655 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 655 E C 1.979 178.584 176.600 0.009 0.000 1.007 655 E CA 2.101 58.506 56.400 0.008 0.000 0.809 655 E CB -0.377 29.327 29.700 0.007 0.000 0.749 655 E HN 0.470 nan 8.360 nan 0.000 0.450 656 I N -0.046 120.529 120.570 0.008 0.000 2.361 656 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 656 I C 1.868 177.990 176.117 0.010 0.000 1.133 656 I CA 0.310 61.615 61.300 0.009 0.000 1.413 656 I CB -0.165 37.840 38.000 0.008 0.000 1.073 656 I HN 0.189 nan 8.210 nan 0.000 0.424 657 L N 0.236 121.465 121.223 0.009 0.000 2.046 657 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 657 L C 2.578 179.455 176.870 0.011 0.000 1.077 657 L CA 1.970 56.816 54.840 0.010 0.000 0.747 657 L CB -1.271 40.793 42.059 0.010 0.000 0.896 657 L HN 0.184 nan 8.230 nan 0.000 0.432 658 T N -1.351 113.209 114.554 0.011 0.000 2.833 658 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 658 T C 1.992 176.700 174.700 0.014 0.000 1.054 658 T CA 1.123 63.230 62.100 0.012 0.000 1.135 658 T CB -0.026 68.848 68.868 0.011 0.000 0.869 658 T HN 0.061 nan 8.240 nan 0.000 0.466 659 K N 0.900 121.308 120.400 0.014 0.000 2.057 659 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 659 K C 1.997 178.608 176.600 0.018 0.000 1.050 659 K CA 0.788 57.085 56.287 0.016 0.000 0.935 659 K CB -0.463 32.045 32.500 0.014 0.000 0.715 659 K HN 0.339 nan 8.250 nan 0.000 0.439 660 I N 0.191 120.770 120.570 0.015 0.000 2.142 660 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 660 I C 2.224 178.352 176.117 0.019 0.000 1.078 660 I CA 1.348 62.658 61.300 0.016 0.000 1.343 660 I CB -0.439 37.568 38.000 0.013 0.000 1.046 660 I HN 0.146 nan 8.210 nan 0.000 0.405 661 A N 0.573 123.403 122.820 0.017 0.000 1.841 661 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 661 A C 2.431 180.027 177.584 0.020 0.000 1.199 661 A CA 2.193 54.240 52.037 0.017 0.000 0.621 661 A CB -0.849 18.160 19.000 0.014 0.000 0.835 661 A HN 0.433 nan 8.150 nan 0.000 0.445 662 M N -0.649 118.962 119.600 0.020 0.000 2.149 662 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 662 M C 2.057 178.376 176.300 0.031 0.000 1.064 662 M CA 2.145 57.458 55.300 0.021 0.000 1.102 662 M CB -0.353 32.258 32.600 0.019 0.000 1.369 662 M HN 0.496 nan 8.290 nan 0.000 0.408 663 T N 0.034 114.610 114.554 0.037 0.000 2.788 663 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 663 T C 1.820 176.562 174.700 0.069 0.000 1.044 663 T CA 1.748 63.880 62.100 0.054 0.000 1.139 663 T CB -0.190 68.704 68.868 0.043 0.000 0.867 663 T HN 0.447 nan 8.240 nan 0.000 0.454 664 S N 1.149 116.879 115.700 0.050 0.000 2.345 664 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 664 S C 2.061 176.689 174.600 0.047 0.000 1.031 664 S CA 0.921 59.151 58.200 0.051 0.000 0.996 664 S CB -0.397 62.823 63.200 0.034 0.000 0.882 664 S HN 0.421 nan 8.310 nan 0.000 0.445 665 I N 1.796 122.385 120.570 0.030 0.000 2.286 665 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 665 I C 1.141 177.261 176.117 0.005 0.000 1.115 665 I CA 0.650 61.958 61.300 0.014 0.000 1.392 665 I CB -1.018 36.987 38.000 0.009 0.000 1.065 665 I HN 0.330 nan 8.210 nan 0.000 0.418 666 T N 0.093 114.658 114.554 0.019 0.000 2.934 666 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 666 T C 1.091 175.766 174.700 -0.042 0.000 1.042 666 T CA 0.138 62.239 62.100 0.001 0.000 1.145 666 T CB 1.107 69.998 68.868 0.037 0.000 0.982 666 T HN 0.645 nan 8.240 nan 0.000 0.544 667 G N 1.943 110.662 108.800 -0.134 0.000 2.157 667 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 667 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 667 G C -0.066 174.720 174.900 -0.190 0.000 0.982 667 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 667 G HN 0.905 nan 8.290 nan 0.000 0.527 668 K N -0.950 119.385 120.400 -0.108 0.000 2.352 668 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 668 K C 1.610 178.166 176.600 -0.074 0.000 1.017 668 K CA -0.556 55.682 56.287 -0.081 0.000 0.851 668 K CB 1.269 33.739 32.500 -0.049 0.000 1.261 668 K HN 0.174 nan 8.250 nan 0.000 0.451 669 G N 0.514 109.270 108.800 -0.074 0.000 2.442 669 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 669 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 669 G C 1.206 176.077 174.900 -0.049 0.000 1.141 669 G CA 1.262 46.323 45.100 -0.066 0.000 0.763 669 G HN 0.613 nan 8.290 nan 0.000 0.554 670 A N 0.275 123.069 122.820 -0.043 0.000 2.209 670 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 670 A C 2.018 179.588 177.584 -0.024 0.000 1.158 670 A CA 1.456 53.476 52.037 -0.028 0.000 0.742 670 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 670 A HN 0.369 nan 8.150 nan 0.000 0.472 671 E N 0.964 121.145 120.200 -0.031 0.000 2.267 671 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 671 E C 1.150 177.738 176.600 -0.020 0.000 0.998 671 E CA 0.912 57.296 56.400 -0.026 0.000 0.830 671 E CB -0.114 29.562 29.700 -0.040 0.000 0.751 671 E HN 0.443 nan 8.360 nan 0.000 0.491 672 K N -0.164 120.223 120.400 -0.021 0.000 2.160 672 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 672 K C 1.257 177.850 176.600 -0.010 0.000 1.047 672 K CA 1.250 57.528 56.287 -0.016 0.000 0.930 672 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 672 K HN 0.112 nan 8.250 nan 0.000 0.450 673 A N 1.450 124.265 122.820 -0.009 0.000 2.855 673 A HA 0.107 4.427 4.320 -0.000 0.000 0.301 673 A C 1.311 178.894 177.584 -0.002 0.000 1.076 673 A CA -0.447 51.587 52.037 -0.004 0.000 1.004 673 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 673 A HN 0.272 nan 8.150 nan 0.000 0.531 674 K N -0.174 120.225 120.400 -0.002 0.000 2.147 674 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 674 K C 0.929 177.532 176.600 0.005 0.000 1.049 674 K CA 1.813 58.101 56.287 0.002 0.000 0.936 674 K CB -0.074 32.428 32.500 0.002 0.000 0.722 674 K HN 0.313 nan 8.250 nan 0.000 0.446 675 E N 1.624 121.827 120.200 0.004 0.000 2.028 675 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 675 E C 1.985 178.589 176.600 0.006 0.000 0.988 675 E CA 1.377 57.781 56.400 0.006 0.000 0.799 675 E CB -0.051 29.652 29.700 0.005 0.000 0.755 675 E HN 0.372 nan 8.360 nan 0.000 0.447 676 K N 0.218 120.621 120.400 0.005 0.000 2.026 676 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 676 K C 1.808 178.413 176.600 0.008 0.000 1.048 676 K CA 0.896 57.187 56.287 0.007 0.000 0.929 676 K CB -0.049 32.454 32.500 0.006 0.000 0.713 676 K HN -0.003 nan 8.250 nan 0.000 0.439 677 L N 1.064 122.291 121.223 0.008 0.000 2.046 677 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 677 L C 2.470 179.346 176.870 0.010 0.000 1.077 677 L CA 1.983 56.829 54.840 0.009 0.000 0.747 677 L CB -1.057 41.006 42.059 0.007 0.000 0.896 677 L HN 0.254 nan 8.230 nan 0.000 0.432 678 A N -0.997 121.829 122.820 0.010 0.000 1.933 678 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 678 A C 2.305 179.896 177.584 0.011 0.000 1.175 678 A CA 1.714 53.758 52.037 0.011 0.000 0.628 678 A CB -0.456 18.551 19.000 0.012 0.000 0.814 678 A HN 0.406 nan 8.150 nan 0.000 0.444 679 E N 0.736 120.943 120.200 0.011 0.000 2.028 679 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 679 E C 1.867 178.474 176.600 0.013 0.000 0.988 679 E CA 1.726 58.133 56.400 0.011 0.000 0.799 679 E CB -0.501 29.206 29.700 0.010 0.000 0.755 679 E HN 0.724 nan 8.360 nan 0.000 0.447 680 I N -1.462 119.116 120.570 0.013 0.000 2.286 680 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 680 I C 2.220 178.346 176.117 0.015 0.000 1.115 680 I CA 1.268 62.576 61.300 0.015 0.000 1.392 680 I CB -0.455 37.555 38.000 0.016 0.000 1.065 680 I HN 0.038 nan 8.210 nan 0.000 0.418 681 I N 0.966 121.544 120.570 0.013 0.000 2.202 681 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 681 I C 2.659 178.783 176.117 0.012 0.000 1.091 681 I CA 1.024 62.331 61.300 0.013 0.000 1.368 681 I CB -0.276 37.731 38.000 0.012 0.000 1.058 681 I HN 0.085 nan 8.210 nan 0.000 0.410 682 V N 0.829 120.750 119.914 0.012 0.000 2.343 682 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 682 V C 2.522 178.624 176.094 0.013 0.000 1.051 682 V CA 2.151 64.458 62.300 0.012 0.000 1.036 682 V CB -0.581 31.249 31.823 0.012 0.000 0.654 682 V HN 0.436 nan 8.190 nan 0.000 0.451 683 E N 0.883 121.091 120.200 0.015 0.000 2.072 683 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 683 E C 2.114 178.725 176.600 0.018 0.000 0.985 683 E CA 1.673 58.083 56.400 0.017 0.000 0.801 683 E CB -0.505 29.206 29.700 0.018 0.000 0.750 683 E HN 0.484 nan 8.360 nan 0.000 0.452 684 A N 0.228 123.058 122.820 0.016 0.000 1.883 684 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 684 A C 2.529 180.121 177.584 0.014 0.000 1.186 684 A CA 1.943 53.989 52.037 0.015 0.000 0.624 684 A CB -0.964 18.044 19.000 0.013 0.000 0.822 684 A HN 0.206 nan 8.150 nan 0.000 0.444 685 V N -0.472 119.449 119.914 0.012 0.000 2.295 685 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 685 V C 2.793 178.893 176.094 0.011 0.000 1.049 685 V CA 2.325 64.631 62.300 0.010 0.000 1.024 685 V CB -0.925 30.904 31.823 0.009 0.000 0.648 685 V HN 0.664 nan 8.190 nan 0.000 0.447 686 S N -0.217 115.490 115.700 0.012 0.000 2.383 686 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 686 S C 2.074 176.683 174.600 0.015 0.000 1.030 686 S CA 1.702 59.909 58.200 0.012 0.000 1.002 686 S CB -0.312 62.896 63.200 0.014 0.000 0.829 686 S HN 0.622 nan 8.310 nan 0.000 0.467 687 A N 0.836 123.668 122.820 0.020 0.000 1.898 687 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 687 A C 2.370 179.967 177.584 0.021 0.000 1.181 687 A CA 1.737 53.790 52.037 0.027 0.000 0.620 687 A CB -0.938 18.082 19.000 0.034 0.000 0.819 687 A HN 0.945 nan 8.150 nan 0.000 0.442 688 V N -3.170 116.753 119.914 0.015 0.000 2.951 688 V HA -0.000 4.120 4.120 -0.000 0.000 0.255 688 V C 2.059 178.157 176.094 0.006 0.000 1.088 688 V CA 1.433 63.739 62.300 0.010 0.000 1.109 688 V CB -0.540 31.287 31.823 0.007 0.000 0.724 688 V HN 0.179 nan 8.190 nan 0.000 0.471 689 V N 0.587 120.505 119.914 0.006 0.000 2.626 689 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 689 V C 1.699 177.793 176.094 0.000 0.000 1.067 689 V CA 2.446 64.748 62.300 0.003 0.000 1.081 689 V CB -0.516 31.309 31.823 0.004 0.000 0.686 689 V HN 0.850 nan 8.190 nan 0.000 0.468 690 D N -0.732 119.668 120.400 -0.000 0.000 4.508 690 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 690 D C 0.637 176.933 176.300 -0.007 0.000 0.644 690 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 690 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 690 D HN 0.577 nan 8.370 nan 0.000 0.495 691 D N 1.330 121.726 120.400 -0.007 0.000 2.377 691 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 691 D C -0.213 176.085 176.300 -0.003 0.000 1.196 691 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 691 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 691 D HN 0.290 nan 8.370 nan 0.000 0.471 692 E N 0.339 120.538 120.200 -0.003 0.000 2.136 692 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 692 E C -0.924 175.675 176.600 -0.001 0.000 1.017 692 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 692 E CB -0.415 29.285 29.700 -0.001 0.000 1.199 692 E HN 0.494 nan 8.360 nan 0.000 0.447 693 G N 2.371 111.171 108.800 -0.000 0.000 2.405 693 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 693 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 693 G C -1.922 172.978 174.900 0.000 0.000 1.644 693 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 693 G HN 0.210 nan 8.290 nan 0.000 0.667 694 K N 0.370 120.770 120.400 -0.000 0.000 2.427 694 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 694 K C -1.290 175.311 176.600 0.001 0.000 0.931 694 K CA -0.776 55.511 56.287 0.000 0.000 0.793 694 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 694 K HN 1.019 nan 8.250 nan 0.000 0.426 695 V N 2.885 122.799 119.914 0.001 0.000 2.555 695 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 695 V C -1.579 174.515 176.094 0.001 0.000 1.038 695 V CA -0.525 61.776 62.300 0.001 0.000 0.887 695 V CB 1.843 33.667 31.823 0.003 0.000 0.991 695 V HN 0.894 nan 8.190 nan 0.000 0.434 696 D N 4.698 125.098 120.400 0.000 0.000 2.461 696 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 696 D C 0.771 177.070 176.300 -0.001 0.000 1.094 696 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 696 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 696 D HN 0.657 nan 8.370 nan 0.000 0.530 697 K N 2.597 122.997 120.400 -0.001 0.000 2.520 697 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 697 K C 0.823 177.421 176.600 -0.003 0.000 1.043 697 K CA 0.880 57.166 56.287 -0.001 0.000 0.944 697 K CB 0.235 32.735 32.500 0.000 0.000 0.770 697 K HN 0.281 nan 8.250 nan 0.000 0.480 698 D N 0.229 120.626 120.400 -0.005 0.000 2.264 698 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 698 D C 1.319 177.613 176.300 -0.011 0.000 0.966 698 D CA 0.732 54.727 54.000 -0.009 0.000 0.864 698 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 698 D HN 0.258 nan 8.370 nan 0.000 0.499 699 L N -0.106 121.112 121.223 -0.008 0.000 2.591 699 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 699 L C 0.269 177.135 176.870 -0.007 0.000 1.133 699 L CA 0.122 54.957 54.840 -0.009 0.000 0.880 699 L CB 0.143 42.199 42.059 -0.004 0.000 1.033 699 L HN 0.011 nan 8.230 nan 0.000 0.450 700 I N 0.701 121.267 120.570 -0.006 0.000 2.405 700 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 700 I C 0.126 176.239 176.117 -0.008 0.000 1.027 700 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 700 I CB 1.260 39.260 38.000 0.001 0.000 1.300 700 I HN -0.006 nan 8.210 nan 0.000 0.463 701 K N 6.352 126.744 120.400 -0.013 0.000 2.185 701 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 701 K C -0.738 175.854 176.600 -0.013 0.000 1.013 701 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 701 K CB 1.060 33.541 32.500 -0.031 0.000 0.998 701 K HN 0.437 nan 8.250 nan 0.000 0.468 702 I N 3.930 124.492 120.570 -0.012 0.000 2.390 702 I HA 0.166 4.335 4.170 -0.000 0.000 0.283 702 I C -0.557 175.554 176.117 -0.010 0.000 1.016 702 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 702 I CB 0.979 38.978 38.000 -0.000 0.000 1.293 702 I HN 0.686 nan 8.210 nan 0.000 0.458 703 E N 7.559 127.752 120.200 -0.013 0.000 2.151 703 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 703 E C -0.888 175.712 176.600 0.000 0.000 0.936 703 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 703 E CB 1.142 30.818 29.700 -0.040 0.000 1.108 703 E HN 0.539 nan 8.360 nan 0.000 0.401 704 K N 2.783 123.185 120.400 0.004 0.000 2.471 704 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 704 K C -1.120 175.491 176.600 0.017 0.000 0.938 704 K CA -1.165 55.131 56.287 0.015 0.000 0.796 704 K CB 1.632 34.142 32.500 0.016 0.000 1.161 704 K HN 0.179 nan 8.250 nan 0.000 0.425 705 K N 1.874 122.289 120.400 0.025 0.000 2.578 705 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 705 K C -1.019 175.598 176.600 0.030 0.000 0.955 705 K CA -0.376 55.928 56.287 0.028 0.000 0.825 705 K CB 2.072 34.593 32.500 0.035 0.000 1.151 705 K HN 0.701 nan 8.250 nan 0.000 0.432 706 S N 2.628 118.344 115.700 0.027 0.000 2.563 706 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 706 S C 0.110 174.725 174.600 0.025 0.000 1.331 706 S CA 1.270 59.485 58.200 0.025 0.000 1.047 706 S CB -0.146 63.070 63.200 0.026 0.000 0.859 706 S HN 1.087 nan 8.310 nan 0.000 0.514 707 G N 1.504 110.317 108.800 0.021 0.000 2.375 707 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 707 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 707 G C -0.115 174.796 174.900 0.018 0.000 1.391 707 G CA -0.010 45.101 45.100 0.020 0.000 0.949 707 G HN 2.128 nan 8.290 nan 0.000 0.646 708 A N -0.625 122.203 122.820 0.014 0.000 5.949 708 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 708 A C 1.158 178.746 177.584 0.008 0.000 2.055 708 A CA 1.932 53.975 52.037 0.010 0.000 0.713 708 A CB -1.612 17.396 19.000 0.013 0.000 1.146 708 A HN 2.691 nan 8.150 nan 0.000 0.370 709 S N -2.944 112.759 115.700 0.005 0.000 2.806 709 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 709 S C 1.073 175.674 174.600 0.003 0.000 1.127 709 S CA 0.218 58.419 58.200 0.002 0.000 0.918 709 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 709 S HN 1.905 nan 8.310 nan 0.000 0.552 710 I N 1.868 122.437 120.570 -0.002 0.000 2.493 710 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 710 I C 1.283 177.400 176.117 0.000 0.000 1.160 710 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 710 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 710 I HN 0.581 nan 8.210 nan 0.000 0.433 711 D N 0.696 121.095 120.400 -0.001 0.000 2.178 711 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 711 D C 1.560 177.861 176.300 0.003 0.000 0.980 711 D CA 1.343 55.343 54.000 -0.000 0.000 0.842 711 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 711 D HN 0.444 nan 8.370 nan 0.000 0.472 712 D N -0.351 120.052 120.400 0.005 0.000 2.348 712 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 712 D C 0.363 176.672 176.300 0.016 0.000 0.970 712 D CA 0.500 54.505 54.000 0.009 0.000 0.889 712 D CB -0.045 40.761 40.800 0.010 0.000 0.912 712 D HN 0.020 nan 8.370 nan 0.000 0.524 713 T N 1.323 115.887 114.554 0.016 0.000 2.908 713 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 713 T C 0.319 175.033 174.700 0.024 0.000 1.092 713 T CA 0.286 62.399 62.100 0.022 0.000 1.125 713 T CB 0.423 69.300 68.868 0.016 0.000 1.016 713 T HN 0.318 nan 8.240 nan 0.000 0.550 714 E N 0.754 120.974 120.200 0.033 0.000 2.429 714 E HA 0.555 4.905 4.350 -0.000 0.000 0.280 714 E C -1.814 174.810 176.600 0.040 0.000 1.068 714 E CA -1.082 55.339 56.400 0.034 0.000 0.837 714 E CB 0.970 30.692 29.700 0.037 0.000 1.357 714 E HN 0.349 nan 8.360 nan 0.000 0.455 715 L N 1.223 122.468 121.223 0.036 0.000 2.317 715 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 715 L C -1.532 175.366 176.870 0.047 0.000 1.024 715 L CA -0.552 54.310 54.840 0.037 0.000 0.810 715 L CB 1.345 43.419 42.059 0.026 0.000 1.240 715 L HN 0.626 nan 8.230 nan 0.000 0.427 716 I N 4.311 124.914 120.570 0.054 0.000 2.411 716 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 716 I C -0.226 175.918 176.117 0.046 0.000 1.012 716 I CA -0.476 60.865 61.300 0.069 0.000 1.119 716 I CB 1.358 39.429 38.000 0.118 0.000 1.261 716 I HN 0.419 nan 8.210 nan 0.000 0.448 717 K N 4.798 125.220 120.400 0.036 0.000 2.199 717 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 717 K C 0.428 177.041 176.600 0.023 0.000 1.237 717 K CA 0.067 56.368 56.287 0.024 0.000 1.170 717 K CB -0.338 32.171 32.500 0.013 0.000 1.418 717 K HN 0.874 nan 8.250 nan 0.000 0.255 718 G N -1.402 107.411 108.800 0.023 0.000 2.441 718 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 718 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 718 G C -1.617 173.283 174.900 -0.001 0.000 1.200 718 G CA -0.630 44.480 45.100 0.017 0.000 0.947 718 G HN 0.064 nan 8.290 nan 0.000 0.484 719 V N 0.382 120.286 119.914 -0.016 0.000 3.007 719 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 719 V C -0.875 175.144 176.094 -0.125 0.000 1.120 719 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 719 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 719 V HN 0.829 nan 8.190 nan 0.000 0.429 720 L N 4.053 125.160 121.223 -0.194 0.000 2.345 720 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 720 L C -1.204 175.506 176.870 -0.266 0.000 0.999 720 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 720 L CB 1.460 43.228 42.059 -0.485 0.000 1.220 720 L HN 0.487 nan 8.230 nan 0.000 0.422 721 V N 3.325 123.099 119.914 -0.234 0.000 2.472 721 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 721 V C -0.220 175.809 176.094 -0.108 0.000 1.037 721 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 721 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 721 V HN 0.778 nan 8.190 nan 0.000 0.454 722 D N 3.409 123.769 120.400 -0.066 0.000 2.896 722 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 722 D C -0.142 176.155 176.300 -0.005 0.000 1.193 722 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 722 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 722 D HN 0.500 nan 8.370 nan 0.000 0.496 723 K N -0.088 120.318 120.400 0.010 0.000 2.439 723 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 723 K C -0.633 175.988 176.600 0.034 0.000 1.032 723 K CA -0.919 55.386 56.287 0.031 0.000 0.882 723 K CB 2.544 35.080 32.500 0.059 0.000 1.420 723 K HN 0.088 nan 8.250 nan 0.000 0.455 724 E N 0.706 120.923 120.200 0.029 0.000 2.320 724 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 724 E C -1.071 175.533 176.600 0.007 0.000 0.923 724 E CA -0.840 55.574 56.400 0.024 0.000 0.796 724 E CB 1.566 31.278 29.700 0.020 0.000 1.262 724 E HN 0.288 nan 8.360 nan 0.000 0.428 725 R N 1.826 122.327 120.500 0.002 0.000 2.404 725 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 725 R C 1.089 177.378 176.300 -0.018 0.000 1.032 725 R CA -0.225 55.862 56.100 -0.022 0.000 0.992 725 R CB 0.470 30.760 30.300 -0.016 0.000 0.959 725 R HN 0.376 nan 8.270 nan 0.000 0.428 726 V N 1.773 121.667 119.914 -0.032 0.000 2.380 726 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 726 V C 1.211 177.299 176.094 -0.010 0.000 1.063 726 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 726 V CB -0.240 31.561 31.823 -0.036 0.000 0.657 726 V HN 0.709 nan 8.190 nan 0.000 0.455 727 S N -1.411 114.285 115.700 -0.007 0.000 2.501 727 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 727 S C 0.872 175.478 174.600 0.011 0.000 1.096 727 S CA -0.186 58.022 58.200 0.012 0.000 1.063 727 S CB 1.894 65.111 63.200 0.029 0.000 1.042 727 S HN 0.311 nan 8.310 nan 0.000 0.494 728 A N 3.443 126.272 122.820 0.015 0.000 1.930 728 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 728 A C 1.920 179.509 177.584 0.009 0.000 1.175 728 A CA 1.022 53.065 52.037 0.010 0.000 0.627 728 A CB -0.475 18.529 19.000 0.008 0.000 0.815 728 A HN 0.806 nan 8.150 nan 0.000 0.443 729 Q N -0.490 119.318 119.800 0.013 0.000 2.472 729 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 729 Q C 0.493 176.501 176.000 0.014 0.000 0.958 729 Q CA 0.208 56.018 55.803 0.011 0.000 0.932 729 Q CB -0.339 28.406 28.738 0.010 0.000 1.007 729 Q HN 0.692 nan 8.270 nan 0.000 0.508 730 M N 1.795 121.403 119.600 0.013 0.000 2.248 730 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 730 M C -1.948 174.355 176.300 0.006 0.000 1.121 730 M CA -1.430 53.874 55.300 0.008 0.000 1.155 730 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 730 M HN -0.194 nan 8.290 nan 0.000 0.452 731 P HA 0.003 nan 4.420 nan 0.000 0.267 731 P C -0.328 176.977 177.300 0.007 0.000 1.200 731 P CA 0.195 63.299 63.100 0.007 0.000 0.772 731 P CB 0.469 32.173 31.700 0.007 0.000 0.855 732 K N 1.269 121.674 120.400 0.008 0.000 2.393 732 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 732 K C 0.090 176.698 176.600 0.014 0.000 1.026 732 K CA 0.434 56.728 56.287 0.011 0.000 1.064 732 K CB 0.183 32.689 32.500 0.009 0.000 0.833 732 K HN 0.142 nan 8.250 nan 0.000 0.521 733 K N 0.249 120.656 120.400 0.012 0.000 2.571 733 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 733 K C -2.223 174.385 176.600 0.013 0.000 0.956 733 K CA -0.657 55.638 56.287 0.013 0.000 0.822 733 K CB 2.037 34.542 32.500 0.008 0.000 1.286 733 K HN -0.117 nan 8.250 nan 0.000 0.439 734 V N 3.896 123.821 119.914 0.018 0.000 2.638 734 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 734 V C -1.257 174.849 176.094 0.020 0.000 1.052 734 V CA -0.029 62.282 62.300 0.018 0.000 0.885 734 V CB 1.984 33.819 31.823 0.021 0.000 0.999 734 V HN 0.953 nan 8.190 nan 0.000 0.424 735 T N 1.542 116.105 114.554 0.016 0.000 2.855 735 T HA 0.516 4.866 4.350 -0.000 0.000 0.281 735 T C 0.029 174.739 174.700 0.016 0.000 1.007 735 T CA 0.175 62.284 62.100 0.015 0.000 1.009 735 T CB 1.258 70.132 68.868 0.010 0.000 0.983 735 T HN 1.075 nan 8.240 nan 0.000 0.455 736 D N 0.672 121.082 120.400 0.016 0.000 2.689 736 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 736 D C 0.396 176.709 176.300 0.022 0.000 1.148 736 D CA 0.875 54.885 54.000 0.017 0.000 0.656 736 D CB -1.216 39.592 40.800 0.013 0.000 1.050 736 D HN 1.121 nan 8.370 nan 0.000 0.426 737 A N 1.318 124.155 122.820 0.028 0.000 2.498 737 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 737 A C 0.536 178.143 177.584 0.038 0.000 1.068 737 A CA 0.231 52.289 52.037 0.035 0.000 0.766 737 A CB 0.577 19.605 19.000 0.046 0.000 1.003 737 A HN 0.162 nan 8.150 nan 0.000 0.497 738 K N 2.486 122.909 120.400 0.038 0.000 2.389 738 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 738 K C -1.253 175.379 176.600 0.054 0.000 1.014 738 K CA -0.211 56.100 56.287 0.040 0.000 0.920 738 K CB 1.061 33.579 32.500 0.031 0.000 1.149 738 K HN 0.537 nan 8.250 nan 0.000 0.444 739 I N 1.931 122.544 120.570 0.072 0.000 2.365 739 I HA 0.300 4.469 4.170 -0.000 0.000 0.291 739 I C 0.352 176.531 176.117 0.102 0.000 1.004 739 I CA -0.375 60.992 61.300 0.111 0.000 1.311 739 I CB 1.584 39.678 38.000 0.156 0.000 1.401 739 I HN 0.486 nan 8.210 nan 0.000 0.491 740 A N 6.444 129.334 122.820 0.117 0.000 2.318 740 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 740 A C -1.130 176.543 177.584 0.147 0.000 1.170 740 A CA -0.516 51.581 52.037 0.099 0.000 0.810 740 A CB 0.974 20.013 19.000 0.066 0.000 1.198 740 A HN 0.600 nan 8.150 nan 0.000 0.484 741 L N 3.649 124.938 121.223 0.109 0.000 2.324 741 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 741 L C -1.213 175.701 176.870 0.073 0.000 1.012 741 L CA -0.011 54.895 54.840 0.110 0.000 0.859 741 L CB 0.516 42.610 42.059 0.057 0.000 1.224 741 L HN 0.646 nan 8.230 nan 0.000 0.429 742 L N 4.213 125.485 121.223 0.082 0.000 2.334 742 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 742 L C 0.805 177.706 176.870 0.052 0.000 1.014 742 L CA -0.464 54.409 54.840 0.054 0.000 0.815 742 L CB 1.835 43.922 42.059 0.046 0.000 1.268 742 L HN 0.600 nan 8.230 nan 0.000 0.428 743 N N 0.527 119.248 118.700 0.035 0.000 2.397 743 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 743 N C 0.249 175.773 175.510 0.023 0.000 1.099 743 N CA -0.159 52.908 53.050 0.029 0.000 0.876 743 N CB 0.593 39.092 38.487 0.021 0.000 1.143 743 N HN 0.580 nan 8.380 nan 0.000 0.468 744 C N 2.493 121.805 119.300 0.021 0.000 2.644 744 C HA 0.655 5.115 4.460 -0.000 0.000 0.417 744 C C 1.004 176.003 174.990 0.016 0.000 1.304 744 C CA -0.712 58.315 59.018 0.016 0.000 2.035 744 C CB -0.814 26.935 27.740 0.016 0.000 2.673 744 C HN 0.430 nan 8.230 nan 0.000 0.602 745 A N 6.617 129.444 122.820 0.011 0.000 2.462 745 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 745 A C 0.253 177.841 177.584 0.006 0.000 1.076 745 A CA -0.128 51.913 52.037 0.007 0.000 0.773 745 A CB 0.058 19.060 19.000 0.002 0.000 1.010 745 A HN 0.799 nan 8.150 nan 0.000 0.493 746 I N 3.271 123.842 120.570 0.003 0.000 2.234 746 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 746 I C 0.618 176.734 176.117 -0.001 0.000 1.131 746 I CA 0.431 61.734 61.300 0.005 0.000 1.335 746 I CB -1.473 36.530 38.000 0.006 0.000 1.511 746 I HN 0.887 nan 8.210 nan 0.000 0.588 747 E N 3.744 123.945 120.200 0.002 0.000 2.431 747 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 747 E C -0.668 175.936 176.600 0.008 0.000 0.953 747 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 747 E CB 1.972 31.668 29.700 -0.006 0.000 1.369 747 E HN -0.038 nan 8.360 nan 0.000 0.440 748 I N 2.405 122.980 120.570 0.009 0.000 2.483 748 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 748 I C 0.384 176.509 176.117 0.013 0.000 1.112 748 I CA -0.156 61.153 61.300 0.016 0.000 1.350 748 I CB -0.506 37.505 38.000 0.018 0.000 1.419 748 I HN 0.411 nan 8.210 nan 0.000 0.523 749 K N 5.937 126.346 120.400 0.015 0.000 2.414 749 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 749 K C 0.264 176.872 176.600 0.014 0.000 0.993 749 K CA -0.114 56.181 56.287 0.013 0.000 0.964 749 K CB 1.084 33.592 32.500 0.014 0.000 0.925 749 K HN 0.425 nan 8.250 nan 0.000 0.487 750 E N 0.941 121.147 120.200 0.009 0.000 2.288 750 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 750 E C -0.425 176.180 176.600 0.008 0.000 0.885 750 E CA -0.612 55.792 56.400 0.008 0.000 0.767 750 E CB 1.770 31.472 29.700 0.002 0.000 1.220 750 E HN 0.622 nan 8.360 nan 0.000 0.427 751 T N -0.285 114.274 114.554 0.008 0.000 2.903 751 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 751 T C 1.072 175.774 174.700 0.004 0.000 1.078 751 T CA -0.433 61.672 62.100 0.008 0.000 1.114 751 T CB 0.959 69.833 68.868 0.009 0.000 0.987 751 T HN 0.231 nan 8.240 nan 0.000 0.548 752 E N 0.760 120.963 120.200 0.004 0.000 2.077 752 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 752 E C 1.291 177.892 176.600 0.002 0.000 0.989 752 E CA 0.978 57.379 56.400 0.003 0.000 0.800 752 E CB -0.548 29.154 29.700 0.003 0.000 0.746 752 E HN 0.805 nan 8.360 nan 0.000 0.452 753 T N 1.597 116.152 114.554 0.002 0.000 2.919 753 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 753 T C -0.188 174.512 174.700 -0.000 0.000 1.031 753 T CA -0.563 61.538 62.100 0.002 0.000 1.127 753 T CB 0.584 69.454 68.868 0.003 0.000 0.952 753 T HN -0.153 nan 8.240 nan 0.000 0.540 754 D N 2.516 122.915 120.400 -0.002 0.000 2.458 754 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 754 D C -0.415 175.882 176.300 -0.006 0.000 1.146 754 D CA 0.170 54.167 54.000 -0.005 0.000 0.877 754 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 754 D HN 0.759 nan 8.370 nan 0.000 0.461 755 A N 3.433 126.247 122.820 -0.010 0.000 2.556 755 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 755 A C -0.894 176.675 177.584 -0.026 0.000 1.091 755 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 755 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 755 A HN 0.588 nan 8.150 nan 0.000 0.406 756 E N 0.612 120.791 120.200 -0.035 0.000 2.381 756 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 756 E C -1.819 174.731 176.600 -0.083 0.000 0.960 756 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 756 E CB 1.278 30.947 29.700 -0.052 0.000 1.225 756 E HN 0.496 nan 8.360 nan 0.000 0.420 757 I N 3.298 123.773 120.570 -0.159 0.000 2.496 757 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 757 I C 0.172 176.190 176.117 -0.165 0.000 1.080 757 I CA -0.031 61.123 61.300 -0.243 0.000 1.404 757 I CB 0.554 38.167 38.000 -0.644 0.000 1.403 757 I HN 0.293 nan 8.210 nan 0.000 0.539 758 R N 7.358 127.810 120.500 -0.079 0.000 2.423 758 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 758 R C -0.625 175.683 176.300 0.012 0.000 1.196 758 R CA -0.570 55.512 56.100 -0.030 0.000 1.262 758 R CB 0.203 30.501 30.300 -0.003 0.000 1.116 758 R HN 0.554 nan 8.270 nan 0.000 0.566 759 I N 1.900 122.466 120.570 -0.007 0.000 2.588 759 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 759 I C 1.439 177.585 176.117 0.048 0.000 1.119 759 I CA 0.562 61.897 61.300 0.058 0.000 1.419 759 I CB 1.056 39.080 38.000 0.040 0.000 1.394 759 I HN 0.524 nan 8.210 nan 0.000 0.562 760 T N -0.748 113.845 114.554 0.066 0.000 3.087 760 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 760 T C 0.071 174.796 174.700 0.042 0.000 0.956 760 T CA -0.329 61.798 62.100 0.044 0.000 0.894 760 T CB 0.303 69.195 68.868 0.039 0.000 1.160 760 T HN 0.450 nan 8.240 nan 0.000 0.532 761 D N 1.374 121.806 120.400 0.054 0.000 2.857 761 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 761 D C -2.325 174.005 176.300 0.051 0.000 1.192 761 D CA -1.511 52.515 54.000 0.043 0.000 0.857 761 D CB 2.767 43.588 40.800 0.035 0.000 1.645 761 D HN -0.234 nan 8.370 nan 0.000 0.482 762 P HA -0.121 nan 4.420 nan 0.000 0.218 762 P C 1.157 178.481 177.300 0.040 0.000 1.148 762 P CA 1.067 64.190 63.100 0.037 0.000 0.822 762 P CB 0.290 32.005 31.700 0.025 0.000 0.784 763 A N -0.013 122.825 122.820 0.030 0.000 1.978 763 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 763 A C 2.069 179.667 177.584 0.023 0.000 1.170 763 A CA 1.655 53.702 52.037 0.018 0.000 0.636 763 A CB -0.950 18.051 19.000 0.003 0.000 0.810 763 A HN 0.195 nan 8.150 nan 0.000 0.448 764 K N -0.455 119.981 120.400 0.060 0.000 2.155 764 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 764 K C 1.687 178.430 176.600 0.237 0.000 1.052 764 K CA 0.889 57.251 56.287 0.125 0.000 0.948 764 K CB -0.310 32.343 32.500 0.254 0.000 0.728 764 K HN 0.476 nan 8.250 nan 0.000 0.448 765 L N 0.411 121.730 121.223 0.160 0.000 2.127 765 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 765 L C 2.384 179.328 176.870 0.125 0.000 1.089 765 L CA 0.950 55.873 54.840 0.139 0.000 0.757 765 L CB -0.310 41.795 42.059 0.077 0.000 0.899 765 L HN 0.256 nan 8.230 nan 0.000 0.434 766 M N -1.403 118.247 119.600 0.083 0.000 2.357 766 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 766 M C 2.190 178.509 176.300 0.031 0.000 1.095 766 M CA 1.050 56.381 55.300 0.052 0.000 1.156 766 M CB -0.953 31.663 32.600 0.026 0.000 1.365 766 M HN 0.189 nan 8.290 nan 0.000 0.447 767 E N 0.662 120.854 120.200 -0.013 0.000 2.070 767 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 767 E C 1.937 178.436 176.600 -0.169 0.000 1.004 767 E CA 1.706 58.021 56.400 -0.142 0.000 0.805 767 E CB -0.194 29.337 29.700 -0.281 0.000 0.744 767 E HN 0.455 nan 8.360 nan 0.000 0.451 768 F N 0.398 120.352 119.950 0.007 0.000 2.206 768 F HA -0.017 4.510 4.527 0.000 0.000 0.298 768 F C 2.514 178.320 175.800 0.010 0.000 1.090 768 F CA 0.571 58.575 58.000 0.007 0.000 1.323 768 F CB -0.194 38.810 39.000 0.006 0.000 1.028 768 F HN -0.016 nan 8.300 nan 0.000 0.492 769 I N -0.029 120.655 120.570 0.190 0.000 2.163 769 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 769 I C 2.288 178.451 176.117 0.076 0.000 1.085 769 I CA 1.304 62.671 61.300 0.113 0.000 1.347 769 I CB -0.390 37.660 38.000 0.084 0.000 1.044 769 I HN 0.109 nan 8.210 nan 0.000 0.408 770 E N 0.198 120.428 120.200 0.050 0.000 2.150 770 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 770 E C 2.022 178.634 176.600 0.021 0.000 0.985 770 E CA 0.948 57.364 56.400 0.026 0.000 0.814 770 E CB -0.189 29.513 29.700 0.003 0.000 0.752 770 E HN 0.447 nan 8.360 nan 0.000 0.466 771 Q N 1.349 121.161 119.800 0.020 0.000 2.079 771 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 771 Q C 1.673 177.703 176.000 0.050 0.000 0.974 771 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 771 Q CB 0.018 28.758 28.738 0.004 0.000 0.898 771 Q HN 0.287 nan 8.270 nan 0.000 0.430 772 E N -0.406 119.840 120.200 0.076 0.000 2.152 772 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 772 E C 1.844 178.481 176.600 0.061 0.000 0.983 772 E CA 0.811 57.254 56.400 0.072 0.000 0.818 772 E CB 0.094 29.842 29.700 0.079 0.000 0.758 772 E HN 0.347 nan 8.360 nan 0.000 0.467 773 E N 1.050 121.286 120.200 0.060 0.000 2.072 773 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 773 E C 1.909 178.541 176.600 0.052 0.000 0.985 773 E CA 0.847 57.285 56.400 0.065 0.000 0.801 773 E CB -0.113 29.622 29.700 0.058 0.000 0.750 773 E HN 0.164 nan 8.360 nan 0.000 0.452 774 K N 0.654 121.075 120.400 0.034 0.000 2.026 774 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 774 K C 2.282 178.898 176.600 0.026 0.000 1.048 774 K CA 1.361 57.660 56.287 0.020 0.000 0.929 774 K CB -0.162 32.344 32.500 0.009 0.000 0.713 774 K HN 0.040 nan 8.250 nan 0.000 0.439 775 M N 0.940 120.560 119.600 0.033 0.000 2.108 775 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 775 M C 2.085 178.410 176.300 0.042 0.000 1.066 775 M CA 1.473 56.794 55.300 0.035 0.000 1.107 775 M CB -0.068 32.555 32.600 0.038 0.000 1.356 775 M HN 0.357 nan 8.290 nan 0.000 0.406 776 L N 0.094 121.351 121.223 0.056 0.000 2.027 776 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 776 L C 2.249 179.177 176.870 0.096 0.000 1.074 776 L CA 1.546 56.432 54.840 0.077 0.000 0.745 776 L CB -0.303 41.813 42.059 0.096 0.000 0.898 776 L HN 0.280 nan 8.230 nan 0.000 0.433 777 K N -0.349 120.099 120.400 0.080 0.000 2.097 777 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 777 K C 1.657 178.270 176.600 0.022 0.000 1.049 777 K CA 1.576 57.886 56.287 0.038 0.000 0.933 777 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 777 K HN 0.356 nan 8.250 nan 0.000 0.442 778 D N 0.528 120.941 120.400 0.022 0.000 2.144 778 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 778 D C 1.936 178.250 176.300 0.022 0.000 0.984 778 D CA 0.996 55.006 54.000 0.015 0.000 0.834 778 D CB 0.004 40.812 40.800 0.014 0.000 0.955 778 D HN 0.069 nan 8.370 nan 0.000 0.465 779 M N 0.373 119.993 119.600 0.032 0.000 2.084 779 M HA -0.138 4.341 4.480 -0.000 0.000 0.259 779 M C 2.455 178.777 176.300 0.037 0.000 1.072 779 M CA 0.945 56.265 55.300 0.034 0.000 1.107 779 M CB -1.092 31.531 32.600 0.039 0.000 1.299 779 M HN -0.071 nan 8.290 nan 0.000 0.413 780 V N 0.597 120.544 119.914 0.055 0.000 2.287 780 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 780 V C 2.734 178.851 176.094 0.038 0.000 1.053 780 V CA 1.945 64.284 62.300 0.064 0.000 1.027 780 V CB -1.461 30.436 31.823 0.124 0.000 0.646 780 V HN 0.543 nan 8.190 nan 0.000 0.447 781 A N -0.153 122.680 122.820 0.022 0.000 1.940 781 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 781 A C 2.192 179.781 177.584 0.009 0.000 1.176 781 A CA 2.186 54.225 52.037 0.005 0.000 0.631 781 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 781 A HN 0.570 nan 8.150 nan 0.000 0.446 782 E N 0.269 120.477 120.200 0.014 0.000 2.077 782 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 782 E C 1.696 178.306 176.600 0.017 0.000 0.989 782 E CA 1.383 57.792 56.400 0.014 0.000 0.800 782 E CB -0.394 29.316 29.700 0.016 0.000 0.746 782 E HN 0.657 nan 8.360 nan 0.000 0.452 783 I N 0.613 121.195 120.570 0.021 0.000 2.142 783 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 783 I C 2.618 178.747 176.117 0.020 0.000 1.078 783 I CA 1.285 62.599 61.300 0.022 0.000 1.343 783 I CB -0.444 37.571 38.000 0.025 0.000 1.046 783 I HN 0.102 nan 8.210 nan 0.000 0.405 784 K N 1.679 122.090 120.400 0.018 0.000 2.063 784 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 784 K C 2.126 178.733 176.600 0.011 0.000 1.048 784 K CA 1.805 58.101 56.287 0.015 0.000 0.928 784 K CB -0.239 32.268 32.500 0.011 0.000 0.713 784 K HN 0.317 nan 8.250 nan 0.000 0.442 785 A N 0.507 123.333 122.820 0.010 0.000 2.024 785 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 785 A C 2.239 179.829 177.584 0.010 0.000 1.164 785 A CA 2.164 54.206 52.037 0.008 0.000 0.643 785 A CB -0.652 18.352 19.000 0.007 0.000 0.806 785 A HN 0.440 nan 8.150 nan 0.000 0.451 786 S N -1.967 113.741 115.700 0.014 0.000 2.453 786 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 786 S C 1.483 176.093 174.600 0.016 0.000 1.005 786 S CA 1.624 59.834 58.200 0.016 0.000 0.949 786 S CB -0.322 62.890 63.200 0.019 0.000 0.774 786 S HN 1.818 nan 8.310 nan 0.000 0.510 787 G N -0.010 108.799 108.800 0.015 0.000 2.176 787 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 787 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 787 G C 0.152 175.063 174.900 0.019 0.000 0.986 787 G CA 0.112 45.221 45.100 0.016 0.000 0.643 787 G HN 1.018 nan 8.290 nan 0.000 0.522 788 A N 0.047 122.880 122.820 0.022 0.000 2.477 788 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 788 A C 1.081 178.677 177.584 0.020 0.000 1.078 788 A CA 0.777 52.829 52.037 0.026 0.000 0.770 788 A CB 0.183 19.201 19.000 0.030 0.000 1.011 788 A HN 0.378 nan 8.150 nan 0.000 0.494 789 N N 0.483 119.196 118.700 0.021 0.000 2.159 789 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 789 N C -0.880 174.631 175.510 0.002 0.000 1.223 789 N CA 0.370 53.428 53.050 0.013 0.000 0.896 789 N CB 1.237 39.734 38.487 0.016 0.000 1.064 789 N HN 0.360 nan 8.380 nan 0.000 0.518 790 V N 1.889 121.808 119.914 0.008 0.000 2.709 790 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 790 V C -1.076 175.006 176.094 -0.019 0.000 1.062 790 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 790 V CB 2.696 34.540 31.823 0.036 0.000 1.003 790 V HN -0.032 nan 8.190 nan 0.000 0.425 791 L N 4.560 125.705 121.223 -0.130 0.000 2.470 791 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 791 L C -1.728 174.999 176.870 -0.238 0.000 0.964 791 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 791 L CB 1.768 43.802 42.059 -0.041 0.000 1.276 791 L HN 0.476 nan 8.230 nan 0.000 0.403 792 F N 4.865 124.819 119.950 0.006 0.000 2.388 792 F HA 0.525 5.051 4.527 -0.000 0.000 0.358 792 F C 0.207 176.007 175.800 0.001 0.000 1.122 792 F CA -0.240 57.761 58.000 0.002 0.000 1.056 792 F CB 1.435 40.435 39.000 0.001 0.000 1.155 792 F HN 0.575 nan 8.300 nan 0.000 0.461 793 C N 4.695 124.066 119.300 0.118 0.000 2.376 793 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 793 C C 1.502 176.540 174.990 0.079 0.000 1.229 793 C CA -0.377 58.686 59.018 0.075 0.000 1.867 793 C CB 1.183 28.938 27.740 0.024 0.000 2.319 793 C HN 0.946 nan 8.230 nan 0.000 0.515 794 Q N 2.833 122.668 119.800 0.059 0.000 2.062 794 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 794 Q C 1.106 177.125 176.000 0.030 0.000 0.967 794 Q CA 1.480 57.311 55.803 0.046 0.000 0.832 794 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 794 Q HN 0.696 nan 8.270 nan 0.000 0.442 795 K N -0.294 120.118 120.400 0.021 0.000 2.894 795 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 795 K C 0.584 177.186 176.600 0.004 0.000 0.984 795 K CA 0.212 56.505 56.287 0.010 0.000 1.266 795 K CB -0.895 31.609 32.500 0.006 0.000 1.423 795 K HN 0.169 nan 8.250 nan 0.000 0.614 796 G N 0.231 109.028 108.800 -0.005 0.000 2.504 796 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 796 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 796 G C -0.557 174.328 174.900 -0.025 0.000 1.182 796 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 796 G HN 0.300 nan 8.290 nan 0.000 0.521 797 I N 1.131 121.677 120.570 -0.040 0.000 2.439 797 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 797 I C -0.343 175.722 176.117 -0.085 0.000 1.023 797 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 797 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 797 I HN 0.450 nan 8.210 nan 0.000 0.445 798 D N 5.010 125.352 120.400 -0.097 0.000 2.449 798 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 798 D C 0.638 176.811 176.300 -0.213 0.000 1.149 798 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 798 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 798 D HN 0.476 nan 8.370 nan 0.000 0.446 799 D N 2.478 122.728 120.400 -0.250 0.000 2.133 799 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 799 D C 1.757 177.560 176.300 -0.828 0.000 0.997 799 D CA 0.689 54.434 54.000 -0.424 0.000 0.840 799 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 799 D HN 0.339 nan 8.370 nan 0.000 0.452 800 L N 0.807 121.648 121.223 -0.637 0.000 2.042 800 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 800 L C 2.134 178.533 176.870 -0.785 0.000 1.076 800 L CA 1.753 56.166 54.840 -0.713 0.000 0.749 800 L CB -0.753 41.040 42.059 -0.443 0.000 0.893 800 L HN -0.010 nan 8.230 nan 0.000 0.432 801 A N -1.253 121.281 122.820 -0.477 0.000 1.902 801 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 801 A C 2.162 179.628 177.584 -0.195 0.000 1.181 801 A CA 1.797 53.667 52.037 -0.278 0.000 0.623 801 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 801 A HN 0.656 nan 8.150 nan 0.000 0.443 802 Q N -1.000 118.660 119.800 -0.233 0.000 2.096 802 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 802 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 802 Q CA 1.836 57.567 55.803 -0.119 0.000 0.850 802 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 802 Q HN 0.897 nan 8.270 nan 0.000 0.422 803 H N -1.104 117.888 119.070 -0.130 0.000 2.321 803 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 803 H C 1.722 177.102 175.328 0.087 0.000 1.087 803 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 803 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 803 H HN 0.252 nan 8.280 nan 0.000 0.501 804 Y N 0.775 121.144 120.300 0.114 0.000 2.200 804 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 804 Y C 2.549 178.468 175.900 0.032 0.000 1.137 804 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 804 Y CB -0.884 37.596 38.460 0.034 0.000 0.988 804 Y HN 0.140 nan 8.280 nan 0.000 0.518 805 L N -0.523 120.805 121.223 0.174 0.000 2.042 805 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 805 L C 2.663 179.573 176.870 0.066 0.000 1.076 805 L CA 1.389 56.279 54.840 0.084 0.000 0.749 805 L CB -0.873 41.204 42.059 0.030 0.000 0.893 805 L HN 0.194 nan 8.230 nan 0.000 0.432 806 A N -0.044 122.822 122.820 0.078 0.000 1.898 806 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 806 A C 2.310 179.932 177.584 0.062 0.000 1.181 806 A CA 1.625 53.699 52.037 0.061 0.000 0.620 806 A CB -0.348 18.694 19.000 0.070 0.000 0.819 806 A HN 0.312 nan 8.150 nan 0.000 0.442 807 K N -0.289 120.167 120.400 0.093 0.000 2.209 807 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 807 K C 1.209 177.838 176.600 0.047 0.000 1.048 807 K CA 1.176 57.506 56.287 0.072 0.000 0.940 807 K CB -0.009 32.551 32.500 0.100 0.000 0.729 807 K HN 0.400 nan 8.250 nan 0.000 0.451 808 E N -0.306 119.926 120.200 0.053 0.000 2.489 808 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 808 E C 0.848 177.462 176.600 0.024 0.000 1.057 808 E CA 0.421 56.841 56.400 0.032 0.000 0.866 808 E CB 0.480 30.201 29.700 0.036 0.000 0.916 808 E HN 0.456 nan 8.360 nan 0.000 0.500 809 G N 2.125 110.940 108.800 0.025 0.000 2.225 809 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 809 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 809 G C 0.306 175.212 174.900 0.011 0.000 1.024 809 G CA 0.301 45.411 45.100 0.016 0.000 0.784 809 G HN 0.286 nan 8.290 nan 0.000 0.507 810 I N 0.243 120.820 120.570 0.012 0.000 2.395 810 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 810 I C 0.781 176.885 176.117 -0.020 0.000 1.023 810 I CA -0.870 60.429 61.300 -0.001 0.000 1.350 810 I CB 1.556 39.559 38.000 0.004 0.000 1.409 810 I HN -0.125 nan 8.210 nan 0.000 0.507 811 V N 5.991 125.879 119.914 -0.043 0.000 2.509 811 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 811 V C 0.348 176.351 176.094 -0.152 0.000 1.047 811 V CA -0.279 61.973 62.300 -0.081 0.000 0.952 811 V CB 1.270 33.046 31.823 -0.077 0.000 0.988 811 V HN 0.873 nan 8.190 nan 0.000 0.469 812 A N 4.008 126.727 122.820 -0.168 0.000 2.454 812 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 812 A C -0.546 176.883 177.584 -0.260 0.000 1.079 812 A CA -0.357 51.547 52.037 -0.222 0.000 0.731 812 A CB 1.950 20.875 19.000 -0.124 0.000 1.299 812 A HN 1.354 nan 8.150 nan 0.000 0.413 813 A N 1.478 124.097 122.820 -0.336 0.000 2.393 813 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 813 A C -0.122 177.413 177.584 -0.082 0.000 1.050 813 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 813 A CB 1.010 19.826 19.000 -0.306 0.000 1.248 813 A HN 1.258 nan 8.150 nan 0.000 0.424 814 R N 1.477 121.958 120.500 -0.031 0.000 2.875 814 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 814 R C -0.473 175.841 176.300 0.022 0.000 1.123 814 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 814 R CB 0.493 30.779 30.300 -0.022 0.000 1.205 814 R HN 0.490 nan 8.270 nan 0.000 0.503 815 R N -0.552 119.959 120.500 0.019 0.000 3.405 815 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 815 R C -0.670 175.651 176.300 0.035 0.000 1.030 815 R CA 0.564 56.676 56.100 0.020 0.000 0.691 815 R CB -2.547 27.759 30.300 0.010 0.000 1.093 815 R HN 0.509 nan 8.270 nan 0.000 0.448 816 V N 1.046 120.993 119.914 0.055 0.000 2.686 816 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 816 V C 1.470 177.585 176.094 0.035 0.000 1.055 816 V CA -0.309 62.031 62.300 0.066 0.000 1.050 816 V CB 1.395 33.286 31.823 0.112 0.000 0.984 816 V HN 0.175 nan 8.190 nan 0.000 0.482 817 K N 3.367 123.780 120.400 0.022 0.000 2.414 817 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 817 K C 1.346 177.949 176.600 0.004 0.000 0.993 817 K CA -0.241 56.051 56.287 0.009 0.000 0.964 817 K CB 0.365 32.865 32.500 0.001 0.000 0.925 817 K HN 0.620 nan 8.250 nan 0.000 0.487 818 K N 1.851 122.253 120.400 0.003 0.000 2.057 818 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 818 K C 1.531 178.126 176.600 -0.008 0.000 1.049 818 K CA 1.811 58.098 56.287 -0.000 0.000 0.931 818 K CB -0.131 32.370 32.500 0.001 0.000 0.714 818 K HN 0.600 nan 8.250 nan 0.000 0.440 819 S N 1.516 117.210 115.700 -0.010 0.000 2.399 819 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 819 S C 1.340 175.925 174.600 -0.026 0.000 1.022 819 S CA 1.346 59.536 58.200 -0.016 0.000 0.983 819 S CB -0.185 63.006 63.200 -0.014 0.000 0.803 819 S HN 0.343 nan 8.310 nan 0.000 0.480 820 D N 1.118 121.502 120.400 -0.027 0.000 2.144 820 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 820 D C 1.865 178.125 176.300 -0.066 0.000 0.978 820 D CA 0.724 54.697 54.000 -0.046 0.000 0.833 820 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 820 D HN 0.242 nan 8.370 nan 0.000 0.470 821 M N 0.541 120.116 119.600 -0.042 0.000 2.149 821 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 821 M C 1.878 178.147 176.300 -0.052 0.000 1.064 821 M CA 1.299 56.573 55.300 -0.042 0.000 1.102 821 M CB -0.814 31.782 32.600 -0.008 0.000 1.369 821 M HN 0.122 nan 8.290 nan 0.000 0.408 822 E N -0.200 119.976 120.200 -0.040 0.000 2.107 822 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 822 E C 2.069 178.640 176.600 -0.048 0.000 0.982 822 E CA 0.787 57.165 56.400 -0.036 0.000 0.809 822 E CB 0.015 29.700 29.700 -0.025 0.000 0.756 822 E HN 0.492 nan 8.360 nan 0.000 0.459 823 K N 0.574 120.940 120.400 -0.058 0.000 2.097 823 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 823 K C 2.146 178.690 176.600 -0.095 0.000 1.050 823 K CA 0.707 56.954 56.287 -0.066 0.000 0.938 823 K CB -0.010 32.451 32.500 -0.065 0.000 0.718 823 K HN 0.112 nan 8.250 nan 0.000 0.442 824 L N 0.324 121.467 121.223 -0.134 0.000 2.093 824 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 824 L C 2.525 179.309 176.870 -0.142 0.000 1.085 824 L CA 0.922 55.640 54.840 -0.203 0.000 0.755 824 L CB -0.478 41.382 42.059 -0.333 0.000 0.904 824 L HN 0.194 nan 8.230 nan 0.000 0.435 825 A N 0.221 122.985 122.820 -0.093 0.000 1.873 825 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 825 A C 2.319 179.878 177.584 -0.042 0.000 1.186 825 A CA 1.562 53.566 52.037 -0.054 0.000 0.616 825 A CB -0.303 18.677 19.000 -0.035 0.000 0.823 825 A HN 0.280 nan 8.150 nan 0.000 0.442 826 K N -0.251 120.124 120.400 -0.042 0.000 2.009 826 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 826 K C 2.388 178.970 176.600 -0.030 0.000 1.049 826 K CA 1.281 57.550 56.287 -0.030 0.000 0.929 826 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 826 K HN 0.435 nan 8.250 nan 0.000 0.440 827 A N 0.890 123.682 122.820 -0.047 0.000 1.832 827 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 827 A C 2.292 179.854 177.584 -0.036 0.000 1.200 827 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 827 A CB -1.094 17.866 19.000 -0.067 0.000 0.842 827 A HN 0.268 nan 8.150 nan 0.000 0.444 828 T N -0.871 113.650 114.554 -0.055 0.000 2.951 828 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 828 T C 1.321 176.014 174.700 -0.012 0.000 1.073 828 T CA 1.467 63.545 62.100 -0.037 0.000 1.134 828 T CB -0.356 68.477 68.868 -0.059 0.000 0.884 828 T HN 1.638 nan 8.240 nan 0.000 0.479 829 G N 1.419 110.210 108.800 -0.015 0.000 2.182 829 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 829 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 829 G C 0.045 174.947 174.900 0.003 0.000 1.042 829 G CA -0.132 44.967 45.100 -0.001 0.000 0.775 829 G HN 0.877 nan 8.290 nan 0.000 0.501 830 A N -0.424 122.394 122.820 -0.004 0.000 2.303 830 A HA 0.757 5.077 4.320 -0.000 0.000 0.317 830 A C 0.186 177.773 177.584 0.004 0.000 1.149 830 A CA -0.232 51.809 52.037 0.008 0.000 0.822 830 A CB 0.903 19.912 19.000 0.015 0.000 1.131 830 A HN 0.719 nan 8.150 nan 0.000 0.493 831 N N 1.510 120.217 118.700 0.012 0.000 2.425 831 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 831 N C -0.806 174.713 175.510 0.014 0.000 0.991 831 N CA -0.279 52.777 53.050 0.010 0.000 0.931 831 N CB 1.168 39.662 38.487 0.011 0.000 1.130 831 N HN 0.289 nan 8.380 nan 0.000 0.493 832 V N 4.880 124.800 119.914 0.010 0.000 2.485 832 V HA 0.133 4.253 4.120 -0.000 0.000 0.287 832 V C 0.456 176.559 176.094 0.015 0.000 1.022 832 V CA 0.006 62.314 62.300 0.014 0.000 1.067 832 V CB -0.129 31.699 31.823 0.008 0.000 0.967 832 V HN 0.529 nan 8.190 nan 0.000 0.479 833 I N 4.792 125.374 120.570 0.019 0.000 2.530 833 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 833 I C 1.279 177.406 176.117 0.017 0.000 1.011 833 I CA -0.230 61.080 61.300 0.017 0.000 1.107 833 I CB 2.023 40.034 38.000 0.019 0.000 1.285 833 I HN 0.773 nan 8.210 nan 0.000 0.436 834 T N 1.936 116.499 114.554 0.014 0.000 2.755 834 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 834 T C 0.830 175.538 174.700 0.014 0.000 1.044 834 T CA 0.415 62.523 62.100 0.013 0.000 1.154 834 T CB -0.098 68.776 68.868 0.011 0.000 0.866 834 T HN 0.441 nan 8.240 nan 0.000 0.416 835 N N 0.840 119.548 118.700 0.013 0.000 2.438 835 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 835 N C 0.665 176.184 175.510 0.015 0.000 1.037 835 N CA -0.720 52.338 53.050 0.014 0.000 0.942 835 N CB 1.370 39.864 38.487 0.012 0.000 1.136 835 N HN 0.174 nan 8.380 nan 0.000 0.481 836 I N 3.675 124.254 120.570 0.016 0.000 2.335 836 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 836 I C 1.817 177.944 176.117 0.015 0.000 1.129 836 I CA 1.460 62.770 61.300 0.017 0.000 1.402 836 I CB 0.051 38.062 38.000 0.018 0.000 1.069 836 I HN 0.489 nan 8.210 nan 0.000 0.424 837 K N 0.348 120.756 120.400 0.013 0.000 2.152 837 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 837 K C 1.629 178.236 176.600 0.011 0.000 1.048 837 K CA 1.526 57.821 56.287 0.012 0.000 0.933 837 K CB -0.573 31.934 32.500 0.011 0.000 0.721 837 K HN 0.426 nan 8.250 nan 0.000 0.447 838 D N 0.375 120.782 120.400 0.012 0.000 2.289 838 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 838 D C 0.595 176.902 176.300 0.013 0.000 0.966 838 D CA -0.059 53.948 54.000 0.011 0.000 0.868 838 D CB -0.163 40.643 40.800 0.011 0.000 0.943 838 D HN -0.021 nan 8.370 nan 0.000 0.514 839 L N 1.337 122.569 121.223 0.015 0.000 2.559 839 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 839 L C 0.377 177.256 176.870 0.015 0.000 1.232 839 L CA 0.399 55.249 54.840 0.017 0.000 0.885 839 L CB 0.274 42.345 42.059 0.019 0.000 1.131 839 L HN -0.002 nan 8.230 nan 0.000 0.498 840 S N 2.821 118.530 115.700 0.015 0.000 2.651 840 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 840 S C 0.608 175.217 174.600 0.016 0.000 1.148 840 S CA -0.389 57.819 58.200 0.014 0.000 0.837 840 S CB 1.131 64.339 63.200 0.012 0.000 1.138 840 S HN 0.838 nan 8.310 nan 0.000 0.478 841 A N 0.597 123.426 122.820 0.015 0.000 1.978 841 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 841 A C 1.985 179.579 177.584 0.017 0.000 1.170 841 A CA 1.414 53.461 52.037 0.016 0.000 0.636 841 A CB -0.907 18.102 19.000 0.014 0.000 0.810 841 A HN 0.730 nan 8.150 nan 0.000 0.448 842 Q N 0.155 119.964 119.800 0.015 0.000 2.364 842 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 842 Q C 0.614 176.624 176.000 0.016 0.000 0.970 842 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 842 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 842 Q HN 0.683 nan 8.270 nan 0.000 0.469 843 D N -0.261 120.149 120.400 0.017 0.000 2.354 843 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 843 D C 0.592 176.906 176.300 0.023 0.000 1.015 843 D CA 0.037 54.048 54.000 0.018 0.000 0.867 843 D CB 0.574 41.385 40.800 0.019 0.000 0.933 843 D HN 0.200 nan 8.370 nan 0.000 0.520 844 L N 0.906 122.143 121.223 0.025 0.000 2.461 844 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 844 L C 1.215 178.103 176.870 0.028 0.000 1.197 844 L CA -0.170 54.688 54.840 0.030 0.000 0.836 844 L CB 0.836 42.913 42.059 0.030 0.000 1.105 844 L HN -0.092 nan 8.230 nan 0.000 0.477 845 G N 0.998 109.818 108.800 0.034 0.000 2.509 845 G HA2 0.483 4.443 3.960 -0.000 0.000 0.328 845 G HA3 0.483 4.443 3.960 -0.000 0.000 0.328 845 G C -1.359 173.561 174.900 0.033 0.000 1.194 845 G CA -0.482 44.636 45.100 0.029 0.000 0.967 845 G HN 0.536 nan 8.290 nan 0.000 0.488 846 D N -0.187 120.230 120.400 0.028 0.000 2.498 846 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 846 D C -0.459 175.856 176.300 0.026 0.000 1.070 846 D CA -0.026 53.990 54.000 0.027 0.000 0.842 846 D CB 2.152 42.965 40.800 0.020 0.000 1.361 846 D HN 0.573 nan 8.370 nan 0.000 0.484 847 A N 0.531 123.370 122.820 0.032 0.000 2.398 847 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 847 A C 0.948 178.550 177.584 0.029 0.000 1.041 847 A CA -0.540 51.517 52.037 0.034 0.000 0.711 847 A CB 1.647 20.679 19.000 0.054 0.000 1.240 847 A HN 0.521 nan 8.150 nan 0.000 0.420 848 G N 0.471 109.282 108.800 0.020 0.000 2.443 848 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 848 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 848 G C 0.223 175.137 174.900 0.023 0.000 1.131 848 G CA 1.531 46.639 45.100 0.013 0.000 0.775 848 G HN 1.110 nan 8.290 nan 0.000 0.547 849 L N -0.315 120.931 121.223 0.039 0.000 2.549 849 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 849 L C -1.530 175.386 176.870 0.077 0.000 0.934 849 L CA -0.734 54.135 54.840 0.048 0.000 0.865 849 L CB 2.450 44.532 42.059 0.038 0.000 1.352 849 L HN -0.160 nan 8.230 nan 0.000 0.410 850 V N 4.133 124.093 119.914 0.078 0.000 2.443 850 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 850 V C -0.614 175.537 176.094 0.094 0.000 1.021 850 V CA -0.420 61.942 62.300 0.104 0.000 0.848 850 V CB 1.534 33.418 31.823 0.101 0.000 0.998 850 V HN 0.820 nan 8.190 nan 0.000 0.424 851 E N 3.115 123.393 120.200 0.130 0.000 2.343 851 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 851 E C -1.138 175.559 176.600 0.161 0.000 0.910 851 E CA -0.685 55.777 56.400 0.103 0.000 0.757 851 E CB 2.356 32.085 29.700 0.048 0.000 1.218 851 E HN 0.743 nan 8.360 nan 0.000 0.435 852 E N 3.941 124.206 120.200 0.109 0.000 2.152 852 E HA 0.240 4.590 4.350 -0.000 0.000 0.285 852 E C -0.883 175.776 176.600 0.099 0.000 1.043 852 E CA -0.233 56.241 56.400 0.124 0.000 0.839 852 E CB 0.715 30.460 29.700 0.075 0.000 1.069 852 E HN 0.329 nan 8.360 nan 0.000 0.399 853 R N 3.448 124.051 120.500 0.172 0.000 2.740 853 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 853 R C -1.018 175.365 176.300 0.138 0.000 0.969 853 R CA -1.108 55.038 56.100 0.077 0.000 0.918 853 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 853 R HN 0.256 nan 8.270 nan 0.000 0.464 854 K N 2.144 122.584 120.400 0.067 0.000 2.227 854 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 854 K C -0.526 176.121 176.600 0.077 0.000 1.041 854 K CA -0.119 56.211 56.287 0.071 0.000 0.905 854 K CB 0.834 33.357 32.500 0.039 0.000 1.068 854 K HN 0.311 nan 8.250 nan 0.000 0.470 855 I N 2.283 122.915 120.570 0.103 0.000 2.439 855 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 855 I C 0.195 176.351 176.117 0.065 0.000 1.023 855 I CA -0.361 60.998 61.300 0.098 0.000 1.100 855 I CB 1.181 39.276 38.000 0.158 0.000 1.238 855 I HN 0.723 nan 8.210 nan 0.000 0.445 856 S N 4.577 120.305 115.700 0.046 0.000 3.682 856 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 856 S C 1.406 176.025 174.600 0.031 0.000 1.034 856 S CA 1.622 59.842 58.200 0.034 0.000 1.084 856 S CB -1.038 62.181 63.200 0.033 0.000 0.903 856 S HN 1.580 nan 8.310 nan 0.000 0.470 857 G N 0.132 108.951 108.800 0.031 0.000 2.550 857 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 857 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 857 G C -0.204 174.717 174.900 0.034 0.000 1.170 857 G CA 0.367 45.484 45.100 0.028 0.000 0.693 857 G HN 0.723 nan 8.290 nan 0.000 0.512 858 D N 1.852 122.275 120.400 0.038 0.000 2.443 858 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 858 D C 1.022 177.356 176.300 0.056 0.000 1.136 858 D CA 0.873 54.897 54.000 0.040 0.000 0.879 858 D CB 1.261 42.082 40.800 0.034 0.000 1.195 858 D HN 0.709 nan 8.370 nan 0.000 0.443 859 S N 1.942 117.673 115.700 0.051 0.000 2.523 859 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 859 S C 0.023 174.664 174.600 0.069 0.000 1.281 859 S CA -0.717 57.523 58.200 0.067 0.000 1.050 859 S CB 0.768 63.999 63.200 0.051 0.000 0.937 859 S HN 0.384 nan 8.310 nan 0.000 0.492 860 M N 2.708 122.374 119.600 0.110 0.000 2.575 860 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 860 M C -1.301 175.071 176.300 0.119 0.000 1.253 860 M CA -0.869 54.470 55.300 0.065 0.000 0.861 860 M CB 1.968 34.570 32.600 0.003 0.000 1.733 860 M HN 0.432 nan 8.290 nan 0.000 0.462 861 I N 1.675 122.254 120.570 0.014 0.000 2.412 861 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 861 I C -1.105 174.975 176.117 -0.061 0.000 0.987 861 I CA -0.365 60.988 61.300 0.087 0.000 1.180 861 I CB 0.990 39.050 38.000 0.098 0.000 1.340 861 I HN 0.530 nan 8.210 nan 0.000 0.455 862 F N 4.769 124.747 119.950 0.046 0.000 2.426 862 F HA 0.418 4.945 4.527 0.000 0.000 0.348 862 F C 0.215 176.040 175.800 0.042 0.000 1.124 862 F CA -0.767 57.255 58.000 0.036 0.000 1.008 862 F CB 1.792 40.806 39.000 0.024 0.000 1.139 862 F HN -0.006 nan 8.300 nan 0.000 0.452 863 V N 3.993 123.995 119.914 0.147 0.000 2.257 863 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 863 V C -0.485 175.668 176.094 0.098 0.000 1.040 863 V CA -0.577 61.787 62.300 0.107 0.000 0.813 863 V CB 0.426 32.281 31.823 0.054 0.000 1.065 863 V HN 0.795 nan 8.190 nan 0.000 0.457 864 E N 3.024 123.291 120.200 0.111 0.000 2.369 864 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 864 E C -0.652 175.977 176.600 0.049 0.000 0.909 864 E CA -0.839 55.615 56.400 0.089 0.000 0.775 864 E CB 1.973 31.746 29.700 0.122 0.000 1.270 864 E HN 0.198 nan 8.360 nan 0.000 0.445 865 E N -0.763 119.453 120.200 0.027 0.000 3.169 865 E HA -0.129 4.221 4.350 -0.000 0.000 0.305 865 E C -0.670 175.921 176.600 -0.014 0.000 0.912 865 E CA 0.468 56.869 56.400 0.001 0.000 1.029 865 E CB -2.464 27.238 29.700 0.003 0.000 1.514 865 E HN 0.632 nan 8.360 nan 0.000 0.412 866 C N 1.263 120.557 119.300 -0.009 0.000 2.679 866 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 866 C C 2.292 177.239 174.990 -0.071 0.000 1.302 866 C CA 0.098 59.103 59.018 -0.021 0.000 1.973 866 C CB 0.280 28.017 27.740 -0.005 0.000 2.715 866 C HN 0.355 nan 8.230 nan 0.000 0.628 867 K N 1.155 121.499 120.400 -0.093 0.000 1.969 867 K HA -0.114 4.206 4.320 -0.000 0.000 0.223 867 K C 0.444 176.790 176.600 -0.425 0.000 1.048 867 K CA 1.413 57.559 56.287 -0.235 0.000 0.983 867 K CB -0.123 32.297 32.500 -0.134 0.000 0.738 867 K HN 0.696 nan 8.250 nan 0.000 0.446 868 H N 0.805 119.880 119.070 0.008 0.000 2.423 868 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 868 H C -2.368 172.963 175.328 0.004 0.000 1.391 868 H CA -1.966 54.086 56.048 0.006 0.000 1.453 868 H CB 0.428 30.193 29.762 0.005 0.000 1.484 868 H HN 0.256 nan 8.280 nan 0.000 0.505 869 P HA 0.055 nan 4.420 nan 0.000 0.268 869 P C 0.691 178.018 177.300 0.046 0.000 1.205 869 P CA -0.428 62.697 63.100 0.042 0.000 0.771 869 P CB 1.743 33.456 31.700 0.020 0.000 0.858 870 K N 0.460 120.877 120.400 0.029 0.000 2.358 870 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 870 K C 0.443 177.048 176.600 0.007 0.000 1.025 870 K CA -0.018 56.281 56.287 0.019 0.000 1.104 870 K CB 0.614 33.122 32.500 0.014 0.000 0.855 870 K HN 0.558 nan 8.250 nan 0.000 0.531 871 A N 1.090 123.912 122.820 0.003 0.000 2.408 871 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 871 A C -0.462 177.119 177.584 -0.004 0.000 1.040 871 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 871 A CB 1.290 20.278 19.000 -0.019 0.000 1.235 871 A HN -0.052 nan 8.150 nan 0.000 0.418 872 V N -0.461 119.451 119.914 -0.002 0.000 2.960 872 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 872 V C -0.295 175.797 176.094 -0.004 0.000 1.087 872 V CA -0.579 61.723 62.300 0.002 0.000 0.982 872 V CB 1.665 33.494 31.823 0.011 0.000 1.039 872 V HN 0.805 nan 8.190 nan 0.000 0.437 873 T N 3.731 118.285 114.554 -0.000 0.000 2.863 873 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 873 T C -0.530 174.177 174.700 0.012 0.000 1.009 873 T CA -0.288 61.808 62.100 -0.006 0.000 0.989 873 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 873 T HN 0.920 nan 8.240 nan 0.000 0.455 874 M N 4.212 123.818 119.600 0.010 0.000 2.060 874 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 874 M C -1.114 175.200 176.300 0.023 0.000 1.031 874 M CA -1.040 54.272 55.300 0.021 0.000 0.981 874 M CB 0.238 32.847 32.600 0.016 0.000 1.376 874 M HN 0.474 nan 8.290 nan 0.000 0.397 875 L N 6.692 127.941 121.223 0.043 0.000 2.433 875 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 875 L C -1.123 175.775 176.870 0.047 0.000 1.128 875 L CA 0.617 55.490 54.840 0.055 0.000 0.875 875 L CB 0.188 42.317 42.059 0.117 0.000 1.171 875 L HN 0.601 nan 8.230 nan 0.000 0.463 876 I N 6.093 126.684 120.570 0.035 0.000 2.359 876 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 876 I C -0.038 176.098 176.117 0.031 0.000 0.987 876 I CA -0.761 60.555 61.300 0.027 0.000 1.225 876 I CB 0.898 38.910 38.000 0.019 0.000 1.366 876 I HN 0.532 nan 8.210 nan 0.000 0.466 877 R N 4.121 124.637 120.500 0.027 0.000 2.832 877 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 877 R C -0.361 175.948 176.300 0.014 0.000 0.996 877 R CA -1.081 55.034 56.100 0.024 0.000 0.977 877 R CB 1.970 32.286 30.300 0.026 0.000 1.168 877 R HN 0.877 nan 8.270 nan 0.000 0.482 878 G N -0.937 107.871 108.800 0.013 0.000 2.519 878 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 878 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 878 G C 0.213 175.118 174.900 0.009 0.000 1.507 878 G CA -0.232 44.872 45.100 0.006 0.000 0.806 878 G HN 0.444 nan 8.290 nan 0.000 0.523 879 T N -2.235 112.321 114.554 0.004 0.000 3.155 879 T HA 0.300 4.650 4.350 -0.000 0.000 0.264 879 T C 0.836 175.543 174.700 0.013 0.000 1.160 879 T CA 1.462 63.566 62.100 0.006 0.000 1.075 879 T CB -0.091 68.778 68.868 0.001 0.000 0.921 879 T HN 0.690 nan 8.240 nan 0.000 0.533 880 T N 0.227 114.792 114.554 0.017 0.000 2.885 880 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 880 T C 0.296 175.022 174.700 0.043 0.000 1.387 880 T CA -0.657 61.463 62.100 0.032 0.000 1.041 880 T CB 2.390 71.282 68.868 0.040 0.000 1.287 880 T HN 0.004 nan 8.240 nan 0.000 0.491 881 E N 0.907 121.141 120.200 0.056 0.000 2.038 881 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 881 E C 1.659 178.325 176.600 0.110 0.000 1.000 881 E CA 2.031 58.469 56.400 0.064 0.000 0.803 881 E CB -0.205 29.524 29.700 0.050 0.000 0.750 881 E HN 0.756 nan 8.360 nan 0.000 0.448 882 H N -0.957 118.114 119.070 0.001 0.000 2.422 882 H HA -0.087 4.469 4.556 0.000 0.000 0.298 882 H C 1.825 177.153 175.328 0.000 0.000 1.098 882 H CA 1.145 57.194 56.048 0.001 0.000 1.315 882 H CB 0.339 30.100 29.762 -0.000 0.000 1.382 882 H HN 0.115 nan 8.280 nan 0.000 0.523 883 V N 1.784 121.697 119.914 -0.001 0.000 2.283 883 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 883 V C 2.625 178.698 176.094 -0.034 0.000 1.039 883 V CA 1.804 64.057 62.300 -0.079 0.000 1.016 883 V CB -0.425 31.370 31.823 -0.047 0.000 0.650 883 V HN 0.553 nan 8.190 nan 0.000 0.449 884 I N -1.154 119.419 120.570 0.005 0.000 2.493 884 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 884 I C 2.283 178.413 176.117 0.021 0.000 1.160 884 I CA 1.951 63.259 61.300 0.012 0.000 1.445 884 I CB -0.554 37.458 38.000 0.021 0.000 1.086 884 I HN 0.389 nan 8.210 nan 0.000 0.433 885 E N 1.502 121.728 120.200 0.043 0.000 2.072 885 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 885 E C 2.034 178.661 176.600 0.045 0.000 0.985 885 E CA 1.078 57.514 56.400 0.061 0.000 0.801 885 E CB 0.098 29.868 29.700 0.117 0.000 0.750 885 E HN 0.490 nan 8.360 nan 0.000 0.452 886 E N 0.213 120.424 120.200 0.019 0.000 2.152 886 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 886 E C 2.256 178.847 176.600 -0.014 0.000 0.983 886 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 886 E CB 0.012 29.656 29.700 -0.094 0.000 0.758 886 E HN 0.205 nan 8.360 nan 0.000 0.467 887 V N 1.643 121.547 119.914 -0.016 0.000 2.407 887 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 887 V C 2.446 178.542 176.094 0.002 0.000 1.055 887 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 887 V CB -0.799 31.019 31.823 -0.008 0.000 0.662 887 V HN 0.226 nan 8.190 nan 0.000 0.455 888 A N 0.108 122.933 122.820 0.008 0.000 1.877 888 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 888 A C 2.417 180.009 177.584 0.012 0.000 1.186 888 A CA 2.049 54.093 52.037 0.011 0.000 0.620 888 A CB -0.578 18.431 19.000 0.015 0.000 0.822 888 A HN 0.479 nan 8.150 nan 0.000 0.443 889 R N -0.359 120.150 120.500 0.015 0.000 2.091 889 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 889 R C 2.278 178.587 176.300 0.014 0.000 1.136 889 R CA 1.477 57.587 56.100 0.016 0.000 0.959 889 R CB -0.419 29.894 30.300 0.022 0.000 0.856 889 R HN 0.442 nan 8.270 nan 0.000 0.437 890 A N 0.166 122.992 122.820 0.010 0.000 1.908 890 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 890 A C 2.227 179.818 177.584 0.012 0.000 1.181 890 A CA 1.671 53.714 52.037 0.011 0.000 0.627 890 A CB -0.448 18.555 19.000 0.004 0.000 0.818 890 A HN 0.243 nan 8.150 nan 0.000 0.445 891 V N 0.417 120.337 119.914 0.010 0.000 2.453 891 V HA -0.182 3.937 4.120 -0.000 0.000 0.247 891 V C 2.042 178.142 176.094 0.010 0.000 1.048 891 V CA 2.016 64.322 62.300 0.010 0.000 1.049 891 V CB -0.792 31.036 31.823 0.009 0.000 0.672 891 V HN 0.465 nan 8.190 nan 0.000 0.457 892 D N 0.322 120.728 120.400 0.010 0.000 2.149 892 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 892 D C 1.852 178.158 176.300 0.011 0.000 0.990 892 D CA 1.426 55.432 54.000 0.010 0.000 0.839 892 D CB -0.219 40.587 40.800 0.010 0.000 0.948 892 D HN 0.427 nan 8.370 nan 0.000 0.460 893 D N 0.061 120.469 120.400 0.013 0.000 2.120 893 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 893 D C 2.070 178.378 176.300 0.013 0.000 0.972 893 D CA 1.165 55.174 54.000 0.014 0.000 0.837 893 D CB -0.363 40.448 40.800 0.018 0.000 0.989 893 D HN 0.115 nan 8.370 nan 0.000 0.469 894 A N 0.764 123.593 122.820 0.014 0.000 1.908 894 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 894 A C 2.507 180.098 177.584 0.012 0.000 1.181 894 A CA 1.336 53.382 52.037 0.014 0.000 0.627 894 A CB -0.845 18.163 19.000 0.014 0.000 0.818 894 A HN 0.142 nan 8.150 nan 0.000 0.445 895 V N -0.077 119.843 119.914 0.010 0.000 2.343 895 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 895 V C 2.794 178.893 176.094 0.008 0.000 1.051 895 V CA 1.966 64.272 62.300 0.009 0.000 1.036 895 V CB -1.432 30.396 31.823 0.008 0.000 0.654 895 V HN 0.634 nan 8.190 nan 0.000 0.451 896 G N -0.245 108.560 108.800 0.008 0.000 2.433 896 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 896 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 896 G C 1.635 176.540 174.900 0.007 0.000 1.186 896 G CA 1.313 46.418 45.100 0.007 0.000 0.779 896 G HN 0.405 nan 8.290 nan 0.000 0.543 897 V N 0.342 120.261 119.914 0.008 0.000 2.548 897 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 897 V C 2.968 179.066 176.094 0.008 0.000 1.055 897 V CA 1.078 63.382 62.300 0.008 0.000 1.065 897 V CB -0.024 31.805 31.823 0.009 0.000 0.681 897 V HN 0.227 nan 8.190 nan 0.000 0.462 898 V N 1.168 121.087 119.914 0.008 0.000 2.427 898 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 898 V C 2.602 178.701 176.094 0.007 0.000 1.051 898 V CA 2.128 64.433 62.300 0.008 0.000 1.048 898 V CB -1.220 30.609 31.823 0.009 0.000 0.666 898 V HN 0.603 nan 8.190 nan 0.000 0.456 899 G N -1.369 107.435 108.800 0.006 0.000 2.402 899 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 899 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 899 G C 1.758 176.660 174.900 0.005 0.000 1.162 899 G CA 1.215 46.318 45.100 0.005 0.000 0.777 899 G HN 0.518 nan 8.290 nan 0.000 0.539 900 C N 0.484 119.787 119.300 0.005 0.000 2.413 900 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 900 C C 3.232 178.225 174.990 0.005 0.000 1.248 900 C CA 1.624 60.644 59.018 0.005 0.000 1.742 900 C CB -0.932 26.811 27.740 0.005 0.000 2.017 900 C HN 0.424 nan 8.230 nan 0.000 0.481 901 T N 0.537 115.094 114.554 0.005 0.000 2.951 901 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 901 T C 1.516 176.219 174.700 0.005 0.000 1.073 901 T CA 0.909 63.012 62.100 0.005 0.000 1.134 901 T CB -0.186 68.686 68.868 0.006 0.000 0.884 901 T HN 0.328 nan 8.240 nan 0.000 0.479 902 I N 1.151 121.724 120.570 0.005 0.000 2.500 902 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 902 I C 2.248 178.367 176.117 0.003 0.000 1.142 902 I CA 1.224 62.527 61.300 0.004 0.000 1.451 902 I CB -0.191 37.812 38.000 0.004 0.000 1.093 902 I HN 0.257 nan 8.210 nan 0.000 0.430 903 E N -0.737 119.465 120.200 0.003 0.000 2.140 903 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 903 E C 0.207 176.809 176.600 0.003 0.000 0.973 903 E CA 0.497 56.898 56.400 0.003 0.000 0.829 903 E CB 0.254 29.956 29.700 0.003 0.000 0.781 903 E HN 0.226 nan 8.360 nan 0.000 0.466 904 D N -0.485 119.917 120.400 0.004 0.000 2.446 904 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 904 D C 0.280 176.583 176.300 0.005 0.000 1.137 904 D CA -0.392 53.611 54.000 0.004 0.000 0.890 904 D CB 1.136 41.938 40.800 0.005 0.000 1.071 904 D HN 0.045 nan 8.370 nan 0.000 0.528 905 G N 3.107 111.910 108.800 0.005 0.000 3.194 905 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 905 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 905 G C 0.501 175.404 174.900 0.006 0.000 1.240 905 G CA 0.063 45.166 45.100 0.005 0.000 1.044 905 G HN 0.245 nan 8.290 nan 0.000 0.495 906 R N -0.387 120.116 120.500 0.006 0.000 2.637 906 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 906 R C 0.102 176.406 176.300 0.007 0.000 0.963 906 R CA -0.638 55.466 56.100 0.007 0.000 0.901 906 R CB 1.698 32.002 30.300 0.008 0.000 1.160 906 R HN 0.323 nan 8.270 nan 0.000 0.457 907 I N -1.876 118.698 120.570 0.007 0.000 3.145 907 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 907 I C -1.138 174.984 176.117 0.008 0.000 1.122 907 I CA -1.317 59.987 61.300 0.007 0.000 0.987 907 I CB 2.476 40.479 38.000 0.006 0.000 1.236 907 I HN 0.325 nan 8.210 nan 0.000 0.453 908 V N 1.529 121.446 119.914 0.006 0.000 3.077 908 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 908 V C -0.342 175.754 176.094 0.003 0.000 1.276 908 V CA -0.269 62.035 62.300 0.007 0.000 0.993 908 V CB 2.605 34.431 31.823 0.006 0.000 1.076 908 V HN 0.993 nan 8.190 nan 0.000 0.434 909 S N 3.483 119.187 115.700 0.008 0.000 2.560 909 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 909 S C 0.569 175.159 174.600 -0.017 0.000 1.327 909 S CA 0.377 58.578 58.200 0.002 0.000 1.055 909 S CB 1.239 64.451 63.200 0.021 0.000 0.868 909 S HN 1.229 nan 8.310 nan 0.000 0.506 910 G N 0.621 109.404 108.800 -0.028 0.000 2.945 910 G HA2 0.522 4.482 3.960 -0.000 0.000 0.156 910 G HA3 0.522 4.482 3.960 -0.000 0.000 0.156 910 G C 0.889 175.755 174.900 -0.057 0.000 1.375 910 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 910 G HN 1.526 nan 8.290 nan 0.000 0.586 911 G N -1.501 107.257 108.800 -0.069 0.000 2.258 911 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 911 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 911 G C 1.413 176.266 174.900 -0.079 0.000 1.021 911 G CA 1.253 46.306 45.100 -0.077 0.000 0.798 911 G HN 2.421 nan 8.290 nan 0.000 0.507 912 G N -1.458 107.295 108.800 -0.078 0.000 2.160 912 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 912 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 912 G C 1.331 176.163 174.900 -0.113 0.000 1.008 912 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 912 G HN 1.904 nan 8.290 nan 0.000 0.514 913 S N -0.348 115.281 115.700 -0.118 0.000 2.383 913 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 913 S C 2.821 177.334 174.600 -0.145 0.000 1.026 913 S CA 2.560 60.653 58.200 -0.179 0.000 0.981 913 S CB -0.456 62.674 63.200 -0.118 0.000 0.818 913 S HN 1.285 nan 8.310 nan 0.000 0.472 914 T N 0.208 114.714 114.554 -0.080 0.000 2.622 914 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 914 T C 1.581 176.249 174.700 -0.054 0.000 1.047 914 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 914 T CB -0.979 67.873 68.868 -0.026 0.000 0.863 914 T HN 0.386 nan 8.240 nan 0.000 0.422 915 E N 0.842 121.004 120.200 -0.064 0.000 2.171 915 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 915 E C 2.261 178.815 176.600 -0.077 0.000 0.997 915 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 915 E CB -0.662 28.987 29.700 -0.084 0.000 0.738 915 E HN 0.414 nan 8.360 nan 0.000 0.467 916 V N 0.899 120.745 119.914 -0.113 0.000 2.379 916 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 916 V C 2.118 178.151 176.094 -0.102 0.000 1.044 916 V CA 1.471 63.693 62.300 -0.130 0.000 1.036 916 V CB -0.316 31.375 31.823 -0.219 0.000 0.664 916 V HN 0.220 nan 8.190 nan 0.000 0.453 917 E N 0.055 120.196 120.200 -0.098 0.000 2.051 917 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 917 E C 2.193 178.775 176.600 -0.029 0.000 0.991 917 E CA 1.183 57.563 56.400 -0.033 0.000 0.799 917 E CB -0.308 29.392 29.700 -0.000 0.000 0.748 917 E HN 0.338 nan 8.360 nan 0.000 0.449 918 L N 0.946 122.158 121.223 -0.018 0.000 2.046 918 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 918 L C 2.577 179.443 176.870 -0.007 0.000 1.077 918 L CA 1.466 56.312 54.840 0.010 0.000 0.747 918 L CB -1.245 40.845 42.059 0.052 0.000 0.896 918 L HN 0.041 nan 8.230 nan 0.000 0.432 919 S N -1.246 114.442 115.700 -0.020 0.000 2.368 919 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 919 S C 2.049 176.619 174.600 -0.050 0.000 1.030 919 S CA 1.634 59.820 58.200 -0.023 0.000 0.999 919 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 919 S HN 0.330 nan 8.310 nan 0.000 0.459 920 M N 1.303 120.864 119.600 -0.066 0.000 2.066 920 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 920 M C 1.787 177.985 176.300 -0.171 0.000 1.074 920 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 920 M CB -0.528 32.042 32.600 -0.051 0.000 1.306 920 M HN 0.041 nan 8.290 nan 0.000 0.411 921 K N 0.084 120.340 120.400 -0.241 0.000 2.097 921 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 921 K C 1.892 177.939 176.600 -0.922 0.000 1.049 921 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 921 K CB -0.776 31.455 32.500 -0.448 0.000 0.717 921 K HN 0.397 nan 8.250 nan 0.000 0.442 922 L N 0.355 121.338 121.223 -0.400 0.000 2.131 922 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 922 L C 2.593 179.416 176.870 -0.079 0.000 1.092 922 L CA 0.919 55.671 54.840 -0.146 0.000 0.759 922 L CB -0.291 41.797 42.059 0.047 0.000 0.903 922 L HN 0.179 nan 8.230 nan 0.000 0.435 923 R N 0.754 121.193 120.500 -0.102 0.000 2.092 923 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 923 R C 1.864 178.141 176.300 -0.040 0.000 1.119 923 R CA 1.544 57.619 56.100 -0.041 0.000 0.970 923 R CB -0.055 30.224 30.300 -0.036 0.000 0.864 923 R HN 0.485 nan 8.270 nan 0.000 0.440 924 E N -0.786 119.342 120.200 -0.119 0.000 2.072 924 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 924 E C 1.886 178.546 176.600 0.100 0.000 0.982 924 E CA 0.942 57.313 56.400 -0.048 0.000 0.803 924 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 924 E HN 0.317 nan 8.360 nan 0.000 0.453 925 Y N 0.807 121.117 120.300 0.016 0.000 2.207 925 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 925 Y C 2.398 178.305 175.900 0.011 0.000 1.156 925 Y CA 0.646 58.752 58.100 0.010 0.000 1.182 925 Y CB -1.252 37.212 38.460 0.006 0.000 0.979 925 Y HN 0.041 nan 8.280 nan 0.000 0.521 926 A N 0.326 123.247 122.820 0.168 0.000 1.883 926 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 926 A C 2.204 179.833 177.584 0.077 0.000 1.186 926 A CA 1.851 53.949 52.037 0.102 0.000 0.624 926 A CB -0.485 18.561 19.000 0.078 0.000 0.822 926 A HN 0.343 nan 8.150 nan 0.000 0.444 927 E N -0.534 119.708 120.200 0.070 0.000 2.150 927 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 927 E C 2.157 178.790 176.600 0.055 0.000 0.985 927 E CA 1.081 57.513 56.400 0.053 0.000 0.814 927 E CB -0.653 29.073 29.700 0.043 0.000 0.752 927 E HN 0.603 nan 8.360 nan 0.000 0.466 928 G N 1.153 109.999 108.800 0.076 0.000 2.402 928 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 928 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 928 G C 1.740 176.663 174.900 0.039 0.000 1.162 928 G CA 0.406 45.542 45.100 0.061 0.000 0.777 928 G HN 0.179 nan 8.290 nan 0.000 0.539 929 I N -0.145 120.451 120.570 0.044 0.000 2.286 929 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 929 I C 1.748 177.879 176.117 0.023 0.000 1.104 929 I CA 0.624 61.940 61.300 0.026 0.000 1.397 929 I CB -0.276 37.741 38.000 0.029 0.000 1.072 929 I HN 0.319 nan 8.210 nan 0.000 0.417 930 S N -0.724 114.994 115.700 0.030 0.000 3.307 930 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 930 S C 0.590 175.202 174.600 0.020 0.000 2.711 930 S CA 0.943 59.157 58.200 0.025 0.000 2.940 930 S CB -1.372 61.840 63.200 0.019 0.000 0.331 930 S HN 1.370 nan 8.310 nan 0.000 1.766 931 G N 0.624 109.433 108.800 0.016 0.000 2.569 931 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 931 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 931 G C 0.149 175.058 174.900 0.016 0.000 1.263 931 G CA 1.165 46.273 45.100 0.013 0.000 0.928 931 G HN 1.159 nan 8.290 nan 0.000 0.572 932 R N 0.299 120.807 120.500 0.013 0.000 2.153 932 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 932 R C 2.596 178.906 176.300 0.016 0.000 1.072 932 R CA 1.802 57.911 56.100 0.015 0.000 0.990 932 R CB -0.364 29.945 30.300 0.014 0.000 0.889 932 R HN 0.707 nan 8.270 nan 0.000 0.452 933 E N 0.470 120.677 120.200 0.012 0.000 2.160 933 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 933 E C 1.810 178.429 176.600 0.032 0.000 0.991 933 E CA 1.454 57.861 56.400 0.012 0.000 0.810 933 E CB -0.010 29.692 29.700 0.004 0.000 0.742 933 E HN 0.534 nan 8.360 nan 0.000 0.466 934 Q N 0.444 120.266 119.800 0.036 0.000 2.170 934 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 934 Q C 1.976 178.014 176.000 0.063 0.000 0.976 934 Q CA 1.048 56.882 55.803 0.052 0.000 0.858 934 Q CB -0.171 28.593 28.738 0.045 0.000 0.907 934 Q HN 0.166 nan 8.270 nan 0.000 0.433 935 L N 1.164 122.419 121.223 0.052 0.000 2.093 935 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 935 L C 2.559 179.483 176.870 0.089 0.000 1.085 935 L CA 1.898 56.773 54.840 0.060 0.000 0.755 935 L CB -1.077 41.006 42.059 0.039 0.000 0.904 935 L HN 0.410 nan 8.230 nan 0.000 0.435 936 A N -1.244 121.621 122.820 0.074 0.000 1.898 936 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 936 A C 2.331 180.076 177.584 0.268 0.000 1.181 936 A CA 1.678 53.770 52.037 0.092 0.000 0.620 936 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 936 A HN 0.193 nan 8.150 nan 0.000 0.442 937 V N -0.125 119.901 119.914 0.186 0.000 2.515 937 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 937 V C 2.575 178.798 176.094 0.217 0.000 1.058 937 V CA 2.043 64.461 62.300 0.198 0.000 1.064 937 V CB -0.795 31.098 31.823 0.117 0.000 0.675 937 V HN 0.607 nan 8.190 nan 0.000 0.461 938 R N 0.228 120.828 120.500 0.167 0.000 2.075 938 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 938 R C 2.290 178.679 176.300 0.148 0.000 1.126 938 R CA 1.499 57.676 56.100 0.128 0.000 0.963 938 R CB -0.344 30.008 30.300 0.087 0.000 0.858 938 R HN 0.490 nan 8.270 nan 0.000 0.435 939 A N 0.003 122.950 122.820 0.212 0.000 1.969 939 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 939 A C 1.906 179.597 177.584 0.178 0.000 1.169 939 A CA 0.892 53.063 52.037 0.223 0.000 0.635 939 A CB -0.624 18.566 19.000 0.317 0.000 0.810 939 A HN 0.483 nan 8.150 nan 0.000 0.445 940 F N 0.883 120.879 119.950 0.077 0.000 2.134 940 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 940 F C 2.518 178.248 175.800 -0.118 0.000 1.097 940 F CA 1.285 59.161 58.000 -0.207 0.000 1.264 940 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 940 F HN 0.249 nan 8.300 nan 0.000 0.479 941 A N -0.273 122.644 122.820 0.161 0.000 1.933 941 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 941 A C 1.876 179.437 177.584 -0.037 0.000 1.175 941 A CA 1.964 54.040 52.037 0.064 0.000 0.628 941 A CB -0.862 18.188 19.000 0.083 0.000 0.814 941 A HN 0.413 nan 8.150 nan 0.000 0.444 942 D N -0.104 120.281 120.400 -0.026 0.000 2.224 942 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 942 D C 2.119 178.360 176.300 -0.098 0.000 0.965 942 D CA 1.227 55.200 54.000 -0.044 0.000 0.852 942 D CB -0.284 40.512 40.800 -0.007 0.000 0.947 942 D HN 0.421 nan 8.370 nan 0.000 0.494 943 A N 0.538 123.256 122.820 -0.170 0.000 1.969 943 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 943 A C 2.243 179.663 177.584 -0.274 0.000 1.169 943 A CA 0.550 52.440 52.037 -0.244 0.000 0.635 943 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 943 A HN 0.204 nan 8.150 nan 0.000 0.445 944 L N -0.574 120.467 121.223 -0.305 0.000 2.265 944 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 944 L C 2.411 179.187 176.870 -0.157 0.000 1.117 944 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 944 L CB -0.419 41.516 42.059 -0.207 0.000 0.914 944 L HN 0.564 nan 8.230 nan 0.000 0.441 945 E N 0.001 120.125 120.200 -0.128 0.000 2.409 945 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 945 E C 2.202 178.750 176.600 -0.086 0.000 1.024 945 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 945 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 945 E HN 0.307 nan 8.360 nan 0.000 0.521 946 V N 0.871 120.726 119.914 -0.098 0.000 2.469 946 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 946 V C 1.920 177.969 176.094 -0.075 0.000 1.064 946 V CA 1.224 63.474 62.300 -0.082 0.000 1.066 946 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 946 V HN 0.324 nan 8.190 nan 0.000 0.461 947 I N 0.636 121.156 120.570 -0.084 0.000 2.113 947 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 947 I C 0.309 176.387 176.117 -0.066 0.000 1.070 947 I CA 1.827 63.083 61.300 -0.074 0.000 1.332 947 I CB -3.031 34.921 38.000 -0.080 0.000 1.044 947 I HN 0.336 nan 8.210 nan 0.000 0.402 948 P HA -0.137 nan 4.420 nan 0.000 0.216 948 P C 1.727 178.996 177.300 -0.052 0.000 1.153 948 P CA 1.397 64.460 63.100 -0.062 0.000 0.858 948 P CB -0.121 31.540 31.700 -0.066 0.000 0.789 949 R N -0.637 119.832 120.500 -0.051 0.000 2.091 949 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 949 R C 2.152 178.429 176.300 -0.038 0.000 1.136 949 R CA 2.209 58.284 56.100 -0.043 0.000 0.959 949 R CB -2.034 28.240 30.300 -0.044 0.000 0.856 949 R HN 0.356 nan 8.270 nan 0.000 0.437 950 T N -1.901 112.629 114.554 -0.041 0.000 3.057 950 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 950 T C 1.904 176.584 174.700 -0.033 0.000 1.094 950 T CA -0.046 62.033 62.100 -0.035 0.000 1.088 950 T CB -0.015 68.831 68.868 -0.036 0.000 0.934 950 T HN -0.103 nan 8.240 nan 0.000 0.497 951 L N 1.812 123.011 121.223 -0.040 0.000 2.027 951 L HA 0.297 4.637 4.340 -0.000 0.000 0.206 951 L C 2.934 179.782 176.870 -0.037 0.000 1.074 951 L CA 1.767 56.581 54.840 -0.043 0.000 0.745 951 L CB -1.168 40.858 42.059 -0.054 0.000 0.898 951 L HN 0.429 nan 8.230 nan 0.000 0.433 952 A N -1.642 121.157 122.820 -0.035 0.000 2.021 952 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 952 A C 2.278 179.851 177.584 -0.018 0.000 1.163 952 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 952 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 952 A HN 0.465 nan 8.150 nan 0.000 0.453 953 E N 0.339 120.527 120.200 -0.020 0.000 2.028 953 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 953 E C 1.483 178.077 176.600 -0.010 0.000 0.988 953 E CA 1.336 57.727 56.400 -0.015 0.000 0.799 953 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 953 E HN 0.512 nan 8.360 nan 0.000 0.447 954 N N 0.304 118.997 118.700 -0.011 0.000 2.309 954 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 954 N C 1.396 176.908 175.510 0.003 0.000 1.018 954 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 954 N CB -0.216 38.266 38.487 -0.008 0.000 0.972 954 N HN 0.233 nan 8.380 nan 0.000 0.434 955 A N -0.125 122.695 122.820 0.000 0.000 2.067 955 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 955 A C 1.512 179.105 177.584 0.015 0.000 1.156 955 A CA 1.108 53.152 52.037 0.011 0.000 0.683 955 A CB -0.371 18.629 19.000 0.000 0.000 0.808 955 A HN 0.312 nan 8.150 nan 0.000 0.455 956 G N -1.327 107.476 108.800 0.006 0.000 2.149 956 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 956 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 956 G C -0.026 174.877 174.900 0.005 0.000 1.018 956 G CA 0.285 45.389 45.100 0.006 0.000 0.728 956 G HN 0.432 nan 8.290 nan 0.000 0.508 957 L N 0.133 121.356 121.223 0.001 0.000 2.399 957 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 957 L C 0.546 177.413 176.870 -0.006 0.000 1.089 957 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 957 L CB 0.845 42.901 42.059 -0.005 0.000 1.180 957 L HN 0.095 nan 8.230 nan 0.000 0.454 958 D N 1.184 121.581 120.400 -0.005 0.000 2.346 958 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 958 D C 0.754 177.047 176.300 -0.012 0.000 1.320 958 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 958 D CB 1.603 42.400 40.800 -0.005 0.000 1.079 958 D HN 0.638 nan 8.370 nan 0.000 0.509 959 A N 4.924 127.736 122.820 -0.014 0.000 1.908 959 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 959 A C 2.301 179.873 177.584 -0.020 0.000 1.181 959 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 959 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 959 A HN 0.755 nan 8.150 nan 0.000 0.445 960 I N -1.070 119.491 120.570 -0.016 0.000 2.142 960 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 960 I C 2.607 178.716 176.117 -0.013 0.000 1.078 960 I CA 1.860 63.151 61.300 -0.015 0.000 1.343 960 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 960 I HN 0.368 nan 8.210 nan 0.000 0.405 961 E N 1.226 121.420 120.200 -0.011 0.000 2.072 961 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 961 E C 2.131 178.726 176.600 -0.009 0.000 0.985 961 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 961 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 961 E HN 0.238 nan 8.360 nan 0.000 0.452 962 I N 0.371 120.934 120.570 -0.012 0.000 2.127 962 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 962 I C 2.079 178.185 176.117 -0.017 0.000 1.075 962 I CA 0.947 62.239 61.300 -0.014 0.000 1.334 962 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 962 I HN 0.226 nan 8.210 nan 0.000 0.405 963 L N 0.148 121.357 121.223 -0.022 0.000 2.042 963 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 963 L C 2.622 179.481 176.870 -0.019 0.000 1.076 963 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 963 L CB -1.205 40.835 42.059 -0.031 0.000 0.893 963 L HN 0.018 nan 8.230 nan 0.000 0.432 964 V N -0.827 119.079 119.914 -0.013 0.000 2.358 964 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 964 V C 2.601 178.694 176.094 -0.001 0.000 1.047 964 V CA 1.347 63.643 62.300 -0.007 0.000 1.035 964 V CB -0.520 31.299 31.823 -0.006 0.000 0.658 964 V HN 0.380 nan 8.190 nan 0.000 0.452 965 K N -0.071 120.329 120.400 -0.001 0.000 2.057 965 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 965 K C 2.141 178.747 176.600 0.010 0.000 1.050 965 K CA 1.052 57.341 56.287 0.004 0.000 0.935 965 K CB -0.715 31.786 32.500 0.001 0.000 0.715 965 K HN 0.383 nan 8.250 nan 0.000 0.439 966 V N 1.535 121.451 119.914 0.004 0.000 2.261 966 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 966 V C 2.496 178.611 176.094 0.035 0.000 1.047 966 V CA 1.661 63.968 62.300 0.011 0.000 1.015 966 V CB -0.429 31.386 31.823 -0.014 0.000 0.642 966 V HN 0.299 nan 8.190 nan 0.000 0.446 967 R N 0.042 120.550 120.500 0.013 0.000 2.091 967 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 967 R C 2.414 178.757 176.300 0.071 0.000 1.136 967 R CA 1.581 57.699 56.100 0.029 0.000 0.959 967 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 967 R HN 0.558 nan 8.270 nan 0.000 0.437 968 A N 1.253 124.097 122.820 0.041 0.000 1.858 968 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 968 A C 2.406 180.012 177.584 0.038 0.000 1.190 968 A CA 1.727 53.783 52.037 0.033 0.000 0.617 968 A CB -0.803 18.208 19.000 0.017 0.000 0.827 968 A HN 0.405 nan 8.150 nan 0.000 0.443 969 A N -1.212 121.632 122.820 0.041 0.000 1.908 969 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 969 A C 2.154 179.766 177.584 0.046 0.000 1.181 969 A CA 1.868 53.926 52.037 0.035 0.000 0.627 969 A CB -0.991 18.028 19.000 0.032 0.000 0.818 969 A HN 0.791 nan 8.150 nan 0.000 0.445 970 H N 0.023 119.085 119.070 -0.013 0.000 2.353 970 H HA -0.046 4.510 4.556 0.000 0.000 0.300 970 H C 2.207 177.528 175.328 -0.012 0.000 1.090 970 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 970 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 970 H HN 0.397 nan 8.280 nan 0.000 0.508 971 A N -0.082 122.748 122.820 0.017 0.000 2.019 971 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 971 A C 2.700 180.239 177.584 -0.075 0.000 1.164 971 A CA 1.799 53.817 52.037 -0.033 0.000 0.644 971 A CB -0.624 18.396 19.000 0.034 0.000 0.805 971 A HN 0.511 nan 8.150 nan 0.000 0.449 972 S N -0.556 115.109 115.700 -0.058 0.000 2.370 972 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 972 S C 1.792 176.351 174.600 -0.068 0.000 1.033 972 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 972 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 972 S HN 0.568 nan 8.310 nan 0.000 0.521 973 N N 1.309 119.969 118.700 -0.067 0.000 2.396 973 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 973 N C 1.069 176.520 175.510 -0.099 0.000 1.028 973 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 973 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 973 N HN 0.634 nan 8.380 nan 0.000 0.440 974 G N 0.336 109.021 108.800 -0.193 0.000 2.378 974 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 974 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 974 G C 0.050 174.728 174.900 -0.369 0.000 1.223 974 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 974 G HN 0.263 nan 8.290 nan 0.000 0.530 975 N N 0.431 119.027 118.700 -0.174 0.000 2.415 975 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 975 N C 1.617 177.167 175.510 0.067 0.000 1.048 975 N CA 1.168 54.225 53.050 0.011 0.000 0.895 975 N CB 0.140 38.660 38.487 0.055 0.000 1.036 975 N HN 0.609 nan 8.380 nan 0.000 0.449 976 K N -0.652 119.757 120.400 0.015 0.000 2.399 976 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 976 K C -0.540 176.068 176.600 0.013 0.000 1.023 976 K CA 0.010 56.308 56.287 0.019 0.000 1.127 976 K CB 0.332 32.837 32.500 0.008 0.000 0.856 976 K HN 0.016 nan 8.250 nan 0.000 0.514 977 C N 1.294 120.601 119.300 0.011 0.000 3.401 977 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 977 C C 0.406 175.412 174.990 0.026 0.000 1.522 977 C CA -0.507 58.515 59.018 0.007 0.000 1.409 977 C CB -0.543 27.188 27.740 -0.015 0.000 1.967 977 C HN 0.662 nan 8.230 nan 0.000 0.496 978 A N 0.476 123.326 122.820 0.050 0.000 3.169 978 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 978 A C 0.531 178.136 177.584 0.034 0.000 1.265 978 A CA 0.558 52.637 52.037 0.069 0.000 2.339 978 A CB -0.750 18.346 19.000 0.160 0.000 2.810 978 A HN 1.985 nan 8.150 nan 0.000 1.169 979 G N -1.368 107.450 108.800 0.031 0.000 2.960 979 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 979 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 979 G C -0.321 174.563 174.900 -0.027 0.000 1.492 979 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 979 G HN 2.017 nan 8.290 nan 0.000 0.555 980 L N 0.084 121.277 121.223 -0.051 0.000 2.312 980 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 980 L C 0.232 177.050 176.870 -0.086 0.000 1.070 980 L CA -0.827 53.978 54.840 -0.058 0.000 0.805 980 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 980 L HN 0.674 nan 8.230 nan 0.000 0.434 981 N N 3.113 121.769 118.700 -0.074 0.000 2.800 981 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 981 N C 0.659 176.109 175.510 -0.098 0.000 1.096 981 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 981 N CB 0.941 39.402 38.487 -0.044 0.000 1.138 981 N HN 0.515 nan 8.380 nan 0.000 0.509 982 V N 2.525 122.325 119.914 -0.189 0.000 2.453 982 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 982 V C 1.486 177.624 176.094 0.073 0.000 1.068 982 V CA 1.546 63.785 62.300 -0.101 0.000 1.070 982 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 982 V HN 0.581 nan 8.190 nan 0.000 0.461 983 F N 1.181 121.129 119.950 -0.004 0.000 2.146 983 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 983 F C 2.665 178.464 175.800 -0.003 0.000 1.096 983 F CA 1.775 59.773 58.000 -0.004 0.000 1.275 983 F CB -1.584 37.414 39.000 -0.004 0.000 1.008 983 F HN 0.383 nan 8.300 nan 0.000 0.480 984 T N -3.751 110.915 114.554 0.187 0.000 3.044 984 T HA 0.370 4.720 4.350 -0.000 0.000 0.250 984 T C 1.562 176.299 174.700 0.061 0.000 1.081 984 T CA 0.476 62.636 62.100 0.100 0.000 1.040 984 T CB -0.122 68.792 68.868 0.077 0.000 0.962 984 T HN 0.421 nan 8.240 nan 0.000 0.506 985 G N 1.192 110.024 108.800 0.052 0.000 2.295 985 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 985 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 985 G C 0.112 175.021 174.900 0.015 0.000 1.055 985 G CA -0.055 45.062 45.100 0.027 0.000 0.922 985 G HN 1.442 nan 8.290 nan 0.000 0.503 986 A N -1.699 121.127 122.820 0.011 0.000 2.608 986 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 986 A C 0.309 177.894 177.584 0.002 0.000 1.066 986 A CA 0.048 52.089 52.037 0.008 0.000 0.676 986 A CB 0.882 19.890 19.000 0.013 0.000 1.277 986 A HN 1.942 nan 8.150 nan 0.000 0.413 987 V N -0.647 119.268 119.914 0.003 0.000 3.209 987 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 987 V C 0.173 176.271 176.094 0.006 0.000 1.127 987 V CA 0.366 62.669 62.300 0.004 0.000 1.235 987 V CB 0.181 32.010 31.823 0.011 0.000 0.987 987 V HN 0.940 nan 8.190 nan 0.000 0.499 988 E N 0.678 120.882 120.200 0.006 0.000 2.296 988 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 988 E C -1.412 175.194 176.600 0.010 0.000 0.949 988 E CA -0.597 55.808 56.400 0.008 0.000 0.879 988 E CB 0.821 30.525 29.700 0.008 0.000 1.922 988 E HN 0.877 nan 8.360 nan 0.000 0.437 989 D N 1.261 121.666 120.400 0.009 0.000 2.441 989 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 989 D C 0.869 177.174 176.300 0.008 0.000 1.073 989 D CA -0.304 53.702 54.000 0.009 0.000 0.850 989 D CB 0.802 41.607 40.800 0.008 0.000 1.062 989 D HN 0.188 nan 8.370 nan 0.000 0.524 990 M N 1.948 121.552 119.600 0.007 0.000 2.117 990 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 990 M C 2.281 178.583 176.300 0.005 0.000 1.065 990 M CA 0.859 56.160 55.300 0.001 0.000 1.114 990 M CB -1.093 31.508 32.600 0.001 0.000 1.361 990 M HN 0.547 nan 8.290 nan 0.000 0.408 991 C N 0.447 119.752 119.300 0.008 0.000 2.453 991 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 991 C C 2.713 177.708 174.990 0.009 0.000 1.262 991 C CA 1.496 60.519 59.018 0.008 0.000 1.718 991 C CB -0.857 26.889 27.740 0.008 0.000 2.031 991 C HN 0.596 nan 8.230 nan 0.000 0.480 992 E N 1.153 121.358 120.200 0.009 0.000 2.118 992 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 992 E C 1.611 178.219 176.600 0.014 0.000 0.992 992 E CA 1.680 58.086 56.400 0.010 0.000 0.804 992 E CB -0.373 29.332 29.700 0.010 0.000 0.741 992 E HN 0.632 nan 8.360 nan 0.000 0.458 993 N N -0.434 118.275 118.700 0.015 0.000 2.398 993 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 993 N C 0.544 176.067 175.510 0.020 0.000 1.122 993 N CA 0.898 53.960 53.050 0.021 0.000 0.866 993 N CB 0.529 39.029 38.487 0.022 0.000 0.970 993 N HN 0.287 nan 8.380 nan 0.000 0.462 994 G N 0.540 109.349 108.800 0.014 0.000 2.283 994 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 994 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 994 G C -0.090 174.816 174.900 0.010 0.000 1.029 994 G CA 0.261 45.369 45.100 0.013 0.000 0.840 994 G HN 0.200 nan 8.290 nan 0.000 0.505 995 V N 1.063 120.979 119.914 0.002 0.000 2.222 995 V HA 0.478 4.598 4.120 -0.000 0.000 0.253 995 V C 0.792 176.877 176.094 -0.015 0.000 1.210 995 V CA 0.067 62.360 62.300 -0.012 0.000 1.079 995 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 995 V HN 0.961 nan 8.190 nan 0.000 0.494 996 V N 1.912 121.821 119.914 -0.007 0.000 2.914 996 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 996 V C -0.574 175.516 176.094 -0.007 0.000 1.084 996 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 996 V CB 2.296 34.119 31.823 0.000 0.000 1.025 996 V HN 0.777 nan 8.190 nan 0.000 0.432 997 E N 2.148 122.343 120.200 -0.008 0.000 2.336 997 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 997 E C -3.108 173.490 176.600 -0.002 0.000 0.906 997 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 997 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 997 E HN 0.494 nan 8.360 nan 0.000 0.436 998 P HA -0.032 nan 4.420 nan 0.000 0.269 998 P C 0.336 177.637 177.300 0.001 0.000 1.209 998 P CA -0.410 62.691 63.100 0.002 0.000 0.776 998 P CB 0.524 32.225 31.700 0.002 0.000 0.876 999 L N 3.407 124.632 121.223 0.004 0.000 2.093 999 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 999 L C 2.202 179.076 176.870 0.006 0.000 1.085 999 L CA 1.715 56.558 54.840 0.005 0.000 0.755 999 L CB -0.627 41.436 42.059 0.008 0.000 0.904 999 L HN 0.268 nan 8.230 nan 0.000 0.435 1000 R N -1.442 119.062 120.500 0.005 0.000 2.127 1000 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 1000 R C 2.103 178.405 176.300 0.004 0.000 1.134 1000 R CA 1.415 57.519 56.100 0.005 0.000 0.975 1000 R CB -0.598 29.705 30.300 0.005 0.000 0.865 1000 R HN 0.293 nan 8.270 nan 0.000 0.447 1001 V N 1.362 121.278 119.914 0.002 0.000 2.255 1001 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 1001 V C 2.289 178.383 176.094 -0.001 0.000 1.051 1001 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 1001 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 1001 V HN 0.221 nan 8.190 nan 0.000 0.445 1002 K N -0.264 120.135 120.400 -0.001 0.000 2.103 1002 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 1002 K C 2.233 178.838 176.600 0.008 0.000 1.052 1002 K CA 1.566 57.853 56.287 -0.001 0.000 0.945 1002 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 1002 K HN 0.501 nan 8.250 nan 0.000 0.443 1003 T N 1.343 115.903 114.554 0.011 0.000 2.737 1003 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 1003 T C 1.927 176.638 174.700 0.017 0.000 1.038 1003 T CA 1.434 63.545 62.100 0.017 0.000 1.144 1003 T CB -0.074 68.803 68.868 0.015 0.000 0.866 1003 T HN 0.157 nan 8.240 nan 0.000 0.434 1004 Q N 1.316 121.123 119.800 0.012 0.000 2.079 1004 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 1004 Q C 2.312 178.319 176.000 0.012 0.000 0.974 1004 Q CA 1.667 57.477 55.803 0.012 0.000 0.840 1004 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 1004 Q HN 0.471 nan 8.270 nan 0.000 0.430 1005 A N 0.401 123.226 122.820 0.008 0.000 1.892 1005 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 1005 A C 2.145 179.735 177.584 0.010 0.000 1.188 1005 A CA 1.780 53.819 52.037 0.003 0.000 0.631 1005 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 1005 A HN 0.489 nan 8.150 nan 0.000 0.447 1006 I N -1.087 119.495 120.570 0.020 0.000 2.202 1006 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 1006 I C 2.783 178.932 176.117 0.052 0.000 1.091 1006 I CA 1.776 63.102 61.300 0.043 0.000 1.368 1006 I CB -0.347 37.693 38.000 0.067 0.000 1.058 1006 I HN 0.439 nan 8.210 nan 0.000 0.410 1007 Q N 1.101 120.925 119.800 0.039 0.000 1.975 1007 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 1007 Q C 2.295 178.315 176.000 0.034 0.000 0.990 1007 Q CA 2.631 58.455 55.803 0.036 0.000 0.845 1007 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 1007 Q HN 0.327 nan 8.270 nan 0.000 0.420 1008 S N 0.192 115.907 115.700 0.025 0.000 2.383 1008 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 1008 S C 1.897 176.512 174.600 0.024 0.000 1.030 1008 S CA 0.986 59.199 58.200 0.021 0.000 1.002 1008 S CB -0.666 62.543 63.200 0.014 0.000 0.829 1008 S HN 0.587 nan 8.310 nan 0.000 0.467 1009 A N 1.549 124.383 122.820 0.024 0.000 1.877 1009 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 1009 A C 2.363 179.971 177.584 0.041 0.000 1.186 1009 A CA 1.726 53.776 52.037 0.021 0.000 0.620 1009 A CB -1.080 17.924 19.000 0.005 0.000 0.822 1009 A HN 0.524 nan 8.150 nan 0.000 0.443 1010 A N -0.319 122.539 122.820 0.065 0.000 1.930 1010 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 1010 A C 1.885 179.518 177.584 0.081 0.000 1.175 1010 A CA 1.512 53.608 52.037 0.099 0.000 0.627 1010 A CB -0.503 18.571 19.000 0.123 0.000 0.815 1010 A HN 0.625 nan 8.150 nan 0.000 0.443 1011 E N 0.056 120.290 120.200 0.058 0.000 2.153 1011 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1011 E C 2.165 178.792 176.600 0.044 0.000 0.988 1011 E CA 1.242 57.670 56.400 0.047 0.000 0.811 1011 E CB -0.094 29.626 29.700 0.034 0.000 0.746 1011 E HN 0.605 nan 8.360 nan 0.000 0.466 1012 S N 0.182 115.907 115.700 0.041 0.000 2.377 1012 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 1012 S C 2.107 176.735 174.600 0.047 0.000 1.030 1012 S CA 1.148 59.370 58.200 0.036 0.000 0.970 1012 S CB -0.159 63.057 63.200 0.027 0.000 0.830 1012 S HN 0.255 nan 8.310 nan 0.000 0.473 1013 T N 1.975 116.567 114.554 0.063 0.000 2.788 1013 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 1013 T C 1.786 176.545 174.700 0.098 0.000 1.044 1013 T CA 1.048 63.200 62.100 0.087 0.000 1.139 1013 T CB -0.236 68.705 68.868 0.121 0.000 0.867 1013 T HN 0.329 nan 8.240 nan 0.000 0.454 1014 E N 1.017 121.272 120.200 0.093 0.000 2.150 1014 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 1014 E C 2.155 178.788 176.600 0.055 0.000 0.985 1014 E CA 0.709 57.157 56.400 0.080 0.000 0.814 1014 E CB -0.258 29.483 29.700 0.070 0.000 0.752 1014 E HN 0.341 nan 8.360 nan 0.000 0.466 1015 M N 0.653 120.282 119.600 0.047 0.000 2.117 1015 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 1015 M C 2.144 178.465 176.300 0.035 0.000 1.065 1015 M CA 1.180 56.502 55.300 0.036 0.000 1.114 1015 M CB -0.492 32.126 32.600 0.031 0.000 1.361 1015 M HN 0.127 nan 8.290 nan 0.000 0.408 1016 L N -0.107 121.140 121.223 0.040 0.000 2.056 1016 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 1016 L C 2.463 179.356 176.870 0.037 0.000 1.078 1016 L CA 0.852 55.714 54.840 0.036 0.000 0.749 1016 L CB -0.747 41.336 42.059 0.039 0.000 0.901 1016 L HN 0.294 nan 8.230 nan 0.000 0.433 1017 L N -0.379 120.873 121.223 0.048 0.000 2.191 1017 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 1017 L C 2.770 179.658 176.870 0.031 0.000 1.103 1017 L CA 0.989 55.853 54.840 0.041 0.000 0.769 1017 L CB -0.426 41.665 42.059 0.052 0.000 0.908 1017 L HN 0.261 nan 8.230 nan 0.000 0.438 1018 R N 0.570 121.090 120.500 0.033 0.000 2.148 1018 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 1018 R C 0.768 177.084 176.300 0.026 0.000 1.088 1018 R CA 0.311 56.429 56.100 0.030 0.000 0.985 1018 R CB -0.009 30.308 30.300 0.028 0.000 0.880 1018 R HN 0.227 nan 8.270 nan 0.000 0.451 1019 I N 2.168 122.752 120.570 0.024 0.000 2.517 1019 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 1019 I C -0.001 176.127 176.117 0.018 0.000 1.106 1019 I CA 0.477 61.790 61.300 0.021 0.000 1.402 1019 I CB 0.963 38.976 38.000 0.021 0.000 1.399 1019 I HN 0.100 nan 8.210 nan 0.000 0.535 1020 D N 4.169 124.579 120.400 0.017 0.000 2.535 1020 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 1020 D C -0.498 175.810 176.300 0.013 0.000 1.238 1020 D CA 0.244 54.251 54.000 0.011 0.000 0.824 1020 D CB 0.684 41.490 40.800 0.010 0.000 1.045 1020 D HN 0.466 nan 8.370 nan 0.000 0.500 1021 D N 0.473 120.884 120.400 0.018 0.000 2.931 1021 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 1021 D C -1.445 174.872 176.300 0.027 0.000 1.297 1021 D CA -0.421 53.592 54.000 0.023 0.000 0.892 1021 D CB 2.065 42.877 40.800 0.020 0.000 1.642 1021 D HN -0.322 nan 8.370 nan 0.000 0.560 1022 V N 5.010 124.946 119.914 0.036 0.000 2.443 1022 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 1022 V C 0.027 176.155 176.094 0.057 0.000 1.021 1022 V CA -0.568 61.758 62.300 0.042 0.000 0.848 1022 V CB 1.587 33.434 31.823 0.041 0.000 0.998 1022 V HN 0.519 nan 8.190 nan 0.000 0.424 1023 I N 4.539 125.139 120.570 0.049 0.000 2.437 1023 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 1023 I C 0.224 176.371 176.117 0.050 0.000 1.028 1023 I CA -0.403 60.929 61.300 0.052 0.000 1.142 1023 I CB 1.608 39.629 38.000 0.035 0.000 1.266 1023 I HN 0.660 nan 8.210 nan 0.000 0.461 1024 A N 5.143 128.005 122.820 0.070 0.000 2.287 1024 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 1024 A C 0.298 177.911 177.584 0.048 0.000 1.220 1024 A CA -0.436 51.633 52.037 0.053 0.000 0.835 1024 A CB 0.962 19.994 19.000 0.053 0.000 1.180 1024 A HN 0.744 nan 8.150 nan 0.000 0.500 1025 A N 1.983 124.817 122.820 0.023 0.000 2.429 1025 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 1025 A C 0.614 178.200 177.584 0.002 0.000 1.088 1025 A CA 0.175 52.219 52.037 0.012 0.000 0.784 1025 A CB -0.020 18.983 19.000 0.005 0.000 1.038 1025 A HN 0.946 nan 8.150 nan 0.000 0.501 1026 E N 0.000 120.198 120.200 -0.003 0.000 2.725 1026 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1026 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 1026 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 1026 E HN 0.000 nan 8.360 nan 0.000 0.440