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 3izj_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 AAIAALSAQD 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 0.000 176.090 176.094 -0.007 0.000 1.182 514 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 514 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 515 L N 2.645 123.862 121.223 -0.010 0.000 2.375 515 L HA 0.475 4.815 4.340 0.000 0.000 0.271 515 L C -2.074 174.790 176.870 -0.011 0.000 1.107 515 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 515 L CB 0.352 42.403 42.059 -0.015 0.000 1.146 515 L HN 0.137 nan 8.230 nan 0.000 0.447 516 P HA 0.027 nan 4.420 nan 0.000 0.265 516 P C -0.944 176.349 177.300 -0.012 0.000 1.187 516 P CA -0.197 62.899 63.100 -0.008 0.000 0.766 516 P CB 0.368 32.066 31.700 -0.005 0.000 0.820 517 E N 2.812 123.006 120.200 -0.011 0.000 2.417 517 E HA 0.075 4.426 4.350 0.000 0.000 0.261 517 E C 0.587 177.179 176.600 -0.013 0.000 1.000 517 E CA 0.591 56.983 56.400 -0.014 0.000 0.919 517 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 517 E HN 0.347 nan 8.360 nan 0.000 0.455 518 N N 0.593 119.282 118.700 -0.019 0.000 2.990 518 N HA -0.177 4.563 4.740 0.000 0.000 0.163 518 N C -0.215 175.283 175.510 -0.020 0.000 1.452 518 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 518 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 518 N HN 0.552 nan 8.380 nan 0.000 0.695 519 M N 3.008 122.596 119.600 -0.020 0.000 2.248 519 M HA 0.046 4.526 4.480 0.000 0.000 0.345 519 M C 0.326 176.597 176.300 -0.048 0.000 1.243 519 M CA 0.412 55.700 55.300 -0.021 0.000 1.090 519 M CB 0.458 33.050 32.600 -0.015 0.000 1.683 519 M HN 0.100 nan 8.290 nan 0.000 0.450 520 K N 5.158 125.524 120.400 -0.056 0.000 2.164 520 K HA 0.600 4.920 4.320 0.000 0.000 0.258 520 K C -1.124 175.371 176.600 -0.174 0.000 0.951 520 K CA -0.959 55.245 56.287 -0.140 0.000 0.844 520 K CB 2.028 34.449 32.500 -0.132 0.000 1.099 520 K HN 0.792 nan 8.250 nan 0.000 0.435 521 R N 2.649 122.959 120.500 -0.316 0.000 2.673 521 R HA 0.306 4.646 4.340 0.000 0.000 0.281 521 R C -1.656 174.363 176.300 -0.467 0.000 0.991 521 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 521 R CB 1.319 31.553 30.300 -0.111 0.000 1.201 521 R HN 0.735 nan 8.270 nan 0.000 0.457 522 Y N 4.269 124.554 120.300 -0.026 0.000 2.429 522 Y HA 0.547 5.097 4.550 0.000 0.000 0.342 522 Y C 0.376 176.258 175.900 -0.028 0.000 1.004 522 Y CA -0.876 57.204 58.100 -0.033 0.000 1.075 522 Y CB 2.128 40.559 38.460 -0.048 0.000 1.214 522 Y HN 0.389 nan 8.280 nan 0.000 0.455 523 M N 1.084 120.748 119.600 0.105 0.000 2.465 523 M HA 0.772 5.252 4.480 0.000 0.000 0.284 523 M C 0.043 176.362 176.300 0.031 0.000 1.212 523 M CA -0.297 55.032 55.300 0.048 0.000 0.910 523 M CB 1.274 33.883 32.600 0.015 0.000 1.725 523 M HN 0.835 nan 8.290 nan 0.000 0.477 524 G N 3.244 112.051 108.800 0.011 0.000 2.591 524 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 524 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 524 G C 0.563 175.457 174.900 -0.010 0.000 1.195 524 G CA 0.827 45.922 45.100 -0.009 0.000 0.989 524 G HN 0.944 nan 8.290 nan 0.000 0.551 525 R N 0.751 121.243 120.500 -0.013 0.000 2.237 525 R HA 0.050 4.390 4.340 0.000 0.000 0.219 525 R C 1.961 178.263 176.300 0.004 0.000 1.080 525 R CA 1.259 57.351 56.100 -0.014 0.000 0.995 525 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 525 R HN 0.500 nan 8.270 nan 0.000 0.462 526 D N 0.588 121.007 120.400 0.030 0.000 2.162 526 D HA -0.039 4.601 4.640 0.000 0.000 0.203 526 D C 1.800 178.154 176.300 0.090 0.000 0.967 526 D CA 1.206 55.253 54.000 0.078 0.000 0.840 526 D CB -0.118 40.751 40.800 0.115 0.000 0.972 526 D HN 0.182 nan 8.370 nan 0.000 0.482 527 A N 0.923 123.791 122.820 0.081 0.000 1.933 527 A HA -0.184 4.136 4.320 0.000 0.000 0.218 527 A C 2.076 179.630 177.584 -0.051 0.000 1.175 527 A CA 1.197 53.257 52.037 0.039 0.000 0.628 527 A CB -0.317 18.712 19.000 0.049 0.000 0.814 527 A HN 0.082 nan 8.150 nan 0.000 0.444 528 Q N -0.804 118.975 119.800 -0.035 0.000 2.123 528 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 528 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 528 Q CA 1.552 57.327 55.803 -0.047 0.000 0.845 528 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 528 Q HN 0.628 nan 8.270 nan 0.000 0.439 529 R N 1.033 121.502 120.500 -0.051 0.000 2.083 529 R HA -0.079 4.261 4.340 0.000 0.000 0.237 529 R C 2.096 178.328 176.300 -0.113 0.000 1.137 529 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 529 R CB -0.600 29.687 30.300 -0.023 0.000 0.851 529 R HN 0.181 nan 8.270 nan 0.000 0.434 530 M N 0.452 119.929 119.600 -0.206 0.000 2.132 530 M HA -0.119 4.361 4.480 0.000 0.000 0.263 530 M C 0.984 177.079 176.300 -0.340 0.000 1.065 530 M CA 1.793 56.851 55.300 -0.402 0.000 1.122 530 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 530 M HN 0.154 nan 8.290 nan 0.000 0.411 531 N N 0.993 119.550 118.700 -0.239 0.000 2.166 531 N HA -0.110 4.631 4.740 0.000 0.000 0.186 531 N C 1.739 177.202 175.510 -0.078 0.000 1.019 531 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 531 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 531 N HN 0.359 nan 8.380 nan 0.000 0.426 532 I N 1.025 121.557 120.570 -0.065 0.000 2.252 532 I HA -0.134 4.036 4.170 0.000 0.000 0.245 532 I C 2.191 178.296 176.117 -0.020 0.000 1.102 532 I CA 0.682 61.965 61.300 -0.027 0.000 1.385 532 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 532 I HN 0.101 nan 8.210 nan 0.000 0.414 533 L N 0.583 121.784 121.223 -0.038 0.000 2.083 533 L HA -0.180 4.160 4.340 0.000 0.000 0.209 533 L C 2.805 179.705 176.870 0.050 0.000 1.083 533 L CA 1.243 56.080 54.840 -0.005 0.000 0.752 533 L CB -0.633 41.414 42.059 -0.021 0.000 0.899 533 L HN 0.183 nan 8.230 nan 0.000 0.433 534 A N 0.316 123.165 122.820 0.049 0.000 1.858 534 A HA -0.139 4.181 4.320 0.000 0.000 0.216 534 A C 2.396 180.029 177.584 0.082 0.000 1.190 534 A CA 1.866 54.013 52.037 0.184 0.000 0.617 534 A CB -1.322 17.740 19.000 0.104 0.000 0.827 534 A HN 0.424 nan 8.150 nan 0.000 0.443 535 G N -0.910 107.911 108.800 0.035 0.000 2.408 535 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 535 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 535 G C 1.700 176.608 174.900 0.013 0.000 1.150 535 G CA 1.174 46.286 45.100 0.020 0.000 0.776 535 G HN 0.514 nan 8.290 nan 0.000 0.542 536 R N 0.515 121.023 120.500 0.013 0.000 2.081 536 R HA 0.094 4.434 4.340 0.000 0.000 0.235 536 R C 2.433 178.736 176.300 0.006 0.000 1.131 536 R CA 1.127 57.231 56.100 0.006 0.000 0.960 536 R CB -0.591 29.712 30.300 0.006 0.000 0.856 536 R HN 0.427 nan 8.270 nan 0.000 0.436 537 I N 0.070 120.649 120.570 0.016 0.000 2.202 537 I HA -0.249 3.921 4.170 0.000 0.000 0.242 537 I C 1.785 177.899 176.117 -0.005 0.000 1.091 537 I CA 0.765 62.069 61.300 0.008 0.000 1.368 537 I CB -0.266 37.744 38.000 0.016 0.000 1.058 537 I HN 0.144 nan 8.210 nan 0.000 0.410 538 I N 1.197 121.766 120.570 -0.002 0.000 2.163 538 I HA -0.303 3.867 4.170 0.000 0.000 0.243 538 I C 2.818 178.927 176.117 -0.013 0.000 1.085 538 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 538 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 538 I HN 0.204 nan 8.210 nan 0.000 0.408 539 A N 0.192 123.006 122.820 -0.010 0.000 1.930 539 A HA -0.214 4.106 4.320 0.000 0.000 0.217 539 A C 2.261 179.833 177.584 -0.019 0.000 1.175 539 A CA 1.682 53.709 52.037 -0.016 0.000 0.627 539 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 539 A HN 0.407 nan 8.150 nan 0.000 0.443 540 E N 0.328 120.519 120.200 -0.015 0.000 2.110 540 E HA -0.146 4.204 4.350 0.000 0.000 0.193 540 E C 2.040 178.629 176.600 -0.019 0.000 0.988 540 E CA 2.222 58.612 56.400 -0.016 0.000 0.804 540 E CB -0.439 29.254 29.700 -0.011 0.000 0.745 540 E HN 0.663 nan 8.360 nan 0.000 0.458 541 T N -2.650 111.893 114.554 -0.019 0.000 2.976 541 T HA 0.026 4.376 4.350 0.000 0.000 0.257 541 T C 1.957 176.644 174.700 -0.022 0.000 1.051 541 T CA 0.806 62.893 62.100 -0.021 0.000 1.141 541 T CB -0.408 68.447 68.868 -0.023 0.000 0.881 541 T HN 0.034 nan 8.240 nan 0.000 0.461 542 V N 2.852 122.753 119.914 -0.021 0.000 2.788 542 V HA 0.032 4.152 4.120 0.000 0.000 0.251 542 V C 2.885 178.964 176.094 -0.024 0.000 1.068 542 V CA 1.415 63.702 62.300 -0.022 0.000 1.090 542 V CB -0.583 31.228 31.823 -0.020 0.000 0.710 542 V HN 0.647 nan 8.190 nan 0.000 0.467 543 R N 0.986 121.470 120.500 -0.026 0.000 2.200 543 R HA -0.115 4.225 4.340 0.000 0.000 0.234 543 R C 1.912 178.193 176.300 -0.031 0.000 1.127 543 R CA 1.771 57.853 56.100 -0.030 0.000 0.989 543 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 543 R HN 0.628 nan 8.270 nan 0.000 0.459 544 S N 0.241 115.924 115.700 -0.029 0.000 2.595 544 S HA -0.084 4.386 4.470 0.000 0.000 0.235 544 S C 1.653 176.234 174.600 -0.031 0.000 0.974 544 S CA 0.874 59.055 58.200 -0.031 0.000 0.942 544 S CB -0.067 63.117 63.200 -0.028 0.000 0.766 544 S HN 0.610 nan 8.310 nan 0.000 0.536 545 T N -1.167 113.370 114.554 -0.029 0.000 3.037 545 T HA 0.311 4.661 4.350 0.000 0.000 0.251 545 T C 0.421 175.103 174.700 -0.030 0.000 1.079 545 T CA -0.476 61.608 62.100 -0.027 0.000 1.067 545 T CB -0.468 68.386 68.868 -0.022 0.000 0.948 545 T HN 0.276 nan 8.240 nan 0.000 0.496 546 L N 2.897 124.100 121.223 -0.034 0.000 2.462 546 L HA 0.515 4.856 4.340 0.000 0.000 0.272 546 L C 0.704 177.546 176.870 -0.046 0.000 1.166 546 L CA 1.618 56.436 54.840 -0.036 0.000 0.880 546 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 546 L HN 0.735 nan 8.230 nan 0.000 0.473 547 G N 4.037 112.812 108.800 -0.042 0.000 2.663 547 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 547 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 547 G C -2.098 172.762 174.900 -0.068 0.000 1.288 547 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 547 G HN 0.482 nan 8.290 nan 0.000 0.584 548 P HA -0.016 nan 4.420 nan 0.000 0.218 548 P C 1.408 178.614 177.300 -0.157 0.000 1.148 548 P CA 1.494 64.524 63.100 -0.118 0.000 0.822 548 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 549 K N -0.692 119.589 120.400 -0.198 0.000 2.446 549 K HA 0.257 4.577 4.320 0.000 0.000 0.203 549 K C 0.952 177.497 176.600 -0.090 0.000 1.027 549 K CA -0.189 56.007 56.287 -0.152 0.000 1.166 549 K CB -0.373 32.017 32.500 -0.183 0.000 0.869 549 K HN 0.035 nan 8.250 nan 0.000 0.504 550 G N 0.377 109.134 108.800 -0.072 0.000 2.569 550 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 550 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 550 G C -0.018 174.860 174.900 -0.038 0.000 1.216 550 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 550 G HN -0.029 nan 8.290 nan 0.000 0.568 551 M N -0.047 119.533 119.600 -0.033 0.000 2.705 551 M HA 0.408 4.888 4.480 0.000 0.000 0.272 551 M C -0.690 175.596 176.300 -0.024 0.000 1.172 551 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 551 M CB 1.403 33.986 32.600 -0.028 0.000 1.516 551 M HN 0.389 nan 8.290 nan 0.000 0.530 552 D N -0.220 120.166 120.400 -0.024 0.000 2.269 552 D HA 0.474 5.114 4.640 0.000 0.000 0.244 552 D C -0.977 175.307 176.300 -0.026 0.000 0.992 552 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 552 D CB 1.412 42.197 40.800 -0.025 0.000 1.248 552 D HN 0.098 nan 8.370 nan 0.000 0.468 553 K N 0.741 121.125 120.400 -0.025 0.000 2.123 553 K HA 0.611 4.931 4.320 0.000 0.000 0.248 553 K C -0.807 175.775 176.600 -0.030 0.000 0.969 553 K CA -0.519 55.753 56.287 -0.026 0.000 0.882 553 K CB 1.317 33.803 32.500 -0.023 0.000 1.080 553 K HN 0.364 nan 8.250 nan 0.000 0.441 554 M N 3.308 122.890 119.600 -0.031 0.000 2.022 554 M HA 0.327 4.808 4.480 0.000 0.000 0.298 554 M C -1.706 174.578 176.300 -0.028 0.000 0.909 554 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 554 M CB 0.568 33.143 32.600 -0.042 0.000 1.486 554 M HN 0.308 nan 8.290 nan 0.000 0.415 555 L N 5.056 126.265 121.223 -0.023 0.000 2.275 555 L HA 0.563 4.903 4.340 0.000 0.000 0.288 555 L C -0.680 176.182 176.870 -0.013 0.000 1.046 555 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 555 L CB 1.740 43.790 42.059 -0.014 0.000 1.193 555 L HN 0.360 nan 8.230 nan 0.000 0.426 556 V N 2.579 122.485 119.914 -0.012 0.000 2.409 556 V HA 0.349 4.469 4.120 0.000 0.000 0.291 556 V C -0.058 176.033 176.094 -0.005 0.000 1.020 556 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 556 V CB 1.565 33.382 31.823 -0.009 0.000 0.990 556 V HN 0.633 nan 8.190 nan 0.000 0.430 557 D N 2.505 122.904 120.400 -0.001 0.000 2.384 557 D HA 0.045 4.685 4.640 0.000 0.000 0.244 557 D C 1.021 177.320 176.300 -0.001 0.000 1.251 557 D CA -0.114 53.886 54.000 -0.001 0.000 0.961 557 D CB 1.274 42.076 40.800 0.002 0.000 1.116 557 D HN 0.704 nan 8.370 nan 0.000 0.484 558 D N -0.478 119.921 120.400 -0.001 0.000 2.263 558 D HA -0.116 4.524 4.640 0.000 0.000 0.208 558 D C 1.530 177.830 176.300 0.001 0.000 0.971 558 D CA 0.832 54.831 54.000 -0.001 0.000 0.867 558 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 558 D HN 0.118 nan 8.370 nan 0.000 0.492 559 L N -1.169 120.055 121.223 0.002 0.000 2.509 559 L HA 0.344 4.684 4.340 0.000 0.000 0.222 559 L C 2.047 178.920 176.870 0.005 0.000 1.123 559 L CA 0.997 55.839 54.840 0.003 0.000 0.856 559 L CB 0.135 42.197 42.059 0.004 0.000 0.985 559 L HN 0.268 nan 8.230 nan 0.000 0.456 560 G N -1.539 107.264 108.800 0.004 0.000 2.201 560 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 560 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 560 G C 0.281 175.187 174.900 0.009 0.000 0.994 560 G CA 0.069 45.172 45.100 0.006 0.000 0.644 560 G HN 0.317 nan 8.290 nan 0.000 0.508 561 D N 1.195 121.602 120.400 0.011 0.000 2.487 561 D HA 0.355 4.995 4.640 0.000 0.000 0.243 561 D C 0.460 176.770 176.300 0.017 0.000 1.154 561 D CA 0.390 54.401 54.000 0.018 0.000 0.876 561 D CB 1.056 41.867 40.800 0.017 0.000 1.161 561 D HN 0.257 nan 8.370 nan 0.000 0.478 562 V N 4.940 124.870 119.914 0.027 0.000 2.398 562 V HA 0.377 4.497 4.120 0.000 0.000 0.286 562 V C 0.115 176.225 176.094 0.026 0.000 1.026 562 V CA -0.827 61.482 62.300 0.014 0.000 0.868 562 V CB 1.684 33.508 31.823 0.002 0.000 0.982 562 V HN 0.401 nan 8.190 nan 0.000 0.443 563 V N 6.415 126.331 119.914 0.004 0.000 2.656 563 V HA 0.675 4.795 4.120 0.000 0.000 0.307 563 V C -0.774 175.305 176.094 -0.025 0.000 1.051 563 V CA -0.294 62.012 62.300 0.009 0.000 0.893 563 V CB 2.341 34.173 31.823 0.016 0.000 0.999 563 V HN 0.622 nan 8.190 nan 0.000 0.426 564 V N 5.812 125.703 119.914 -0.038 0.000 2.409 564 V HA 0.781 4.901 4.120 0.000 0.000 0.291 564 V C 0.014 176.095 176.094 -0.021 0.000 1.020 564 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 564 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 564 V HN 1.038 nan 8.190 nan 0.000 0.430 565 T N 2.546 117.089 114.554 -0.018 0.000 2.802 565 T HA 0.322 4.673 4.350 0.000 0.000 0.311 565 T C 0.080 174.773 174.700 -0.012 0.000 1.405 565 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 565 T CB 2.028 70.895 68.868 -0.002 0.000 1.352 565 T HN 0.661 nan 8.240 nan 0.000 0.498 566 N N 1.183 119.879 118.700 -0.008 0.000 2.210 566 N HA 0.074 4.814 4.740 0.000 0.000 0.203 566 N C -0.313 175.192 175.510 -0.008 0.000 1.175 566 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 566 N CB 0.475 38.958 38.487 -0.008 0.000 1.041 566 N HN 0.691 nan 8.380 nan 0.000 0.506 567 D N -0.059 120.338 120.400 -0.005 0.000 2.371 567 D HA 0.202 4.842 4.640 0.000 0.000 0.256 567 D C 1.484 177.780 176.300 -0.007 0.000 1.193 567 D CA 0.207 54.204 54.000 -0.004 0.000 0.881 567 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 567 D HN 0.263 nan 8.370 nan 0.000 0.473 568 G N 2.652 111.447 108.800 -0.008 0.000 2.440 568 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 568 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 568 G C 1.532 176.427 174.900 -0.008 0.000 1.154 568 G CA 0.756 45.850 45.100 -0.010 0.000 0.767 568 G HN 0.490 nan 8.290 nan 0.000 0.552 569 V N 0.841 120.751 119.914 -0.005 0.000 2.261 569 V HA -0.185 3.935 4.120 0.000 0.000 0.246 569 V C 3.185 179.277 176.094 -0.004 0.000 1.047 569 V CA 2.421 64.719 62.300 -0.004 0.000 1.015 569 V CB -0.912 30.909 31.823 -0.002 0.000 0.642 569 V HN 0.408 nan 8.190 nan 0.000 0.446 570 T N 0.311 114.863 114.554 -0.003 0.000 2.684 570 T HA -0.169 4.181 4.350 0.000 0.000 0.267 570 T C 1.805 176.502 174.700 -0.005 0.000 1.036 570 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 570 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 570 T HN 0.339 nan 8.240 nan 0.000 0.436 571 I N 0.321 120.886 120.570 -0.007 0.000 2.179 571 I HA -0.149 4.021 4.170 0.000 0.000 0.242 571 I C 2.101 178.211 176.117 -0.012 0.000 1.088 571 I CA 1.002 62.295 61.300 -0.011 0.000 1.357 571 I CB -0.282 37.710 38.000 -0.013 0.000 1.051 571 I HN 0.160 nan 8.210 nan 0.000 0.409 572 L N 0.112 121.329 121.223 -0.010 0.000 2.109 572 L HA -0.089 4.251 4.340 0.000 0.000 0.207 572 L C 2.502 179.366 176.870 -0.008 0.000 1.086 572 L CA 1.505 56.339 54.840 -0.011 0.000 0.760 572 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 572 L HN 0.147 nan 8.230 nan 0.000 0.437 573 R N -0.142 120.355 120.500 -0.006 0.000 2.075 573 R HA -0.108 4.232 4.340 0.000 0.000 0.232 573 R C 1.892 178.189 176.300 -0.005 0.000 1.126 573 R CA 1.238 57.335 56.100 -0.004 0.000 0.963 573 R CB 0.092 30.391 30.300 -0.002 0.000 0.858 573 R HN 0.337 nan 8.270 nan 0.000 0.435 574 E N 0.886 121.082 120.200 -0.006 0.000 2.086 574 E HA -0.052 4.298 4.350 0.000 0.000 0.190 574 E C 1.282 177.877 176.600 -0.009 0.000 0.975 574 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 574 E CB -0.359 29.339 29.700 -0.004 0.000 0.768 574 E HN 0.448 nan 8.360 nan 0.000 0.457 575 M N -0.020 119.572 119.600 -0.013 0.000 2.240 575 M HA 0.102 4.582 4.480 0.000 0.000 0.317 575 M C 0.498 176.786 176.300 -0.020 0.000 1.087 575 M CA 0.330 55.619 55.300 -0.018 0.000 1.176 575 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 575 M HN -0.260 nan 8.290 nan 0.000 0.452 576 S N 2.319 118.004 115.700 -0.025 0.000 2.473 576 S HA 0.430 4.900 4.470 0.000 0.000 0.312 576 S C -0.652 173.924 174.600 -0.041 0.000 1.087 576 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 576 S CB -0.236 62.951 63.200 -0.022 0.000 1.065 576 S HN 0.521 nan 8.310 nan 0.000 0.510 577 V N 5.071 124.964 119.914 -0.036 0.000 2.546 577 V HA 0.332 4.452 4.120 0.000 0.000 0.284 577 V C 1.118 177.188 176.094 -0.041 0.000 1.050 577 V CA -0.229 62.041 62.300 -0.051 0.000 0.981 577 V CB 1.513 33.317 31.823 -0.031 0.000 0.990 577 V HN 0.913 nan 8.190 nan 0.000 0.474 578 E N 2.478 122.633 120.200 -0.076 0.000 2.256 578 E HA 0.075 4.426 4.350 0.000 0.000 0.198 578 E C 0.579 177.227 176.600 0.080 0.000 0.908 578 E CA 0.436 56.824 56.400 -0.019 0.000 0.915 578 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 578 E HN 0.821 nan 8.360 nan 0.000 0.484 579 H N 1.018 120.074 119.070 -0.023 0.000 2.848 579 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 579 H C -1.752 173.554 175.328 -0.035 0.000 1.046 579 H CA -1.631 54.389 56.048 -0.046 0.000 1.470 579 H CB 1.368 31.089 29.762 -0.069 0.000 1.483 579 H HN 0.155 nan 8.280 nan 0.000 0.548 580 P HA -0.200 nan 4.420 nan 0.000 0.215 580 P C 1.266 178.581 177.300 0.024 0.000 1.153 580 P CA 1.503 64.625 63.100 0.036 0.000 0.853 580 P CB 0.215 31.925 31.700 0.018 0.000 0.788 581 A N -0.022 122.802 122.820 0.007 0.000 1.930 581 A HA -0.074 4.246 4.320 0.000 0.000 0.217 581 A C 2.316 179.914 177.584 0.024 0.000 1.175 581 A CA 1.934 53.971 52.037 0.001 0.000 0.627 581 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 581 A HN 0.188 nan 8.150 nan 0.000 0.443 582 A N 0.073 122.924 122.820 0.052 0.000 1.933 582 A HA -0.163 4.157 4.320 0.000 0.000 0.218 582 A C 2.052 179.650 177.584 0.023 0.000 1.175 582 A CA 1.753 53.815 52.037 0.041 0.000 0.628 582 A CB -0.424 18.605 19.000 0.047 0.000 0.814 582 A HN 0.553 nan 8.150 nan 0.000 0.444 583 K N -0.954 119.462 120.400 0.026 0.000 2.209 583 K HA -0.056 4.264 4.320 0.000 0.000 0.204 583 K C 1.820 178.429 176.600 0.015 0.000 1.048 583 K CA 1.209 57.507 56.287 0.017 0.000 0.940 583 K CB -0.189 32.323 32.500 0.020 0.000 0.729 583 K HN 0.387 nan 8.250 nan 0.000 0.451 584 M N 0.378 119.987 119.600 0.016 0.000 2.236 584 M HA -0.041 4.439 4.480 0.000 0.000 0.266 584 M C 2.177 178.486 176.300 0.014 0.000 1.070 584 M CA 1.137 56.446 55.300 0.015 0.000 1.137 584 M CB -0.663 31.946 32.600 0.015 0.000 1.378 584 M HN 0.176 nan 8.290 nan 0.000 0.426 585 L N 0.328 121.559 121.223 0.014 0.000 2.131 585 L HA -0.197 4.143 4.340 0.000 0.000 0.210 585 L C 2.249 179.124 176.870 0.008 0.000 1.092 585 L CA 0.888 55.735 54.840 0.012 0.000 0.759 585 L CB -0.219 41.846 42.059 0.011 0.000 0.903 585 L HN 0.187 nan 8.230 nan 0.000 0.435 586 I N -0.241 120.333 120.570 0.007 0.000 2.248 586 I HA -0.350 3.820 4.170 0.000 0.000 0.248 586 I C 2.376 178.496 176.117 0.005 0.000 1.107 586 I CA 1.329 62.632 61.300 0.004 0.000 1.373 586 I CB -0.212 37.790 38.000 0.003 0.000 1.055 586 I HN 0.305 nan 8.210 nan 0.000 0.418 587 E N 0.599 120.803 120.200 0.007 0.000 2.153 587 E HA -0.153 4.197 4.350 0.000 0.000 0.194 587 E C 2.135 178.740 176.600 0.008 0.000 0.988 587 E CA 0.963 57.368 56.400 0.008 0.000 0.811 587 E CB 0.003 29.709 29.700 0.010 0.000 0.746 587 E HN 0.265 nan 8.360 nan 0.000 0.466 588 V N 0.558 120.478 119.914 0.009 0.000 2.295 588 V HA -0.287 3.833 4.120 0.000 0.000 0.246 588 V C 2.304 178.401 176.094 0.004 0.000 1.049 588 V CA 1.891 64.197 62.300 0.009 0.000 1.024 588 V CB -0.895 30.934 31.823 0.010 0.000 0.648 588 V HN 0.444 nan 8.190 nan 0.000 0.447 589 A N -0.492 122.330 122.820 0.002 0.000 1.972 589 A HA -0.220 4.100 4.320 0.000 0.000 0.219 589 A C 2.280 179.864 177.584 0.000 0.000 1.169 589 A CA 1.845 53.882 52.037 -0.001 0.000 0.635 589 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 589 A HN 0.557 nan 8.150 nan 0.000 0.446 590 K N -0.534 119.867 120.400 0.002 0.000 2.097 590 K HA -0.101 4.219 4.320 0.000 0.000 0.205 590 K C 2.188 178.790 176.600 0.002 0.000 1.050 590 K CA 1.727 58.015 56.287 0.002 0.000 0.938 590 K CB -0.304 32.197 32.500 0.003 0.000 0.718 590 K HN 0.729 nan 8.250 nan 0.000 0.442 591 T N -1.302 113.254 114.554 0.004 0.000 2.951 591 T HA -0.138 4.212 4.350 0.000 0.000 0.268 591 T C 1.985 176.687 174.700 0.003 0.000 1.073 591 T CA 0.817 62.919 62.100 0.004 0.000 1.134 591 T CB -0.001 68.871 68.868 0.006 0.000 0.884 591 T HN 0.034 nan 8.240 nan 0.000 0.479 592 Q N 1.208 121.010 119.800 0.002 0.000 2.079 592 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 592 Q C 2.439 178.439 176.000 0.001 0.000 0.974 592 Q CA 1.450 57.254 55.803 0.001 0.000 0.840 592 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 592 Q HN 0.523 nan 8.270 nan 0.000 0.430 593 E N -0.084 120.116 120.200 0.000 0.000 2.085 593 E HA -0.205 4.145 4.350 0.000 0.000 0.194 593 E C 1.613 178.212 176.600 -0.000 0.000 0.994 593 E CA 1.149 57.549 56.400 -0.000 0.000 0.801 593 E CB 0.158 29.857 29.700 -0.001 0.000 0.743 593 E HN 0.233 nan 8.360 nan 0.000 0.453 594 K N 0.378 120.779 120.400 0.000 0.000 2.031 594 K HA -0.133 4.187 4.320 0.000 0.000 0.205 594 K C 2.129 178.729 176.600 0.000 0.000 1.049 594 K CA 1.071 57.358 56.287 -0.000 0.000 0.939 594 K CB -0.280 32.220 32.500 0.000 0.000 0.717 594 K HN 0.051 nan 8.250 nan 0.000 0.438 595 E N 0.839 121.039 120.200 0.001 0.000 2.076 595 E HA -0.107 4.243 4.350 0.000 0.000 0.190 595 E C 1.719 178.320 176.600 0.001 0.000 0.979 595 E CA 1.299 57.700 56.400 0.001 0.000 0.807 595 E CB 0.285 29.987 29.700 0.002 0.000 0.761 595 E HN 0.088 nan 8.360 nan 0.000 0.454 596 V N -4.932 114.983 119.914 0.001 0.000 3.473 596 V HA 0.584 4.704 4.120 0.000 0.000 0.253 596 V C 1.484 177.579 176.094 0.001 0.000 1.340 596 V CA 0.850 63.151 62.300 0.001 0.000 1.103 596 V CB 0.451 32.275 31.823 0.002 0.000 0.881 596 V HN 0.340 nan 8.190 nan 0.000 0.451 597 G N 0.686 109.486 108.800 0.000 0.000 3.586 597 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 597 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 597 G C 0.166 175.066 174.900 0.001 0.000 1.411 597 G CA 0.468 45.568 45.100 0.000 0.000 0.898 597 G HN 0.654 nan 8.290 nan 0.000 0.575 598 D N 1.167 121.568 120.400 0.002 0.000 2.478 598 D HA 0.480 5.120 4.640 0.000 0.000 0.269 598 D C 1.537 177.837 176.300 0.000 0.000 1.232 598 D CA 1.219 55.220 54.000 0.002 0.000 1.059 598 D CB 0.616 41.419 40.800 0.005 0.000 1.104 598 D HN 1.611 nan 8.370 nan 0.000 0.566 599 G N -0.343 108.456 108.800 -0.001 0.000 2.153 599 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 599 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 599 G C 1.037 175.933 174.900 -0.008 0.000 0.994 599 G CA 1.516 46.612 45.100 -0.005 0.000 0.698 599 G HN 0.584 nan 8.290 nan 0.000 0.521 600 T N -2.946 111.604 114.554 -0.006 0.000 2.746 600 T HA -0.113 4.237 4.350 0.000 0.000 0.267 600 T C 2.215 176.909 174.700 -0.010 0.000 1.039 600 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 600 T CB -0.564 68.300 68.868 -0.005 0.000 0.866 600 T HN 0.308 nan 8.240 nan 0.000 0.444 601 T N 2.007 116.554 114.554 -0.013 0.000 2.737 601 T HA -0.086 4.264 4.350 0.000 0.000 0.265 601 T C 2.280 176.967 174.700 -0.022 0.000 1.038 601 T CA 1.816 63.906 62.100 -0.017 0.000 1.144 601 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 601 T HN 0.518 nan 8.240 nan 0.000 0.434 602 T N 2.233 116.773 114.554 -0.022 0.000 2.665 602 T HA -0.135 4.215 4.350 0.000 0.000 0.268 602 T C 2.371 177.052 174.700 -0.032 0.000 1.035 602 T CA 1.334 63.417 62.100 -0.029 0.000 1.151 602 T CB -0.630 68.223 68.868 -0.025 0.000 0.862 602 T HN 0.447 nan 8.240 nan 0.000 0.438 603 A N 0.759 123.565 122.820 -0.023 0.000 1.940 603 A HA -0.057 4.263 4.320 0.000 0.000 0.219 603 A C 2.592 180.162 177.584 -0.023 0.000 1.176 603 A CA 1.453 53.478 52.037 -0.021 0.000 0.631 603 A CB -0.909 18.084 19.000 -0.011 0.000 0.814 603 A HN 0.386 nan 8.150 nan 0.000 0.446 604 V N -0.653 119.248 119.914 -0.020 0.000 2.379 604 V HA -0.178 3.942 4.120 0.000 0.000 0.245 604 V C 2.552 178.629 176.094 -0.028 0.000 1.044 604 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 604 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 604 V HN 0.363 nan 8.190 nan 0.000 0.453 605 V N -0.449 119.444 119.914 -0.034 0.000 2.295 605 V HA -0.218 3.902 4.120 0.000 0.000 0.246 605 V C 2.465 178.523 176.094 -0.059 0.000 1.049 605 V CA 2.129 64.403 62.300 -0.043 0.000 1.024 605 V CB -0.377 31.420 31.823 -0.044 0.000 0.648 605 V HN 0.425 nan 8.190 nan 0.000 0.447 606 V N -0.019 119.851 119.914 -0.072 0.000 2.515 606 V HA -0.183 3.937 4.120 0.000 0.000 0.250 606 V C 2.525 178.548 176.094 -0.118 0.000 1.058 606 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 606 V CB -0.277 31.472 31.823 -0.124 0.000 0.675 606 V HN 0.522 nan 8.190 nan 0.000 0.461 607 A N -0.139 122.639 122.820 -0.071 0.000 1.898 607 A HA 0.004 4.324 4.320 0.000 0.000 0.216 607 A C 2.342 179.910 177.584 -0.027 0.000 1.181 607 A CA 1.701 53.714 52.037 -0.041 0.000 0.620 607 A CB -1.231 17.762 19.000 -0.012 0.000 0.819 607 A HN 0.599 nan 8.150 nan 0.000 0.442 608 G N -0.492 108.290 108.800 -0.029 0.000 2.408 608 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 608 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 608 G C 1.461 176.347 174.900 -0.024 0.000 1.150 608 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 608 G HN 0.583 nan 8.290 nan 0.000 0.542 609 E N 0.252 120.421 120.200 -0.051 0.000 2.107 609 E HA 0.040 4.390 4.350 0.000 0.000 0.191 609 E C 2.454 179.014 176.600 -0.067 0.000 0.982 609 E CA 0.435 56.797 56.400 -0.063 0.000 0.809 609 E CB -0.351 29.293 29.700 -0.093 0.000 0.756 609 E HN 0.416 nan 8.360 nan 0.000 0.459 610 L N 0.032 121.195 121.223 -0.100 0.000 2.083 610 L HA -0.160 4.180 4.340 0.000 0.000 0.209 610 L C 2.373 179.305 176.870 0.104 0.000 1.083 610 L CA 0.948 55.731 54.840 -0.096 0.000 0.752 610 L CB -0.336 41.617 42.059 -0.176 0.000 0.899 610 L HN 0.249 nan 8.230 nan 0.000 0.433 611 L N -0.863 120.406 121.223 0.077 0.000 2.156 611 L HA -0.166 4.174 4.340 0.000 0.000 0.208 611 L C 2.732 179.638 176.870 0.061 0.000 1.095 611 L CA 0.612 55.505 54.840 0.088 0.000 0.770 611 L CB -0.387 41.702 42.059 0.049 0.000 0.914 611 L HN 0.202 nan 8.230 nan 0.000 0.439 612 R N 0.902 121.422 120.500 0.034 0.000 2.081 612 R HA -0.169 4.171 4.340 0.000 0.000 0.235 612 R C 2.116 178.440 176.300 0.040 0.000 1.131 612 R CA 1.593 57.707 56.100 0.023 0.000 0.960 612 R CB -0.098 30.203 30.300 0.003 0.000 0.856 612 R HN 0.008 nan 8.270 nan 0.000 0.436 613 K N -0.235 120.200 120.400 0.059 0.000 2.155 613 K HA 0.144 4.464 4.320 0.000 0.000 0.203 613 K C 1.817 178.501 176.600 0.141 0.000 1.052 613 K CA 1.305 57.646 56.287 0.090 0.000 0.948 613 K CB -0.283 32.270 32.500 0.088 0.000 0.728 613 K HN 0.292 nan 8.250 nan 0.000 0.448 614 A N 0.750 123.683 122.820 0.187 0.000 1.902 614 A HA -0.218 4.102 4.320 0.000 0.000 0.217 614 A C 2.122 179.732 177.584 0.042 0.000 1.181 614 A CA 1.808 53.928 52.037 0.137 0.000 0.623 614 A CB -0.480 18.609 19.000 0.148 0.000 0.818 614 A HN 0.442 nan 8.150 nan 0.000 0.443 615 E N -0.321 119.902 120.200 0.039 0.000 2.110 615 E HA -0.215 4.135 4.350 0.000 0.000 0.193 615 E C 1.723 178.330 176.600 0.012 0.000 0.988 615 E CA 1.240 57.648 56.400 0.013 0.000 0.804 615 E CB -0.056 29.650 29.700 0.010 0.000 0.745 615 E HN 0.563 nan 8.360 nan 0.000 0.458 616 E N 0.224 120.440 120.200 0.026 0.000 2.106 616 E HA -0.160 4.190 4.350 0.000 0.000 0.192 616 E C 2.088 178.702 176.600 0.022 0.000 0.984 616 E CA 0.556 56.970 56.400 0.024 0.000 0.806 616 E CB -0.073 29.646 29.700 0.031 0.000 0.750 616 E HN 0.274 nan 8.360 nan 0.000 0.458 617 L N 0.437 121.678 121.223 0.029 0.000 2.156 617 L HA -0.086 4.254 4.340 0.000 0.000 0.208 617 L C 2.383 179.249 176.870 -0.006 0.000 1.095 617 L CA 1.049 55.901 54.840 0.020 0.000 0.770 617 L CB -0.672 41.404 42.059 0.028 0.000 0.914 617 L HN 0.084 nan 8.230 nan 0.000 0.439 618 L N -0.963 120.249 121.223 -0.019 0.000 2.093 618 L HA -0.187 4.153 4.340 0.000 0.000 0.208 618 L C 1.981 178.837 176.870 -0.024 0.000 1.085 618 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 618 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 618 L HN 0.232 nan 8.230 nan 0.000 0.435 619 D N -0.567 119.826 120.400 -0.011 0.000 2.224 619 D HA -0.133 4.507 4.640 0.000 0.000 0.205 619 D C 2.017 178.316 176.300 -0.002 0.000 0.965 619 D CA 0.804 54.801 54.000 -0.006 0.000 0.852 619 D CB -0.030 40.770 40.800 -0.000 0.000 0.947 619 D HN 0.262 nan 8.370 nan 0.000 0.494 620 Q N 0.467 120.269 119.800 0.002 0.000 2.415 620 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 620 Q C 0.048 176.051 176.000 0.005 0.000 0.946 620 Q CA 0.011 55.818 55.803 0.007 0.000 0.951 620 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 620 Q HN 0.176 nan 8.270 nan 0.000 0.510 621 N N -0.340 118.358 118.700 -0.002 0.000 2.754 621 N HA -0.155 4.585 4.740 0.000 0.000 0.248 621 N C -1.365 174.149 175.510 0.008 0.000 1.093 621 N CA 0.301 53.350 53.050 -0.002 0.000 0.699 621 N CB -1.298 37.192 38.487 0.005 0.000 1.016 621 N HN -0.029 nan 8.380 nan 0.000 0.552 622 V N 2.113 122.028 119.914 0.001 0.000 2.385 622 V HA 0.129 4.249 4.120 0.000 0.000 0.269 622 V C 1.002 177.098 176.094 0.004 0.000 1.043 622 V CA -0.798 61.510 62.300 0.014 0.000 0.906 622 V CB 1.030 32.856 31.823 0.005 0.000 0.995 622 V HN 0.347 nan 8.190 nan 0.000 0.467 623 H N 8.246 127.299 119.070 -0.028 0.000 3.094 623 H HA 0.016 4.573 4.556 0.000 0.000 0.320 623 H C -1.667 173.633 175.328 -0.046 0.000 1.000 623 H CA -1.054 54.976 56.048 -0.030 0.000 1.413 623 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 623 H HN 0.385 nan 8.280 nan 0.000 0.586 624 P HA -0.187 nan 4.420 nan 0.000 0.217 624 P C 1.428 178.749 177.300 0.035 0.000 1.148 624 P CA 2.563 65.595 63.100 -0.113 0.000 0.834 624 P CB 0.026 31.619 31.700 -0.178 0.000 0.783 625 T N -4.236 110.480 114.554 0.270 0.000 2.995 625 T HA -0.034 4.316 4.350 0.000 0.000 0.269 625 T C 1.702 176.436 174.700 0.056 0.000 1.091 625 T CA 0.653 62.841 62.100 0.146 0.000 1.128 625 T CB -0.753 68.188 68.868 0.122 0.000 0.891 625 T HN -0.082 nan 8.240 nan 0.000 0.492 626 I N 1.194 121.807 120.570 0.072 0.000 2.333 626 I HA 0.010 4.180 4.170 0.000 0.000 0.246 626 I C 2.657 178.747 176.117 -0.044 0.000 1.106 626 I CA 0.501 61.810 61.300 0.014 0.000 1.411 626 I CB -1.104 36.916 38.000 0.033 0.000 1.082 626 I HN 0.175 nan 8.210 nan 0.000 0.420 627 V N 1.546 121.399 119.914 -0.102 0.000 2.295 627 V HA -0.219 3.901 4.120 0.000 0.000 0.246 627 V C 2.732 178.570 176.094 -0.426 0.000 1.049 627 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 627 V CB -0.800 30.827 31.823 -0.326 0.000 0.648 627 V HN 0.414 nan 8.190 nan 0.000 0.447 628 V N -0.888 118.890 119.914 -0.226 0.000 2.667 628 V HA -0.106 4.014 4.120 0.000 0.000 0.252 628 V C 2.361 178.437 176.094 -0.030 0.000 1.065 628 V CA 2.116 64.342 62.300 -0.123 0.000 1.083 628 V CB -0.685 31.106 31.823 -0.053 0.000 0.692 628 V HN 0.493 nan 8.190 nan 0.000 0.468 629 K N 2.234 122.618 120.400 -0.027 0.000 2.025 629 K HA 0.097 4.417 4.320 0.000 0.000 0.207 629 K C 2.136 178.754 176.600 0.029 0.000 1.049 629 K CA 2.082 58.371 56.287 0.004 0.000 0.933 629 K CB -1.326 31.174 32.500 -0.001 0.000 0.714 629 K HN 0.435 nan 8.250 nan 0.000 0.438 630 G N -0.751 108.074 108.800 0.042 0.000 2.422 630 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 630 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 630 G C 1.170 176.173 174.900 0.172 0.000 1.146 630 G CA 0.827 45.997 45.100 0.117 0.000 0.769 630 G HN 0.290 nan 8.290 nan 0.000 0.547 631 Y N 0.312 120.562 120.300 -0.083 0.000 2.314 631 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 631 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 631 Y CA 0.897 58.875 58.100 -0.203 0.000 1.201 631 Y CB -0.784 37.718 38.460 0.070 0.000 0.999 631 Y HN 0.261 nan 8.280 nan 0.000 0.541 632 Q N 0.383 120.204 119.800 0.035 0.000 2.079 632 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 632 Q C 2.356 178.310 176.000 -0.077 0.000 0.974 632 Q CA 1.753 57.547 55.803 -0.015 0.000 0.840 632 Q CB -0.473 28.275 28.738 0.015 0.000 0.898 632 Q HN 0.324 nan 8.270 nan 0.000 0.430 633 A N 0.252 123.047 122.820 -0.041 0.000 1.873 633 A HA -0.003 4.318 4.320 0.000 0.000 0.215 633 A C 2.271 179.788 177.584 -0.112 0.000 1.186 633 A CA 1.868 53.911 52.037 0.010 0.000 0.616 633 A CB -1.143 17.942 19.000 0.141 0.000 0.823 633 A HN 0.499 nan 8.150 nan 0.000 0.442 634 A N -0.341 122.317 122.820 -0.270 0.000 1.930 634 A HA 0.249 4.569 4.320 0.000 0.000 0.217 634 A C 2.443 179.622 177.584 -0.676 0.000 1.175 634 A CA 1.819 53.541 52.037 -0.526 0.000 0.627 634 A CB -0.842 17.680 19.000 -0.796 0.000 0.815 634 A HN 0.990 nan 8.150 nan 0.000 0.443 635 A N -1.150 121.225 122.820 -0.742 0.000 1.930 635 A HA -0.124 4.197 4.320 0.000 0.000 0.217 635 A C 2.093 179.581 177.584 -0.160 0.000 1.175 635 A CA 1.446 53.297 52.037 -0.309 0.000 0.627 635 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 635 A HN 0.461 nan 8.150 nan 0.000 0.443 636 Q N -0.294 119.401 119.800 -0.175 0.000 2.124 636 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 636 Q C 2.004 177.902 176.000 -0.170 0.000 0.977 636 Q CA 1.819 57.546 55.803 -0.126 0.000 0.850 636 Q CB -0.302 28.381 28.738 -0.091 0.000 0.901 636 Q HN 0.619 nan 8.270 nan 0.000 0.429 637 K N 0.886 121.107 120.400 -0.299 0.000 2.103 637 K HA 0.028 4.348 4.320 0.000 0.000 0.204 637 K C 1.844 178.317 176.600 -0.211 0.000 1.052 637 K CA 1.175 57.237 56.287 -0.376 0.000 0.945 637 K CB -0.414 31.592 32.500 -0.823 0.000 0.722 637 K HN 0.111 nan 8.250 nan 0.000 0.443 638 A N 0.355 123.085 122.820 -0.150 0.000 1.933 638 A HA -0.207 4.113 4.320 0.000 0.000 0.218 638 A C 2.150 179.719 177.584 -0.025 0.000 1.175 638 A CA 1.846 53.863 52.037 -0.033 0.000 0.628 638 A CB -0.653 18.399 19.000 0.086 0.000 0.814 638 A HN 0.456 nan 8.150 nan 0.000 0.444 639 Q N 0.095 119.871 119.800 -0.040 0.000 2.084 639 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 639 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 639 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 639 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 639 Q HN 0.763 nan 8.270 nan 0.000 0.426 640 E N -0.591 119.578 120.200 -0.053 0.000 2.077 640 E HA -0.170 4.180 4.350 0.000 0.000 0.193 640 E C 1.902 178.482 176.600 -0.034 0.000 0.989 640 E CA 1.114 57.486 56.400 -0.045 0.000 0.800 640 E CB -0.151 29.511 29.700 -0.064 0.000 0.746 640 E HN 0.452 nan 8.360 nan 0.000 0.452 641 L N 0.583 121.782 121.223 -0.041 0.000 2.083 641 L HA -0.188 4.152 4.340 0.000 0.000 0.209 641 L C 2.547 179.415 176.870 -0.003 0.000 1.083 641 L CA 0.707 55.536 54.840 -0.020 0.000 0.752 641 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 641 L HN 0.258 nan 8.230 nan 0.000 0.433 642 L N -0.391 120.829 121.223 -0.005 0.000 2.056 642 L HA -0.202 4.138 4.340 0.000 0.000 0.207 642 L C 2.527 179.398 176.870 0.002 0.000 1.078 642 L CA 1.357 56.198 54.840 0.003 0.000 0.749 642 L CB -0.388 41.672 42.059 0.002 0.000 0.901 642 L HN 0.198 nan 8.230 nan 0.000 0.433 643 K N -0.885 119.513 120.400 -0.003 0.000 2.362 643 K HA -0.073 4.247 4.320 0.000 0.000 0.200 643 K C 1.855 178.455 176.600 -0.001 0.000 1.046 643 K CA 1.250 57.536 56.287 -0.002 0.000 0.952 643 K CB -0.059 32.438 32.500 -0.006 0.000 0.753 643 K HN 0.283 nan 8.250 nan 0.000 0.466 644 T N 1.273 115.827 114.554 -0.000 0.000 3.035 644 T HA 0.046 4.396 4.350 0.000 0.000 0.259 644 T C 1.735 176.440 174.700 0.007 0.000 1.078 644 T CA 0.568 62.670 62.100 0.002 0.000 1.132 644 T CB 0.070 68.939 68.868 0.001 0.000 0.900 644 T HN 0.347 nan 8.240 nan 0.000 0.480 645 I N -0.862 119.715 120.570 0.012 0.000 3.968 645 I HA 0.536 4.706 4.170 0.000 0.000 0.328 645 I C 0.941 177.067 176.117 0.015 0.000 1.290 645 I CA -0.673 60.638 61.300 0.018 0.000 1.163 645 I CB -0.253 37.766 38.000 0.033 0.000 1.024 645 I HN -0.095 nan 8.210 nan 0.000 0.413 646 A N 1.596 124.422 122.820 0.011 0.000 2.546 646 A HA 0.129 4.449 4.320 0.000 0.000 0.243 646 A C 0.082 177.671 177.584 0.007 0.000 1.063 646 A CA 0.031 52.073 52.037 0.009 0.000 0.757 646 A CB -0.243 18.761 19.000 0.006 0.000 0.991 646 A HN 0.640 nan 8.150 nan 0.000 0.503 647 C N 3.665 122.970 119.300 0.008 0.000 2.255 647 C HA 0.539 4.999 4.460 0.000 0.000 0.326 647 C C 0.356 175.349 174.990 0.005 0.000 1.258 647 C CA -0.641 58.381 59.018 0.006 0.000 1.676 647 C CB -0.351 27.394 27.740 0.008 0.000 2.314 647 C HN 0.941 nan 8.230 nan 0.000 0.509 648 E N 3.679 123.882 120.200 0.004 0.000 2.351 648 E HA 0.405 4.755 4.350 0.000 0.000 0.266 648 E C -0.092 176.509 176.600 0.003 0.000 1.031 648 E CA 0.230 56.631 56.400 0.003 0.000 0.911 648 E CB 0.644 30.345 29.700 0.002 0.000 0.986 648 E HN 0.712 nan 8.360 nan 0.000 0.446 649 V N 1.473 121.388 119.914 0.003 0.000 3.102 649 V HA 0.840 4.960 4.120 0.000 0.000 0.312 649 V C 0.514 176.610 176.094 0.003 0.000 1.135 649 V CA -0.793 61.508 62.300 0.003 0.000 1.022 649 V CB 1.645 33.470 31.823 0.003 0.000 1.056 649 V HN 0.672 nan 8.190 nan 0.000 0.436 650 G N 0.417 109.218 108.800 0.002 0.000 2.343 650 G HA2 0.464 4.424 3.960 0.000 0.000 0.254 650 G HA3 0.464 4.424 3.960 0.000 0.000 0.254 650 G C 0.994 175.896 174.900 0.003 0.000 1.277 650 G CA 0.192 45.293 45.100 0.003 0.000 0.909 650 G HN 1.670 nan 8.290 nan 0.000 0.502 651 A N 2.139 124.961 122.820 0.003 0.000 1.940 651 A HA -0.123 4.197 4.320 0.000 0.000 0.219 651 A C 1.929 179.516 177.584 0.004 0.000 1.176 651 A CA 1.856 53.895 52.037 0.004 0.000 0.631 651 A CB -0.069 18.934 19.000 0.004 0.000 0.814 651 A HN 0.641 nan 8.150 nan 0.000 0.446 652 Q N -0.484 119.319 119.800 0.004 0.000 2.155 652 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 652 Q C -0.829 175.173 176.000 0.003 0.000 0.819 652 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 652 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 652 Q HN 0.579 nan 8.270 nan 0.000 0.487 653 D N 1.012 121.414 120.400 0.003 0.000 2.412 653 D HA -0.073 4.567 4.640 0.000 0.000 0.257 653 D C 1.262 177.563 176.300 0.001 0.000 1.217 653 D CA 0.222 54.223 54.000 0.002 0.000 0.897 653 D CB 0.907 41.708 40.800 0.002 0.000 1.132 653 D HN -0.030 nan 8.370 nan 0.000 0.493 654 K N 3.486 123.887 120.400 0.001 0.000 2.032 654 K HA -0.266 4.055 4.320 0.000 0.000 0.218 654 K C 1.237 177.837 176.600 -0.001 0.000 1.054 654 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 654 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 654 K HN 0.584 nan 8.250 nan 0.000 0.449 655 E N 0.570 120.769 120.200 -0.002 0.000 2.023 655 E HA -0.203 4.147 4.350 0.000 0.000 0.196 655 E C 2.135 178.733 176.600 -0.003 0.000 1.003 655 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 655 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 655 E HN 0.324 nan 8.360 nan 0.000 0.449 656 I N 0.727 121.297 120.570 -0.001 0.000 2.493 656 I HA -0.212 3.958 4.170 0.000 0.000 0.254 656 I C 2.087 178.205 176.117 0.000 0.000 1.160 656 I CA 0.638 61.938 61.300 -0.000 0.000 1.445 656 I CB -0.095 37.906 38.000 0.001 0.000 1.086 656 I HN 0.014 nan 8.210 nan 0.000 0.433 657 L N -0.154 121.069 121.223 0.000 0.000 2.093 657 L HA -0.161 4.179 4.340 0.000 0.000 0.208 657 L C 2.469 179.339 176.870 -0.001 0.000 1.085 657 L CA 1.926 56.766 54.840 0.000 0.000 0.755 657 L CB -1.360 40.699 42.059 0.000 0.000 0.904 657 L HN 0.201 nan 8.230 nan 0.000 0.435 658 T N -1.433 113.119 114.554 -0.002 0.000 2.867 658 T HA -0.154 4.196 4.350 0.000 0.000 0.268 658 T C 1.958 176.655 174.700 -0.005 0.000 1.057 658 T CA 1.029 63.127 62.100 -0.004 0.000 1.136 658 T CB 0.035 68.899 68.868 -0.006 0.000 0.874 658 T HN 0.059 nan 8.240 nan 0.000 0.466 659 K N 0.774 121.172 120.400 -0.004 0.000 2.103 659 K HA 0.157 4.477 4.320 0.000 0.000 0.204 659 K C 2.033 178.633 176.600 0.001 0.000 1.052 659 K CA 0.533 56.818 56.287 -0.004 0.000 0.945 659 K CB -0.335 32.163 32.500 -0.003 0.000 0.722 659 K HN 0.201 nan 8.250 nan 0.000 0.443 660 I N 0.741 121.313 120.570 0.003 0.000 2.142 660 I HA -0.206 3.964 4.170 0.000 0.000 0.240 660 I C 2.161 178.282 176.117 0.006 0.000 1.078 660 I CA 1.502 62.806 61.300 0.006 0.000 1.343 660 I CB -1.359 36.644 38.000 0.005 0.000 1.046 660 I HN 0.082 nan 8.210 nan 0.000 0.405 661 A N 0.637 123.459 122.820 0.003 0.000 1.908 661 A HA -0.281 4.039 4.320 0.000 0.000 0.218 661 A C 2.471 180.058 177.584 0.005 0.000 1.181 661 A CA 2.202 54.241 52.037 0.003 0.000 0.627 661 A CB -0.731 18.270 19.000 0.001 0.000 0.818 661 A HN 0.480 nan 8.150 nan 0.000 0.445 662 M N 0.308 119.909 119.600 0.002 0.000 2.086 662 M HA -0.169 4.311 4.480 0.000 0.000 0.261 662 M C 2.268 178.574 176.300 0.010 0.000 1.067 662 M CA 2.554 57.853 55.300 -0.001 0.000 1.116 662 M CB -0.504 32.088 32.600 -0.013 0.000 1.348 662 M HN 0.600 nan 8.290 nan 0.000 0.407 663 T N -2.456 112.107 114.554 0.015 0.000 2.867 663 T HA -0.093 4.257 4.350 0.000 0.000 0.268 663 T C 1.979 176.702 174.700 0.038 0.000 1.057 663 T CA 1.590 63.711 62.100 0.033 0.000 1.136 663 T CB -0.688 68.199 68.868 0.032 0.000 0.874 663 T HN 0.486 nan 8.240 nan 0.000 0.466 664 S N 1.164 116.879 115.700 0.025 0.000 2.355 664 S HA -0.005 4.465 4.470 0.000 0.000 0.222 664 S C 2.032 176.647 174.600 0.026 0.000 1.031 664 S CA 0.936 59.150 58.200 0.022 0.000 0.993 664 S CB -0.670 62.538 63.200 0.014 0.000 0.859 664 S HN 0.585 nan 8.310 nan 0.000 0.453 665 I N 1.715 122.299 120.570 0.024 0.000 2.264 665 I HA -0.116 4.054 4.170 0.000 0.000 0.248 665 I C 1.356 177.498 176.117 0.041 0.000 1.111 665 I CA 1.018 62.334 61.300 0.026 0.000 1.382 665 I CB -0.965 37.046 38.000 0.018 0.000 1.060 665 I HN 0.452 nan 8.210 nan 0.000 0.418 666 T N -0.765 113.825 114.554 0.059 0.000 2.900 666 T HA 0.366 4.716 4.350 0.000 0.000 0.307 666 T C 1.143 175.904 174.700 0.102 0.000 1.065 666 T CA 0.056 62.219 62.100 0.106 0.000 1.105 666 T CB 1.378 70.347 68.868 0.168 0.000 0.979 666 T HN 0.599 nan 8.240 nan 0.000 0.544 667 G N 1.400 110.271 108.800 0.117 0.000 2.176 667 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 667 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 667 G C -0.039 174.883 174.900 0.036 0.000 0.979 667 G CA 0.409 45.544 45.100 0.059 0.000 0.641 667 G HN 0.935 nan 8.290 nan 0.000 0.530 668 K N -0.908 119.518 120.400 0.044 0.000 2.352 668 K HA 0.609 4.929 4.320 0.000 0.000 0.240 668 K C 1.542 178.162 176.600 0.034 0.000 1.017 668 K CA -0.539 55.767 56.287 0.030 0.000 0.851 668 K CB 1.280 33.796 32.500 0.026 0.000 1.261 668 K HN 0.169 nan 8.250 nan 0.000 0.451 669 G N 0.391 109.207 108.800 0.027 0.000 2.448 669 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 669 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 669 G C 1.265 176.182 174.900 0.028 0.000 1.127 669 G CA 1.111 46.227 45.100 0.027 0.000 0.766 669 G HN 0.613 nan 8.290 nan 0.000 0.552 670 A N 1.532 124.368 122.820 0.026 0.000 2.121 670 A HA 0.004 4.324 4.320 0.000 0.000 0.218 670 A C 2.135 179.733 177.584 0.023 0.000 1.154 670 A CA 1.670 53.721 52.037 0.023 0.000 0.679 670 A CB -0.386 18.627 19.000 0.021 0.000 0.795 670 A HN 0.656 nan 8.150 nan 0.000 0.458 671 E N 0.527 120.745 120.200 0.031 0.000 2.401 671 E HA -0.216 4.134 4.350 0.000 0.000 0.199 671 E C 1.457 178.069 176.600 0.019 0.000 1.023 671 E CA 1.228 57.646 56.400 0.031 0.000 0.859 671 E CB -0.317 29.418 29.700 0.059 0.000 0.780 671 E HN 0.612 nan 8.360 nan 0.000 0.523 672 K N 0.493 120.905 120.400 0.021 0.000 2.147 672 K HA -0.063 4.257 4.320 0.000 0.000 0.205 672 K C 1.389 177.992 176.600 0.006 0.000 1.049 672 K CA 1.291 57.586 56.287 0.014 0.000 0.936 672 K CB 0.055 32.565 32.500 0.017 0.000 0.722 672 K HN 0.229 nan 8.250 nan 0.000 0.446 673 A N 1.269 124.093 122.820 0.006 0.000 2.631 673 A HA 0.079 4.399 4.320 0.000 0.000 0.294 673 A C 1.174 178.758 177.584 -0.000 0.000 1.156 673 A CA -0.488 51.550 52.037 0.002 0.000 0.963 673 A CB -0.097 18.906 19.000 0.006 0.000 1.202 673 A HN 0.253 nan 8.150 nan 0.000 0.523 674 K N 0.116 120.515 120.400 -0.002 0.000 2.286 674 K HA -0.223 4.097 4.320 0.000 0.000 0.203 674 K C 0.841 177.435 176.600 -0.009 0.000 1.045 674 K CA 1.969 58.253 56.287 -0.004 0.000 0.935 674 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 674 K HN 0.348 nan 8.250 nan 0.000 0.460 675 E N 1.437 121.629 120.200 -0.013 0.000 2.046 675 E HA -0.136 4.214 4.350 0.000 0.000 0.190 675 E C 1.930 178.525 176.600 -0.007 0.000 0.982 675 E CA 1.345 57.737 56.400 -0.013 0.000 0.800 675 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 675 E HN 0.305 nan 8.360 nan 0.000 0.449 676 K N 0.279 120.676 120.400 -0.004 0.000 2.057 676 K HA -0.072 4.248 4.320 0.000 0.000 0.206 676 K C 1.667 178.268 176.600 0.001 0.000 1.050 676 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 676 K CB -0.229 32.272 32.500 0.002 0.000 0.715 676 K HN -0.014 nan 8.250 nan 0.000 0.439 677 L N 0.680 121.904 121.223 0.002 0.000 2.083 677 L HA -0.002 4.338 4.340 0.000 0.000 0.209 677 L C 2.301 179.172 176.870 0.002 0.000 1.083 677 L CA 1.935 56.777 54.840 0.004 0.000 0.752 677 L CB -1.150 40.912 42.059 0.006 0.000 0.899 677 L HN 0.293 nan 8.230 nan 0.000 0.433 678 A N -0.821 121.999 122.820 -0.000 0.000 1.902 678 A HA -0.252 4.068 4.320 0.000 0.000 0.217 678 A C 2.360 179.943 177.584 -0.002 0.000 1.181 678 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 678 A CB -0.563 18.434 19.000 -0.005 0.000 0.818 678 A HN 0.493 nan 8.150 nan 0.000 0.443 679 E N -0.132 120.067 120.200 -0.002 0.000 2.077 679 E HA -0.183 4.167 4.350 0.000 0.000 0.193 679 E C 1.865 178.465 176.600 -0.000 0.000 0.989 679 E CA 1.348 57.748 56.400 -0.001 0.000 0.800 679 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 679 E HN 0.666 nan 8.360 nan 0.000 0.452 680 I N 0.951 121.522 120.570 0.001 0.000 2.226 680 I HA -0.272 3.899 4.170 0.000 0.000 0.245 680 I C 2.224 178.341 176.117 -0.000 0.000 1.100 680 I CA 0.642 61.943 61.300 0.002 0.000 1.374 680 I CB -0.173 37.830 38.000 0.005 0.000 1.057 680 I HN 0.258 nan 8.210 nan 0.000 0.413 681 I N 0.527 121.097 120.570 -0.001 0.000 2.353 681 I HA -0.142 4.028 4.170 0.000 0.000 0.248 681 I C 2.681 178.796 176.117 -0.004 0.000 1.119 681 I CA 1.421 62.720 61.300 -0.003 0.000 1.417 681 I CB -1.019 36.981 38.000 -0.001 0.000 1.078 681 I HN 0.199 nan 8.210 nan 0.000 0.421 682 V N -1.107 118.805 119.914 -0.003 0.000 2.809 682 V HA -0.120 4.000 4.120 0.000 0.000 0.256 682 V C 2.179 178.271 176.094 -0.004 0.000 1.080 682 V CA 1.583 63.881 62.300 -0.003 0.000 1.102 682 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 682 V HN 0.434 nan 8.190 nan 0.000 0.475 683 E N 1.077 121.275 120.200 -0.004 0.000 2.076 683 E HA -0.038 4.312 4.350 0.000 0.000 0.190 683 E C 2.206 178.799 176.600 -0.011 0.000 0.979 683 E CA 1.118 57.515 56.400 -0.005 0.000 0.807 683 E CB -0.240 29.458 29.700 -0.003 0.000 0.761 683 E HN 0.642 nan 8.360 nan 0.000 0.454 684 A N 0.741 123.554 122.820 -0.012 0.000 1.858 684 A HA -0.139 4.181 4.320 0.000 0.000 0.216 684 A C 2.387 179.958 177.584 -0.022 0.000 1.190 684 A CA 1.606 53.632 52.037 -0.018 0.000 0.617 684 A CB -0.781 18.211 19.000 -0.015 0.000 0.827 684 A HN 0.226 nan 8.150 nan 0.000 0.443 685 V N -0.278 119.627 119.914 -0.015 0.000 2.515 685 V HA -0.169 3.951 4.120 0.000 0.000 0.250 685 V C 2.763 178.849 176.094 -0.013 0.000 1.058 685 V CA 2.155 64.447 62.300 -0.014 0.000 1.064 685 V CB -0.592 31.226 31.823 -0.009 0.000 0.675 685 V HN 0.671 nan 8.190 nan 0.000 0.461 686 S N -0.012 115.681 115.700 -0.011 0.000 2.383 686 S HA -0.119 4.351 4.470 0.000 0.000 0.227 686 S C 2.108 176.699 174.600 -0.015 0.000 1.026 686 S CA 1.457 59.653 58.200 -0.008 0.000 0.981 686 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 686 S HN 0.597 nan 8.310 nan 0.000 0.472 687 A N 1.068 123.870 122.820 -0.031 0.000 1.873 687 A HA 0.025 4.345 4.320 0.000 0.000 0.215 687 A C 2.375 179.904 177.584 -0.091 0.000 1.186 687 A CA 1.760 53.759 52.037 -0.063 0.000 0.616 687 A CB -0.985 17.974 19.000 -0.068 0.000 0.823 687 A HN 0.942 nan 8.150 nan 0.000 0.442 688 V N -3.062 116.813 119.914 -0.065 0.000 2.788 688 V HA -0.008 4.112 4.120 0.000 0.000 0.251 688 V C 2.094 178.167 176.094 -0.035 0.000 1.068 688 V CA 1.486 63.748 62.300 -0.063 0.000 1.090 688 V CB -0.549 31.245 31.823 -0.048 0.000 0.710 688 V HN 0.205 nan 8.190 nan 0.000 0.467 689 V N 0.497 120.400 119.914 -0.019 0.000 2.515 689 V HA -0.093 4.027 4.120 0.000 0.000 0.250 689 V C 1.610 177.713 176.094 0.015 0.000 1.058 689 V CA 2.402 64.701 62.300 -0.002 0.000 1.064 689 V CB -0.533 31.290 31.823 0.001 0.000 0.675 689 V HN 0.869 nan 8.190 nan 0.000 0.461 690 D N -0.758 119.656 120.400 0.024 0.000 4.344 690 D HA -0.223 4.417 4.640 0.000 0.000 0.144 690 D C 0.552 176.886 176.300 0.056 0.000 0.730 690 D CA 1.934 55.978 54.000 0.073 0.000 1.156 690 D CB -1.242 39.623 40.800 0.109 0.000 0.570 690 D HN 0.565 nan 8.370 nan 0.000 0.533 691 D N 1.634 122.062 120.400 0.047 0.000 2.398 691 D HA 0.236 4.876 4.640 0.000 0.000 0.247 691 D C -0.238 176.074 176.300 0.020 0.000 1.227 691 D CA 0.168 54.186 54.000 0.030 0.000 0.980 691 D CB 0.611 41.425 40.800 0.024 0.000 1.106 691 D HN 0.261 nan 8.370 nan 0.000 0.493 692 E N 0.027 120.236 120.200 0.015 0.000 2.079 692 E HA 0.518 4.868 4.350 0.000 0.000 0.252 692 E C -0.704 175.902 176.600 0.009 0.000 0.992 692 E CA -0.509 55.897 56.400 0.011 0.000 0.829 692 E CB -0.343 29.363 29.700 0.009 0.000 1.158 692 E HN 0.515 nan 8.360 nan 0.000 0.435 693 G N 2.746 111.551 108.800 0.008 0.000 2.358 693 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 693 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 693 G C -1.867 173.037 174.900 0.007 0.000 1.537 693 G CA -0.844 44.262 45.100 0.009 0.000 0.928 693 G HN 0.194 nan 8.290 nan 0.000 0.656 694 K N 0.435 120.839 120.400 0.006 0.000 2.561 694 K HA 0.578 4.898 4.320 0.000 0.000 0.254 694 K C -1.424 175.177 176.600 0.002 0.000 0.942 694 K CA -0.538 55.751 56.287 0.004 0.000 0.818 694 K CB 2.307 34.810 32.500 0.004 0.000 1.306 694 K HN 0.600 nan 8.250 nan 0.000 0.435 695 V N 2.929 122.843 119.914 -0.000 0.000 2.459 695 V HA 0.346 4.466 4.120 0.000 0.000 0.295 695 V C -0.539 175.553 176.094 -0.005 0.000 1.029 695 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 695 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 695 V HN 0.673 nan 8.190 nan 0.000 0.438 696 D N 3.310 123.706 120.400 -0.008 0.000 2.471 696 D HA 0.240 4.880 4.640 0.000 0.000 0.245 696 D C 0.778 177.070 176.300 -0.013 0.000 1.116 696 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 696 D CB 1.814 42.608 40.800 -0.009 0.000 1.123 696 D HN 0.523 nan 8.370 nan 0.000 0.540 697 K N 2.732 123.126 120.400 -0.012 0.000 2.218 697 K HA -0.237 4.084 4.320 0.000 0.000 0.205 697 K C 0.921 177.510 176.600 -0.018 0.000 1.046 697 K CA 1.401 57.679 56.287 -0.014 0.000 0.933 697 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 697 K HN 0.349 nan 8.250 nan 0.000 0.454 698 D N 0.260 120.649 120.400 -0.018 0.000 2.309 698 D HA -0.126 4.514 4.640 0.000 0.000 0.212 698 D C 1.483 177.766 176.300 -0.029 0.000 0.968 698 D CA 0.777 54.764 54.000 -0.023 0.000 0.882 698 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 698 D HN 0.282 nan 8.370 nan 0.000 0.503 699 L N -0.355 120.851 121.223 -0.028 0.000 2.492 699 L HA 0.172 4.512 4.340 0.000 0.000 0.223 699 L C 0.410 177.256 176.870 -0.039 0.000 1.132 699 L CA 0.204 55.023 54.840 -0.035 0.000 0.850 699 L CB 0.153 42.192 42.059 -0.032 0.000 0.966 699 L HN 0.015 nan 8.230 nan 0.000 0.454 700 I N 0.630 121.179 120.570 -0.034 0.000 2.420 700 I HA 0.180 4.350 4.170 0.000 0.000 0.282 700 I C 0.022 176.118 176.117 -0.035 0.000 1.019 700 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 700 I CB 1.629 39.613 38.000 -0.026 0.000 1.262 700 I HN -0.040 nan 8.210 nan 0.000 0.454 701 K N 6.764 127.138 120.400 -0.044 0.000 2.249 701 K HA 0.405 4.725 4.320 0.000 0.000 0.280 701 K C -0.634 175.942 176.600 -0.041 0.000 1.033 701 K CA -0.479 55.780 56.287 -0.047 0.000 0.946 701 K CB 0.904 33.365 32.500 -0.065 0.000 1.005 701 K HN 0.459 nan 8.250 nan 0.000 0.469 702 I N 4.257 124.806 120.570 -0.035 0.000 2.347 702 I HA 0.184 4.354 4.170 0.000 0.000 0.283 702 I C -0.216 175.882 176.117 -0.032 0.000 1.058 702 I CA -0.550 60.734 61.300 -0.027 0.000 1.202 702 I CB 0.424 38.413 38.000 -0.018 0.000 1.386 702 I HN 0.668 nan 8.210 nan 0.000 0.475 703 E N 6.777 126.954 120.200 -0.037 0.000 2.204 703 E HA 0.590 4.940 4.350 0.000 0.000 0.276 703 E C -0.784 175.801 176.600 -0.025 0.000 0.974 703 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 703 E CB 1.397 31.053 29.700 -0.073 0.000 1.119 703 E HN 0.544 nan 8.360 nan 0.000 0.393 704 K N 1.922 122.309 120.400 -0.022 0.000 2.468 704 K HA 0.697 5.018 4.320 0.000 0.000 0.252 704 K C -1.251 175.344 176.600 -0.008 0.000 0.932 704 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 704 K CB 1.843 34.337 32.500 -0.009 0.000 1.241 704 K HN 0.189 nan 8.250 nan 0.000 0.428 705 K N 1.599 122.001 120.400 0.004 0.000 2.588 705 K HA 0.191 4.511 4.320 0.000 0.000 0.250 705 K C -1.000 175.607 176.600 0.012 0.000 0.972 705 K CA -0.341 55.951 56.287 0.009 0.000 0.821 705 K CB 1.910 34.426 32.500 0.025 0.000 1.249 705 K HN 0.852 nan 8.250 nan 0.000 0.442 706 S N 2.003 117.704 115.700 0.001 0.000 2.576 706 S HA 0.684 5.154 4.470 0.000 0.000 0.272 706 S C 0.531 175.138 174.600 0.011 0.000 1.352 706 S CA 0.502 58.703 58.200 0.001 0.000 1.021 706 S CB 0.512 63.705 63.200 -0.011 0.000 0.887 706 S HN 1.385 nan 8.310 nan 0.000 0.542 707 G N -0.060 108.746 108.800 0.011 0.000 2.484 707 G HA2 0.483 4.444 3.960 0.000 0.000 0.685 707 G HA3 0.483 4.444 3.960 0.000 0.000 0.685 707 G C -0.061 174.848 174.900 0.015 0.000 1.294 707 G CA -0.008 45.100 45.100 0.013 0.000 0.879 707 G HN 2.455 nan 8.290 nan 0.000 0.646 708 A N -0.710 122.117 122.820 0.013 0.000 5.953 708 A HA 0.384 4.704 4.320 0.000 0.000 0.267 708 A C 1.162 178.754 177.584 0.012 0.000 2.116 708 A CA 1.980 54.025 52.037 0.012 0.000 0.711 708 A CB -1.624 17.385 19.000 0.015 0.000 1.100 708 A HN 2.726 nan 8.150 nan 0.000 0.364 709 S N -2.590 113.117 115.700 0.013 0.000 2.810 709 S HA 0.750 5.220 4.470 0.000 0.000 0.315 709 S C 1.302 175.911 174.600 0.014 0.000 1.138 709 S CA 0.011 58.218 58.200 0.013 0.000 0.889 709 S CB 0.921 64.128 63.200 0.011 0.000 1.236 709 S HN 0.967 nan 8.310 nan 0.000 0.548 710 I N 1.195 121.773 120.570 0.015 0.000 2.315 710 I HA -0.092 4.079 4.170 0.000 0.000 0.248 710 I C 1.931 178.055 176.117 0.013 0.000 1.117 710 I CA 1.391 62.700 61.300 0.015 0.000 1.404 710 I CB -0.301 37.708 38.000 0.015 0.000 1.071 710 I HN 0.694 nan 8.210 nan 0.000 0.419 711 D N 1.016 121.422 120.400 0.011 0.000 2.221 711 D HA -0.210 4.430 4.640 0.000 0.000 0.204 711 D C 1.592 177.898 176.300 0.010 0.000 0.982 711 D CA 1.140 55.145 54.000 0.008 0.000 0.857 711 D CB -0.016 40.788 40.800 0.006 0.000 0.934 711 D HN 0.248 nan 8.370 nan 0.000 0.475 712 D N -0.435 119.972 120.400 0.012 0.000 2.347 712 D HA -0.037 4.603 4.640 0.000 0.000 0.215 712 D C 0.238 176.551 176.300 0.022 0.000 0.976 712 D CA 0.390 54.399 54.000 0.014 0.000 0.884 712 D CB -0.187 40.621 40.800 0.014 0.000 0.915 712 D HN 0.162 nan 8.370 nan 0.000 0.526 713 T N 1.513 116.080 114.554 0.022 0.000 2.933 713 T HA 0.085 4.435 4.350 0.000 0.000 0.306 713 T C 0.303 175.019 174.700 0.027 0.000 1.045 713 T CA 0.688 62.804 62.100 0.026 0.000 1.143 713 T CB 0.967 69.846 68.868 0.019 0.000 1.003 713 T HN 0.033 nan 8.240 nan 0.000 0.540 714 E N 1.625 121.847 120.200 0.037 0.000 2.372 714 E HA 0.527 4.877 4.350 0.000 0.000 0.279 714 E C -1.890 174.737 176.600 0.045 0.000 0.946 714 E CA -0.830 55.593 56.400 0.039 0.000 0.769 714 E CB 1.087 30.815 29.700 0.046 0.000 1.230 714 E HN 0.367 nan 8.360 nan 0.000 0.442 715 L N 3.899 125.143 121.223 0.035 0.000 2.289 715 L HA 0.622 4.962 4.340 0.000 0.000 0.285 715 L C -1.247 175.649 176.870 0.043 0.000 1.049 715 L CA -0.247 54.610 54.840 0.028 0.000 0.804 715 L CB 0.841 42.908 42.059 0.012 0.000 1.195 715 L HN 0.596 nan 8.230 nan 0.000 0.428 716 I N 4.751 125.348 120.570 0.045 0.000 2.354 716 I HA 0.300 4.470 4.170 0.000 0.000 0.286 716 I C -0.107 176.026 176.117 0.026 0.000 1.007 716 I CA -0.443 60.896 61.300 0.065 0.000 1.167 716 I CB 1.197 39.266 38.000 0.114 0.000 1.320 716 I HN 0.425 nan 8.210 nan 0.000 0.458 717 K N 5.266 125.680 120.400 0.023 0.000 2.199 717 K HA 0.551 4.871 4.320 0.000 0.000 0.226 717 K C 0.513 177.112 176.600 -0.001 0.000 1.237 717 K CA -0.078 56.209 56.287 -0.001 0.000 1.170 717 K CB -0.286 32.213 32.500 -0.003 0.000 1.418 717 K HN 0.869 nan 8.250 nan 0.000 0.255 718 G N -1.375 107.418 108.800 -0.012 0.000 2.512 718 G HA2 0.167 4.127 3.960 0.000 0.000 0.181 718 G HA3 0.167 4.127 3.960 0.000 0.000 0.181 718 G C -1.624 173.248 174.900 -0.048 0.000 1.173 718 G CA -0.739 44.348 45.100 -0.021 0.000 0.988 718 G HN 0.043 nan 8.290 nan 0.000 0.485 719 V N 0.833 120.709 119.914 -0.064 0.000 2.531 719 V HA 0.693 4.814 4.120 0.000 0.000 0.301 719 V C -0.903 175.102 176.094 -0.148 0.000 1.034 719 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 719 V CB 1.450 33.171 31.823 -0.171 0.000 0.995 719 V HN 0.889 nan 8.190 nan 0.000 0.424 720 L N 7.607 128.706 121.223 -0.207 0.000 2.305 720 L HA 0.842 5.182 4.340 0.000 0.000 0.284 720 L C -0.384 176.328 176.870 -0.263 0.000 1.013 720 L CA -0.177 54.451 54.840 -0.354 0.000 0.819 720 L CB 1.648 43.390 42.059 -0.528 0.000 1.227 720 L HN 0.582 nan 8.230 nan 0.000 0.417 721 V N 1.585 121.366 119.914 -0.222 0.000 2.769 721 V HA 0.633 4.753 4.120 0.000 0.000 0.312 721 V C -0.369 175.668 176.094 -0.096 0.000 1.061 721 V CA -0.523 61.701 62.300 -0.127 0.000 0.931 721 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 721 V HN 0.812 nan 8.190 nan 0.000 0.433 722 D N 1.001 121.365 120.400 -0.060 0.000 3.134 722 D HA 0.326 4.966 4.640 0.000 0.000 0.248 722 D C -0.115 176.188 176.300 0.006 0.000 1.273 722 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 722 D CB 0.215 40.997 40.800 -0.030 0.000 1.089 722 D HN 0.547 nan 8.370 nan 0.000 0.478 723 K N 0.237 120.654 120.400 0.029 0.000 2.352 723 K HA 0.558 4.878 4.320 0.000 0.000 0.240 723 K C 0.002 176.635 176.600 0.055 0.000 1.017 723 K CA -0.865 55.455 56.287 0.055 0.000 0.851 723 K CB 1.942 34.503 32.500 0.102 0.000 1.261 723 K HN 0.294 nan 8.250 nan 0.000 0.451 724 E N -0.156 120.070 120.200 0.042 0.000 2.416 724 E HA 0.455 4.805 4.350 0.000 0.000 0.273 724 E C -0.965 175.638 176.600 0.005 0.000 0.935 724 E CA -1.092 55.326 56.400 0.029 0.000 0.784 724 E CB 1.448 31.162 29.700 0.024 0.000 1.301 724 E HN 0.281 nan 8.360 nan 0.000 0.454 725 R N 0.921 121.418 120.500 -0.006 0.000 2.401 725 R HA 0.075 4.415 4.340 0.000 0.000 0.299 725 R C 1.338 177.625 176.300 -0.023 0.000 1.064 725 R CA 0.251 56.332 56.100 -0.032 0.000 1.000 725 R CB 0.878 31.160 30.300 -0.031 0.000 0.973 725 R HN 0.577 nan 8.270 nan 0.000 0.438 726 V N -0.139 119.756 119.914 -0.030 0.000 2.867 726 V HA -0.115 4.005 4.120 0.000 0.000 0.260 726 V C 0.772 176.859 176.094 -0.012 0.000 1.099 726 V CA 1.227 63.516 62.300 -0.017 0.000 1.122 726 V CB -0.154 31.659 31.823 -0.018 0.000 0.708 726 V HN 0.561 nan 8.190 nan 0.000 0.490 727 S N -1.013 114.676 115.700 -0.018 0.000 2.521 727 S HA 0.774 5.244 4.470 0.000 0.000 0.295 727 S C 0.873 175.465 174.600 -0.014 0.000 1.098 727 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 727 S CB 1.859 65.048 63.200 -0.017 0.000 1.034 727 S HN 0.724 nan 8.310 nan 0.000 0.483 728 A N 3.019 125.835 122.820 -0.007 0.000 2.070 728 A HA -0.076 4.244 4.320 0.000 0.000 0.220 728 A C 1.873 179.451 177.584 -0.011 0.000 1.159 728 A CA 1.884 53.917 52.037 -0.006 0.000 0.656 728 A CB -0.674 18.325 19.000 -0.001 0.000 0.800 728 A HN 0.809 nan 8.150 nan 0.000 0.453 729 Q N -0.529 119.261 119.800 -0.017 0.000 2.378 729 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 729 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 729 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 729 Q CB -0.457 28.254 28.738 -0.045 0.000 0.981 729 Q HN 0.679 nan 8.270 nan 0.000 0.483 730 M N 2.251 121.829 119.600 -0.037 0.000 2.245 730 M HA 0.194 4.674 4.480 0.000 0.000 0.344 730 M C -1.920 174.363 176.300 -0.029 0.000 1.170 730 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 730 M CB 0.389 32.962 32.600 -0.044 0.000 1.574 730 M HN -0.054 nan 8.290 nan 0.000 0.452 731 P HA -0.022 nan 4.420 nan 0.000 0.265 731 P C -0.237 177.055 177.300 -0.013 0.000 1.187 731 P CA 0.248 63.337 63.100 -0.018 0.000 0.766 731 P CB 0.466 32.156 31.700 -0.017 0.000 0.820 732 K N 2.260 122.657 120.400 -0.006 0.000 2.426 732 K HA 0.008 4.328 4.320 0.000 0.000 0.193 732 K C 0.149 176.755 176.600 0.010 0.000 1.028 732 K CA 0.478 56.766 56.287 0.002 0.000 1.047 732 K CB 0.094 32.594 32.500 0.002 0.000 0.821 732 K HN 0.449 nan 8.250 nan 0.000 0.513 733 K N -0.720 119.683 120.400 0.006 0.000 2.561 733 K HA 0.263 4.584 4.320 0.000 0.000 0.254 733 K C -1.541 175.064 176.600 0.009 0.000 0.942 733 K CA -0.942 55.352 56.287 0.012 0.000 0.818 733 K CB 2.047 34.551 32.500 0.007 0.000 1.306 733 K HN -0.218 nan 8.250 nan 0.000 0.435 734 V N 2.206 122.129 119.914 0.017 0.000 2.531 734 V HA 0.437 4.557 4.120 0.000 0.000 0.301 734 V C -0.159 175.948 176.094 0.023 0.000 1.034 734 V CA -0.528 61.781 62.300 0.014 0.000 0.865 734 V CB 1.815 33.643 31.823 0.009 0.000 0.995 734 V HN 0.997 nan 8.190 nan 0.000 0.424 735 T N 0.016 114.581 114.554 0.017 0.000 2.929 735 T HA 0.534 4.884 4.350 0.000 0.000 0.284 735 T C 0.179 174.891 174.700 0.021 0.000 1.014 735 T CA -0.217 61.895 62.100 0.020 0.000 1.051 735 T CB 1.277 70.153 68.868 0.014 0.000 1.028 735 T HN 0.777 nan 8.240 nan 0.000 0.485 736 D N 0.148 120.563 120.400 0.024 0.000 2.689 736 D HA -0.156 4.484 4.640 0.000 0.000 0.237 736 D C 0.303 176.620 176.300 0.028 0.000 1.148 736 D CA 0.824 54.839 54.000 0.024 0.000 0.656 736 D CB -1.279 39.532 40.800 0.018 0.000 1.050 736 D HN 1.100 nan 8.370 nan 0.000 0.426 737 A N 1.347 124.189 122.820 0.036 0.000 2.511 737 A HA 0.354 4.674 4.320 0.000 0.000 0.242 737 A C 0.510 178.121 177.584 0.046 0.000 1.069 737 A CA 0.200 52.262 52.037 0.042 0.000 0.763 737 A CB 0.545 19.581 19.000 0.060 0.000 1.001 737 A HN 0.158 nan 8.150 nan 0.000 0.498 738 K N 3.026 123.450 120.400 0.040 0.000 2.404 738 K HA 0.383 4.703 4.320 0.000 0.000 0.257 738 K C -1.214 175.419 176.600 0.055 0.000 1.026 738 K CA -0.247 56.065 56.287 0.041 0.000 0.951 738 K CB 0.936 33.452 32.500 0.027 0.000 1.203 738 K HN 0.524 nan 8.250 nan 0.000 0.446 739 I N 2.142 122.761 120.570 0.082 0.000 2.371 739 I HA 0.201 4.371 4.170 0.000 0.000 0.290 739 I C 0.370 176.555 176.117 0.113 0.000 1.028 739 I CA -0.146 61.234 61.300 0.133 0.000 1.345 739 I CB 1.362 39.477 38.000 0.193 0.000 1.407 739 I HN 0.517 nan 8.210 nan 0.000 0.501 740 A N 7.500 130.390 122.820 0.117 0.000 2.337 740 A HA 0.856 5.176 4.320 0.000 0.000 0.329 740 A C -0.793 176.876 177.584 0.142 0.000 1.146 740 A CA -0.569 51.524 52.037 0.094 0.000 0.800 740 A CB 0.707 19.739 19.000 0.054 0.000 1.220 740 A HN 0.653 nan 8.150 nan 0.000 0.472 741 L N 3.407 124.693 121.223 0.105 0.000 2.318 741 L HA 0.420 4.760 4.340 0.000 0.000 0.277 741 L C -0.919 175.993 176.870 0.070 0.000 1.008 741 L CA -0.081 54.822 54.840 0.105 0.000 0.846 741 L CB 0.959 43.059 42.059 0.068 0.000 1.220 741 L HN 0.571 nan 8.230 nan 0.000 0.423 742 L N 2.757 124.025 121.223 0.075 0.000 2.325 742 L HA 0.432 4.772 4.340 0.000 0.000 0.278 742 L C 0.785 177.685 176.870 0.049 0.000 1.023 742 L CA -0.340 54.531 54.840 0.052 0.000 0.811 742 L CB 1.901 43.988 42.059 0.046 0.000 1.249 742 L HN 0.518 nan 8.230 nan 0.000 0.431 743 N N 0.824 119.545 118.700 0.036 0.000 2.454 743 N HA -0.016 4.724 4.740 0.000 0.000 0.177 743 N C 0.501 176.027 175.510 0.027 0.000 1.049 743 N CA -0.025 53.043 53.050 0.030 0.000 0.887 743 N CB 0.331 38.831 38.487 0.022 0.000 1.095 743 N HN 0.743 nan 8.380 nan 0.000 0.446 744 C N 1.348 120.663 119.300 0.025 0.000 2.656 744 C HA 0.779 5.239 4.460 0.000 0.000 0.391 744 C C 0.984 175.989 174.990 0.025 0.000 1.300 744 C CA -1.340 57.692 59.018 0.023 0.000 2.302 744 C CB -0.448 27.305 27.740 0.021 0.000 2.655 744 C HN 0.426 nan 8.230 nan 0.000 0.656 745 A N 2.774 125.608 122.820 0.023 0.000 2.388 745 A HA 0.580 4.900 4.320 0.000 0.000 0.257 745 A C 0.182 177.782 177.584 0.026 0.000 1.095 745 A CA -0.598 51.453 52.037 0.024 0.000 0.791 745 A CB -0.059 18.954 19.000 0.022 0.000 1.029 745 A HN 0.901 nan 8.150 nan 0.000 0.489 746 I N 2.758 123.344 120.570 0.027 0.000 2.206 746 I HA 0.182 4.352 4.170 0.000 0.000 0.292 746 I C 0.441 176.579 176.117 0.035 0.000 1.156 746 I CA 0.246 61.565 61.300 0.031 0.000 1.356 746 I CB -0.693 37.326 38.000 0.032 0.000 1.494 746 I HN 0.871 nan 8.210 nan 0.000 0.601 747 E N 3.927 124.146 120.200 0.033 0.000 2.456 747 E HA 0.469 4.819 4.350 0.000 0.000 0.276 747 E C -0.753 175.868 176.600 0.034 0.000 0.981 747 E CA -1.179 55.242 56.400 0.034 0.000 0.814 747 E CB 1.513 31.230 29.700 0.028 0.000 1.382 747 E HN 0.020 nan 8.360 nan 0.000 0.459 748 I N 2.248 122.840 120.570 0.036 0.000 2.705 748 I HA -0.028 4.142 4.170 0.000 0.000 0.291 748 I C 0.653 176.788 176.117 0.031 0.000 1.146 748 I CA 0.460 61.782 61.300 0.037 0.000 1.383 748 I CB -0.374 37.651 38.000 0.042 0.000 1.454 748 I HN 0.328 nan 8.210 nan 0.000 0.581 749 K N 5.196 125.613 120.400 0.028 0.000 2.511 749 K HA -0.058 4.262 4.320 0.000 0.000 0.280 749 K C 0.038 176.652 176.600 0.024 0.000 1.008 749 K CA 0.218 56.520 56.287 0.024 0.000 1.050 749 K CB 0.390 32.903 32.500 0.022 0.000 0.889 749 K HN 0.466 nan 8.250 nan 0.000 0.484 750 E N 2.241 122.453 120.200 0.020 0.000 2.179 750 E HA 0.151 4.501 4.350 0.000 0.000 0.275 750 E C -0.836 175.774 176.600 0.015 0.000 0.945 750 E CA -0.553 55.858 56.400 0.018 0.000 0.792 750 E CB 0.987 30.695 29.700 0.014 0.000 1.125 750 E HN 0.578 nan 8.360 nan 0.000 0.397 751 T N 1.934 116.498 114.554 0.015 0.000 2.903 751 T HA 0.095 4.445 4.350 0.000 0.000 0.314 751 T C 0.886 175.592 174.700 0.010 0.000 1.078 751 T CA -0.491 61.617 62.100 0.014 0.000 1.114 751 T CB 0.753 69.630 68.868 0.015 0.000 0.987 751 T HN 0.448 nan 8.240 nan 0.000 0.548 752 E N 0.726 120.932 120.200 0.010 0.000 2.046 752 E HA -0.027 4.324 4.350 0.000 0.000 0.190 752 E C 1.302 177.906 176.600 0.006 0.000 0.982 752 E CA 0.902 57.307 56.400 0.008 0.000 0.800 752 E CB -0.580 29.124 29.700 0.008 0.000 0.756 752 E HN 0.795 nan 8.360 nan 0.000 0.449 753 T N 1.852 116.410 114.554 0.006 0.000 2.930 753 T HA -0.005 4.345 4.350 0.000 0.000 0.306 753 T C -0.327 174.375 174.700 0.004 0.000 1.045 753 T CA -0.610 61.493 62.100 0.005 0.000 1.134 753 T CB 0.356 69.227 68.868 0.006 0.000 0.961 753 T HN -0.178 nan 8.240 nan 0.000 0.545 754 D N 2.734 123.136 120.400 0.002 0.000 2.450 754 D HA 0.471 5.111 4.640 0.000 0.000 0.247 754 D C -0.247 176.052 176.300 -0.002 0.000 1.162 754 D CA 0.515 54.515 54.000 -0.001 0.000 0.879 754 D CB 0.705 41.503 40.800 -0.002 0.000 1.163 754 D HN 0.743 nan 8.370 nan 0.000 0.472 755 A N 2.802 125.620 122.820 -0.004 0.000 2.547 755 A HA 0.601 4.921 4.320 0.000 0.000 0.297 755 A C -0.785 176.789 177.584 -0.017 0.000 1.056 755 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 755 A CB 1.657 20.658 19.000 0.002 0.000 1.282 755 A HN 0.459 nan 8.150 nan 0.000 0.400 756 E N 0.857 121.039 120.200 -0.029 0.000 2.356 756 E HA 0.503 4.853 4.350 0.000 0.000 0.275 756 E C -1.465 175.085 176.600 -0.083 0.000 0.904 756 E CA -0.836 55.532 56.400 -0.053 0.000 0.757 756 E CB 2.299 31.970 29.700 -0.049 0.000 1.232 756 E HN 0.494 nan 8.360 nan 0.000 0.442 757 I N 2.053 122.535 120.570 -0.147 0.000 2.472 757 I HA 0.183 4.353 4.170 0.000 0.000 0.290 757 I C -0.011 175.959 176.117 -0.246 0.000 1.016 757 I CA -0.253 60.884 61.300 -0.271 0.000 1.348 757 I CB 0.483 38.152 38.000 -0.552 0.000 1.417 757 I HN 0.195 nan 8.210 nan 0.000 0.521 758 R N 6.974 127.345 120.500 -0.216 0.000 2.363 758 R HA 0.478 4.818 4.340 0.000 0.000 0.297 758 R C -0.927 175.299 176.300 -0.123 0.000 1.208 758 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 758 R CB 0.681 30.940 30.300 -0.068 0.000 1.124 758 R HN 0.547 nan 8.270 nan 0.000 0.561 759 I N 0.969 121.451 120.570 -0.147 0.000 2.395 759 I HA 0.113 4.283 4.170 0.000 0.000 0.289 759 I C 1.318 177.430 176.117 -0.009 0.000 1.023 759 I CA 0.261 61.524 61.300 -0.062 0.000 1.350 759 I CB 1.551 39.512 38.000 -0.066 0.000 1.409 759 I HN 0.357 nan 8.210 nan 0.000 0.507 760 T N 3.109 117.681 114.554 0.030 0.000 3.262 760 T HA 0.113 4.463 4.350 0.000 0.000 0.300 760 T C -0.502 174.218 174.700 0.035 0.000 0.959 760 T CA -0.154 61.961 62.100 0.024 0.000 0.936 760 T CB -0.212 68.668 68.868 0.019 0.000 1.169 760 T HN 0.619 nan 8.240 nan 0.000 0.532 761 D N 0.639 121.071 120.400 0.052 0.000 2.896 761 D HA 0.355 4.995 4.640 0.000 0.000 0.241 761 D C -2.187 174.145 176.300 0.052 0.000 1.188 761 D CA -1.810 52.218 54.000 0.048 0.000 0.879 761 D CB 2.850 43.681 40.800 0.051 0.000 1.553 761 D HN -0.154 nan 8.370 nan 0.000 0.515 762 P HA -0.135 nan 4.420 nan 0.000 0.217 762 P C 0.963 178.286 177.300 0.039 0.000 1.148 762 P CA 1.353 64.474 63.100 0.034 0.000 0.834 762 P CB 0.335 32.049 31.700 0.023 0.000 0.783 763 A N -0.303 122.539 122.820 0.036 0.000 1.898 763 A HA -0.193 4.127 4.320 0.000 0.000 0.216 763 A C 2.083 179.694 177.584 0.044 0.000 1.181 763 A CA 1.580 53.635 52.037 0.030 0.000 0.620 763 A CB -0.881 18.130 19.000 0.017 0.000 0.819 763 A HN 0.151 nan 8.150 nan 0.000 0.442 764 K N -0.812 119.637 120.400 0.081 0.000 2.148 764 K HA -0.046 4.274 4.320 0.000 0.000 0.204 764 K C 1.820 178.574 176.600 0.256 0.000 1.050 764 K CA 1.040 57.426 56.287 0.166 0.000 0.942 764 K CB -0.307 32.344 32.500 0.252 0.000 0.724 764 K HN 0.376 nan 8.250 nan 0.000 0.446 765 L N 1.000 122.318 121.223 0.159 0.000 2.042 765 L HA -0.199 4.141 4.340 0.000 0.000 0.210 765 L C 1.995 178.938 176.870 0.122 0.000 1.076 765 L CA 1.772 56.689 54.840 0.129 0.000 0.749 765 L CB -0.223 41.877 42.059 0.069 0.000 0.893 765 L HN 0.178 nan 8.230 nan 0.000 0.432 766 M N -1.270 118.381 119.600 0.084 0.000 2.193 766 M HA -0.067 4.414 4.480 0.000 0.000 0.265 766 M C 2.150 178.475 176.300 0.042 0.000 1.071 766 M CA 1.134 56.467 55.300 0.054 0.000 1.140 766 M CB -1.106 31.512 32.600 0.030 0.000 1.369 766 M HN 0.247 nan 8.290 nan 0.000 0.423 767 E N 0.013 120.224 120.200 0.019 0.000 2.051 767 E HA -0.136 4.214 4.350 0.000 0.000 0.192 767 E C 2.071 178.609 176.600 -0.103 0.000 0.991 767 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 767 E CB -0.415 29.176 29.700 -0.182 0.000 0.748 767 E HN 0.455 nan 8.360 nan 0.000 0.449 768 F N 0.657 120.610 119.950 0.005 0.000 2.206 768 F HA -0.051 4.477 4.527 0.000 0.000 0.298 768 F C 2.400 178.205 175.800 0.008 0.000 1.090 768 F CA 0.551 58.554 58.000 0.006 0.000 1.323 768 F CB -0.165 38.837 39.000 0.005 0.000 1.028 768 F HN -0.053 nan 8.300 nan 0.000 0.492 769 I N -0.125 120.559 120.570 0.189 0.000 2.286 769 I HA -0.263 3.907 4.170 0.000 0.000 0.248 769 I C 2.015 178.176 176.117 0.074 0.000 1.115 769 I CA 1.513 62.879 61.300 0.110 0.000 1.392 769 I CB -0.397 37.650 38.000 0.078 0.000 1.065 769 I HN 0.175 nan 8.210 nan 0.000 0.418 770 E N -0.011 120.220 120.200 0.052 0.000 2.216 770 E HA -0.233 4.117 4.350 0.000 0.000 0.192 770 E C 2.030 178.640 176.600 0.017 0.000 0.988 770 E CA 0.521 56.938 56.400 0.029 0.000 0.834 770 E CB 0.035 29.741 29.700 0.009 0.000 0.772 770 E HN 0.330 nan 8.360 nan 0.000 0.479 771 Q N 1.021 120.824 119.800 0.005 0.000 2.172 771 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 771 Q C 1.769 177.789 176.000 0.034 0.000 0.964 771 Q CA 1.137 56.932 55.803 -0.014 0.000 0.855 771 Q CB 0.213 28.900 28.738 -0.084 0.000 0.918 771 Q HN 0.147 nan 8.270 nan 0.000 0.444 772 E N 0.286 120.528 120.200 0.071 0.000 2.051 772 E HA -0.198 4.152 4.350 0.000 0.000 0.192 772 E C 1.718 178.355 176.600 0.063 0.000 0.991 772 E CA 1.124 57.568 56.400 0.073 0.000 0.799 772 E CB -0.155 29.595 29.700 0.082 0.000 0.748 772 E HN 0.481 nan 8.360 nan 0.000 0.449 773 E N 1.388 121.628 120.200 0.066 0.000 2.150 773 E HA -0.197 4.153 4.350 0.000 0.000 0.193 773 E C 1.927 178.565 176.600 0.064 0.000 0.985 773 E CA 1.032 57.485 56.400 0.089 0.000 0.814 773 E CB 0.132 29.890 29.700 0.097 0.000 0.752 773 E HN -0.055 nan 8.360 nan 0.000 0.466 774 K N 0.844 121.258 120.400 0.024 0.000 2.057 774 K HA -0.072 4.249 4.320 0.000 0.000 0.206 774 K C 2.294 178.881 176.600 -0.022 0.000 1.050 774 K CA 1.468 57.745 56.287 -0.016 0.000 0.935 774 K CB -0.535 31.951 32.500 -0.025 0.000 0.715 774 K HN 0.148 nan 8.250 nan 0.000 0.439 775 M N -0.199 119.402 119.600 0.002 0.000 2.065 775 M HA -0.180 4.300 4.480 0.000 0.000 0.259 775 M C 1.858 178.164 176.300 0.009 0.000 1.069 775 M CA 1.744 57.047 55.300 0.006 0.000 1.110 775 M CB -0.268 32.346 32.600 0.024 0.000 1.328 775 M HN 0.264 nan 8.290 nan 0.000 0.405 776 L N 0.765 122.008 121.223 0.033 0.000 2.083 776 L HA -0.197 4.144 4.340 0.000 0.000 0.209 776 L C 2.366 179.262 176.870 0.043 0.000 1.083 776 L CA 1.954 56.829 54.840 0.057 0.000 0.752 776 L CB -0.779 41.339 42.059 0.098 0.000 0.899 776 L HN 0.350 nan 8.230 nan 0.000 0.433 777 K N -0.845 119.543 120.400 -0.021 0.000 2.057 777 K HA -0.197 4.123 4.320 0.000 0.000 0.207 777 K C 1.601 178.099 176.600 -0.169 0.000 1.049 777 K CA 1.770 57.914 56.287 -0.238 0.000 0.931 777 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 777 K HN 0.344 nan 8.250 nan 0.000 0.440 778 D N 0.400 120.743 120.400 -0.095 0.000 2.183 778 D HA -0.112 4.528 4.640 0.000 0.000 0.203 778 D C 1.880 178.156 176.300 -0.040 0.000 0.969 778 D CA 1.067 55.026 54.000 -0.068 0.000 0.842 778 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 778 D HN 0.305 nan 8.370 nan 0.000 0.484 779 M N -0.041 119.547 119.600 -0.021 0.000 2.117 779 M HA -0.131 4.349 4.480 0.000 0.000 0.262 779 M C 2.223 178.523 176.300 0.000 0.000 1.065 779 M CA 0.903 56.203 55.300 -0.001 0.000 1.114 779 M CB -0.069 32.541 32.600 0.016 0.000 1.361 779 M HN -0.108 nan 8.290 nan 0.000 0.408 780 V N 0.245 120.159 119.914 -0.000 0.000 2.358 780 V HA -0.213 3.908 4.120 0.000 0.000 0.246 780 V C 2.607 178.691 176.094 -0.016 0.000 1.047 780 V CA 1.885 64.190 62.300 0.008 0.000 1.035 780 V CB -1.147 30.701 31.823 0.043 0.000 0.658 780 V HN 0.513 nan 8.190 nan 0.000 0.452 781 A N -0.357 122.437 122.820 -0.045 0.000 1.933 781 A HA -0.245 4.075 4.320 0.000 0.000 0.218 781 A C 2.167 179.735 177.584 -0.026 0.000 1.175 781 A CA 1.898 53.907 52.037 -0.046 0.000 0.628 781 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 781 A HN 0.638 nan 8.150 nan 0.000 0.444 782 E N -0.424 119.764 120.200 -0.020 0.000 2.107 782 E HA -0.086 4.264 4.350 0.000 0.000 0.191 782 E C 1.838 178.436 176.600 -0.004 0.000 0.982 782 E CA 0.970 57.364 56.400 -0.010 0.000 0.809 782 E CB -0.242 29.455 29.700 -0.007 0.000 0.756 782 E HN 0.700 nan 8.360 nan 0.000 0.459 783 I N 1.210 121.779 120.570 -0.002 0.000 2.226 783 I HA -0.274 3.896 4.170 0.000 0.000 0.245 783 I C 2.444 178.561 176.117 -0.001 0.000 1.100 783 I CA 0.998 62.300 61.300 0.002 0.000 1.374 783 I CB -0.118 37.885 38.000 0.005 0.000 1.057 783 I HN -0.018 nan 8.210 nan 0.000 0.413 784 K N 1.672 122.069 120.400 -0.005 0.000 2.097 784 K HA -0.073 4.247 4.320 0.000 0.000 0.205 784 K C 2.025 178.622 176.600 -0.006 0.000 1.050 784 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 784 K CB -0.408 32.086 32.500 -0.011 0.000 0.718 784 K HN 0.254 nan 8.250 nan 0.000 0.442 785 A N 0.357 123.172 122.820 -0.007 0.000 1.978 785 A HA -0.166 4.154 4.320 0.000 0.000 0.220 785 A C 2.130 179.713 177.584 -0.002 0.000 1.170 785 A CA 2.165 54.199 52.037 -0.006 0.000 0.636 785 A CB -1.037 17.959 19.000 -0.008 0.000 0.810 785 A HN 0.555 nan 8.150 nan 0.000 0.448 786 S N -1.689 114.012 115.700 0.001 0.000 2.442 786 S HA 0.231 4.701 4.470 0.000 0.000 0.236 786 S C 1.643 176.247 174.600 0.007 0.000 1.007 786 S CA 1.483 59.686 58.200 0.005 0.000 0.965 786 S CB -0.540 62.665 63.200 0.009 0.000 0.773 786 S HN 1.988 nan 8.310 nan 0.000 0.504 787 G N 0.569 109.372 108.800 0.004 0.000 2.176 787 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 787 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 787 G C 0.256 175.160 174.900 0.007 0.000 0.986 787 G CA -0.001 45.103 45.100 0.005 0.000 0.643 787 G HN 1.365 nan 8.290 nan 0.000 0.522 788 A N 0.408 123.233 122.820 0.008 0.000 2.498 788 A HA 0.570 4.890 4.320 0.000 0.000 0.239 788 A C 1.000 178.583 177.584 -0.001 0.000 1.068 788 A CA 1.288 53.331 52.037 0.010 0.000 0.766 788 A CB 0.130 19.137 19.000 0.012 0.000 1.003 788 A HN 1.356 nan 8.150 nan 0.000 0.497 789 N N -0.355 118.343 118.700 -0.003 0.000 2.067 789 N HA 0.175 4.915 4.740 0.000 0.000 0.227 789 N C -0.902 174.587 175.510 -0.036 0.000 1.348 789 N CA 0.125 53.166 53.050 -0.016 0.000 0.879 789 N CB 0.522 39.004 38.487 -0.008 0.000 1.109 789 N HN 0.269 nan 8.380 nan 0.000 0.501 790 V N 1.518 121.411 119.914 -0.035 0.000 2.487 790 V HA 0.600 4.720 4.120 0.000 0.000 0.298 790 V C -1.353 174.669 176.094 -0.121 0.000 1.028 790 V CA -0.815 61.428 62.300 -0.094 0.000 0.860 790 V CB 1.808 33.617 31.823 -0.024 0.000 0.991 790 V HN 0.219 nan 8.190 nan 0.000 0.427 791 L N 5.541 126.593 121.223 -0.285 0.000 2.410 791 L HA 0.736 5.076 4.340 0.000 0.000 0.270 791 L C -1.572 175.036 176.870 -0.437 0.000 0.983 791 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 791 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 791 L HN 0.476 nan 8.230 nan 0.000 0.409 792 F N 4.630 124.584 119.950 0.006 0.000 2.427 792 F HA 0.486 5.013 4.527 0.000 0.000 0.348 792 F C -0.041 175.762 175.800 0.004 0.000 1.125 792 F CA -0.438 57.564 58.000 0.003 0.000 0.989 792 F CB 1.602 40.602 39.000 -0.001 0.000 1.165 792 F HN 0.507 nan 8.300 nan 0.000 0.442 793 C N 4.891 124.273 119.300 0.136 0.000 2.303 793 C HA 0.244 4.704 4.460 0.000 0.000 0.326 793 C C 1.642 176.684 174.990 0.087 0.000 1.285 793 C CA -0.404 58.667 59.018 0.088 0.000 1.675 793 C CB 0.757 28.525 27.740 0.046 0.000 2.289 793 C HN 0.965 nan 8.230 nan 0.000 0.512 794 Q N 3.396 123.238 119.800 0.070 0.000 2.124 794 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 794 Q C 0.791 176.814 176.000 0.039 0.000 0.977 794 Q CA 1.632 57.466 55.803 0.051 0.000 0.850 794 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 794 Q HN 0.758 nan 8.270 nan 0.000 0.429 795 K N -1.146 119.275 120.400 0.035 0.000 2.632 795 K HA 0.433 4.753 4.320 0.000 0.000 0.267 795 K C 0.329 176.946 176.600 0.028 0.000 1.028 795 K CA -0.203 56.101 56.287 0.028 0.000 1.045 795 K CB 0.145 32.660 32.500 0.024 0.000 1.400 795 K HN 0.114 nan 8.250 nan 0.000 0.522 796 G N 0.263 109.077 108.800 0.023 0.000 2.634 796 G HA2 0.428 4.388 3.960 0.000 0.000 0.255 796 G HA3 0.428 4.388 3.960 0.000 0.000 0.255 796 G C -0.522 174.391 174.900 0.022 0.000 1.205 796 G CA -0.513 44.600 45.100 0.021 0.000 0.884 796 G HN 0.371 nan 8.290 nan 0.000 0.549 797 I N 0.350 120.932 120.570 0.019 0.000 2.499 797 I HA 0.169 4.339 4.170 0.000 0.000 0.288 797 I C -0.584 175.546 176.117 0.021 0.000 1.048 797 I CA -0.790 60.523 61.300 0.021 0.000 1.062 797 I CB 2.151 40.160 38.000 0.016 0.000 1.238 797 I HN 0.420 nan 8.210 nan 0.000 0.426 798 D N 5.240 125.657 120.400 0.028 0.000 2.414 798 D HA -0.037 4.603 4.640 0.000 0.000 0.242 798 D C 0.631 176.945 176.300 0.024 0.000 1.129 798 D CA 0.141 54.157 54.000 0.026 0.000 0.885 798 D CB 1.320 42.141 40.800 0.035 0.000 1.198 798 D HN 0.496 nan 8.370 nan 0.000 0.437 799 D N 3.133 123.540 120.400 0.012 0.000 2.190 799 D HA -0.169 4.471 4.640 0.000 0.000 0.200 799 D C 1.911 178.208 176.300 -0.005 0.000 0.992 799 D CA 0.764 54.764 54.000 0.001 0.000 0.854 799 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 799 D HN 0.342 nan 8.370 nan 0.000 0.462 800 L N 1.005 122.226 121.223 -0.003 0.000 2.056 800 L HA -0.075 4.266 4.340 0.000 0.000 0.207 800 L C 2.524 179.422 176.870 0.046 0.000 1.078 800 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 800 L CB -1.067 41.009 42.059 0.028 0.000 0.901 800 L HN -0.051 nan 8.230 nan 0.000 0.433 801 A N -1.334 121.551 122.820 0.108 0.000 1.930 801 A HA -0.225 4.095 4.320 0.000 0.000 0.217 801 A C 2.213 179.862 177.584 0.107 0.000 1.175 801 A CA 1.324 53.453 52.037 0.155 0.000 0.627 801 A CB -0.432 18.630 19.000 0.105 0.000 0.815 801 A HN 0.525 nan 8.150 nan 0.000 0.443 802 Q N -1.280 118.554 119.800 0.056 0.000 2.084 802 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 802 Q C 2.156 178.169 176.000 0.022 0.000 0.978 802 Q CA 1.532 57.352 55.803 0.029 0.000 0.844 802 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 802 Q HN 0.910 nan 8.270 nan 0.000 0.426 803 H N -0.253 118.763 119.070 -0.090 0.000 2.293 803 H HA -0.163 4.393 4.556 0.000 0.000 0.300 803 H C 1.547 176.815 175.328 -0.100 0.000 1.082 803 H CA 1.588 57.545 56.048 -0.151 0.000 1.308 803 H CB -0.056 29.530 29.762 -0.295 0.000 1.375 803 H HN 0.266 nan 8.280 nan 0.000 0.495 804 Y N 0.911 121.229 120.300 0.030 0.000 2.274 804 Y HA -0.120 4.431 4.550 0.000 0.000 0.290 804 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 804 Y CA 0.636 58.718 58.100 -0.029 0.000 1.203 804 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 804 Y HN 0.155 nan 8.280 nan 0.000 0.533 805 L N -1.112 120.164 121.223 0.089 0.000 2.046 805 L HA -0.236 4.104 4.340 0.000 0.000 0.208 805 L C 2.641 179.491 176.870 -0.034 0.000 1.077 805 L CA 1.223 56.075 54.840 0.020 0.000 0.747 805 L CB -0.813 41.251 42.059 0.009 0.000 0.896 805 L HN 0.192 nan 8.230 nan 0.000 0.432 806 A N -0.447 122.325 122.820 -0.080 0.000 1.933 806 A HA -0.168 4.152 4.320 0.000 0.000 0.218 806 A C 2.249 179.759 177.584 -0.124 0.000 1.175 806 A CA 1.377 53.349 52.037 -0.108 0.000 0.628 806 A CB -0.233 18.686 19.000 -0.135 0.000 0.814 806 A HN 0.195 nan 8.150 nan 0.000 0.444 807 K N -0.044 120.252 120.400 -0.173 0.000 2.296 807 K HA -0.003 4.317 4.320 0.000 0.000 0.200 807 K C 1.150 177.725 176.600 -0.043 0.000 1.048 807 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 807 K CB -0.056 32.354 32.500 -0.150 0.000 0.754 807 K HN 0.474 nan 8.250 nan 0.000 0.466 808 E N -0.107 120.079 120.200 -0.024 0.000 2.489 808 E HA 0.023 4.373 4.350 0.000 0.000 0.193 808 E C 0.743 177.332 176.600 -0.020 0.000 1.057 808 E CA 0.353 56.746 56.400 -0.012 0.000 0.866 808 E CB 0.209 29.909 29.700 -0.002 0.000 0.916 808 E HN 0.433 nan 8.360 nan 0.000 0.500 809 G N 1.873 110.655 108.800 -0.030 0.000 2.147 809 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 809 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 809 G C 0.243 175.124 174.900 -0.031 0.000 1.005 809 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 809 G HN 0.257 nan 8.290 nan 0.000 0.515 810 I N 1.153 121.703 120.570 -0.034 0.000 2.315 810 I HA 0.442 4.612 4.170 0.000 0.000 0.291 810 I C 1.019 177.101 176.117 -0.059 0.000 1.006 810 I CA -1.143 60.133 61.300 -0.041 0.000 1.265 810 I CB 1.562 39.542 38.000 -0.033 0.000 1.387 810 I HN 0.151 nan 8.210 nan 0.000 0.475 811 V N 3.827 123.695 119.914 -0.076 0.000 2.644 811 V HA 0.937 5.057 4.120 0.000 0.000 0.295 811 V C 0.051 176.044 176.094 -0.167 0.000 1.053 811 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 811 V CB 1.264 33.029 31.823 -0.097 0.000 1.006 811 V HN 0.855 nan 8.190 nan 0.000 0.472 812 A N 3.234 125.950 122.820 -0.173 0.000 2.594 812 A HA 1.004 5.324 4.320 0.000 0.000 0.295 812 A C -0.468 177.000 177.584 -0.193 0.000 1.071 812 A CA -0.331 51.577 52.037 -0.217 0.000 0.685 812 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 812 A HN 2.449 nan 8.150 nan 0.000 0.405 813 A N 1.434 124.119 122.820 -0.224 0.000 2.398 813 A HA 0.764 5.084 4.320 0.000 0.000 0.301 813 A C -0.153 177.428 177.584 -0.005 0.000 1.041 813 A CA -0.550 51.434 52.037 -0.088 0.000 0.711 813 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 813 A HN 1.352 nan 8.150 nan 0.000 0.420 814 R N 1.691 122.201 120.500 0.016 0.000 2.608 814 R HA 0.731 5.071 4.340 0.000 0.000 0.255 814 R C -0.346 175.982 176.300 0.048 0.000 1.086 814 R CA -0.742 55.378 56.100 0.033 0.000 1.125 814 R CB 0.399 30.710 30.300 0.019 0.000 1.193 814 R HN 0.504 nan 8.270 nan 0.000 0.553 815 R N -0.944 119.582 120.500 0.043 0.000 3.516 815 R HA -0.110 4.230 4.340 0.000 0.000 0.271 815 R C -0.712 175.615 176.300 0.045 0.000 1.098 815 R CA 0.571 56.693 56.100 0.037 0.000 0.732 815 R CB -2.661 27.655 30.300 0.026 0.000 1.152 815 R HN 0.527 nan 8.270 nan 0.000 0.455 816 V N 1.509 121.463 119.914 0.067 0.000 2.572 816 V HA 0.035 4.155 4.120 0.000 0.000 0.291 816 V C 1.492 177.604 176.094 0.031 0.000 1.039 816 V CA -0.129 62.215 62.300 0.073 0.000 1.055 816 V CB 1.166 33.069 31.823 0.134 0.000 0.969 816 V HN 0.149 nan 8.190 nan 0.000 0.482 817 K N 4.139 124.545 120.400 0.010 0.000 2.489 817 K HA -0.025 4.295 4.320 0.000 0.000 0.278 817 K C 1.377 177.968 176.600 -0.015 0.000 1.000 817 K CA 0.089 56.373 56.287 -0.006 0.000 1.012 817 K CB 0.321 32.811 32.500 -0.017 0.000 0.903 817 K HN 0.710 nan 8.250 nan 0.000 0.485 818 K N 2.298 122.692 120.400 -0.010 0.000 2.113 818 K HA -0.218 4.102 4.320 0.000 0.000 0.208 818 K C 1.863 178.446 176.600 -0.028 0.000 1.047 818 K CA 2.024 58.302 56.287 -0.014 0.000 0.928 818 K CB -0.139 32.357 32.500 -0.008 0.000 0.716 818 K HN 0.619 nan 8.250 nan 0.000 0.446 819 S N 0.654 116.335 115.700 -0.031 0.000 2.368 819 S HA -0.156 4.314 4.470 0.000 0.000 0.225 819 S C 1.349 175.912 174.600 -0.062 0.000 1.030 819 S CA 1.737 59.912 58.200 -0.040 0.000 0.999 819 S CB -0.340 62.838 63.200 -0.036 0.000 0.844 819 S HN 0.372 nan 8.310 nan 0.000 0.459 820 D N 0.857 121.213 120.400 -0.074 0.000 2.144 820 D HA -0.034 4.606 4.640 0.000 0.000 0.200 820 D C 1.976 178.183 176.300 -0.155 0.000 0.978 820 D CA 0.877 54.804 54.000 -0.120 0.000 0.833 820 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 820 D HN 0.375 nan 8.370 nan 0.000 0.470 821 M N 0.476 120.013 119.600 -0.106 0.000 2.159 821 M HA -0.089 4.391 4.480 0.000 0.000 0.263 821 M C 1.882 178.132 176.300 -0.084 0.000 1.063 821 M CA 1.196 56.440 55.300 -0.093 0.000 1.110 821 M CB -0.737 31.843 32.600 -0.034 0.000 1.374 821 M HN 0.111 nan 8.290 nan 0.000 0.411 822 E N -0.003 120.157 120.200 -0.067 0.000 2.107 822 E HA -0.135 4.215 4.350 0.000 0.000 0.191 822 E C 2.012 178.571 176.600 -0.068 0.000 0.982 822 E CA 0.825 57.192 56.400 -0.054 0.000 0.809 822 E CB 0.020 29.696 29.700 -0.040 0.000 0.756 822 E HN 0.500 nan 8.360 nan 0.000 0.459 823 K N 0.534 120.881 120.400 -0.088 0.000 2.148 823 K HA -0.060 4.261 4.320 0.000 0.000 0.204 823 K C 2.108 178.638 176.600 -0.117 0.000 1.050 823 K CA 0.639 56.869 56.287 -0.095 0.000 0.942 823 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 823 K HN 0.089 nan 8.250 nan 0.000 0.446 824 L N 0.367 121.493 121.223 -0.161 0.000 2.093 824 L HA -0.148 4.192 4.340 0.000 0.000 0.208 824 L C 2.545 179.355 176.870 -0.101 0.000 1.085 824 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 824 L CB -0.492 41.370 42.059 -0.329 0.000 0.904 824 L HN 0.183 nan 8.230 nan 0.000 0.435 825 A N 0.228 123.004 122.820 -0.073 0.000 1.877 825 A HA -0.213 4.108 4.320 0.000 0.000 0.216 825 A C 2.323 179.891 177.584 -0.026 0.000 1.186 825 A CA 1.688 53.704 52.037 -0.035 0.000 0.620 825 A CB -0.301 18.684 19.000 -0.026 0.000 0.822 825 A HN 0.316 nan 8.150 nan 0.000 0.443 826 K N -0.436 119.943 120.400 -0.035 0.000 2.103 826 K HA 0.067 4.388 4.320 0.000 0.000 0.204 826 K C 2.340 178.923 176.600 -0.028 0.000 1.052 826 K CA 0.937 57.209 56.287 -0.026 0.000 0.945 826 K CB -0.257 32.224 32.500 -0.032 0.000 0.722 826 K HN 0.426 nan 8.250 nan 0.000 0.443 827 A N 1.346 124.140 122.820 -0.044 0.000 1.840 827 A HA -0.146 4.174 4.320 0.000 0.000 0.214 827 A C 2.329 179.901 177.584 -0.021 0.000 1.198 827 A CA 2.214 54.224 52.037 -0.045 0.000 0.608 827 A CB -1.099 17.865 19.000 -0.060 0.000 0.839 827 A HN 0.437 nan 8.150 nan 0.000 0.443 828 T N -4.155 110.390 114.554 -0.016 0.000 3.043 828 T HA 0.356 4.706 4.350 0.000 0.000 0.263 828 T C 1.425 176.137 174.700 0.021 0.000 1.094 828 T CA 1.245 63.351 62.100 0.009 0.000 1.127 828 T CB -0.156 68.723 68.868 0.017 0.000 0.905 828 T HN 1.853 nan 8.240 nan 0.000 0.490 829 G N 1.349 110.157 108.800 0.014 0.000 2.137 829 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 829 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 829 G C 0.220 175.131 174.900 0.020 0.000 1.002 829 G CA -0.039 45.074 45.100 0.022 0.000 0.702 829 G HN 1.175 nan 8.290 nan 0.000 0.515 830 A N -0.385 122.445 122.820 0.016 0.000 2.407 830 A HA 0.622 4.943 4.320 0.000 0.000 0.248 830 A C 0.418 178.012 177.584 0.016 0.000 1.082 830 A CA 0.375 52.426 52.037 0.023 0.000 0.785 830 A CB 0.474 19.493 19.000 0.032 0.000 1.020 830 A HN 0.774 nan 8.150 nan 0.000 0.489 831 N N 1.218 119.930 118.700 0.021 0.000 2.421 831 N HA 0.371 5.111 4.740 0.000 0.000 0.285 831 N C -0.878 174.643 175.510 0.019 0.000 1.027 831 N CA -0.364 52.696 53.050 0.017 0.000 0.918 831 N CB 1.307 39.803 38.487 0.016 0.000 1.152 831 N HN 0.281 nan 8.380 nan 0.000 0.485 832 V N 4.901 124.824 119.914 0.014 0.000 2.446 832 V HA 0.180 4.300 4.120 0.000 0.000 0.276 832 V C 0.257 176.362 176.094 0.018 0.000 1.030 832 V CA -0.086 62.224 62.300 0.016 0.000 1.033 832 V CB -0.270 31.558 31.823 0.008 0.000 0.993 832 V HN 0.514 nan 8.190 nan 0.000 0.477 833 I N 4.007 124.592 120.570 0.024 0.000 2.474 833 I HA 0.455 4.625 4.170 0.000 0.000 0.294 833 I C 0.976 177.106 176.117 0.022 0.000 1.005 833 I CA -0.375 60.938 61.300 0.022 0.000 1.113 833 I CB 1.479 39.493 38.000 0.023 0.000 1.289 833 I HN 0.602 nan 8.210 nan 0.000 0.436 834 A N 5.481 128.312 122.820 0.018 0.000 1.840 834 A HA 0.361 4.681 4.320 0.000 0.000 0.214 834 A C 1.109 178.704 177.584 0.018 0.000 1.198 834 A CA 1.111 53.158 52.037 0.017 0.000 0.608 834 A CB -0.154 18.854 19.000 0.014 0.000 0.839 834 A HN 0.732 nan 8.150 nan 0.000 0.443 835 A N -1.101 121.729 122.820 0.017 0.000 2.312 835 A HA 0.651 4.972 4.320 0.000 0.000 0.328 835 A C 0.823 178.417 177.584 0.016 0.000 1.158 835 A CA -0.571 51.476 52.037 0.016 0.000 0.821 835 A CB 0.401 19.409 19.000 0.013 0.000 1.170 835 A HN 0.347 nan 8.150 nan 0.000 0.490 836 I N 1.482 122.062 120.570 0.016 0.000 2.226 836 I HA -0.287 3.883 4.170 0.000 0.000 0.245 836 I C 2.779 178.903 176.117 0.012 0.000 1.100 836 I CA 1.750 63.059 61.300 0.015 0.000 1.374 836 I CB -0.270 37.739 38.000 0.015 0.000 1.057 836 I HN 0.760 nan 8.210 nan 0.000 0.413 837 A N 0.727 123.553 122.820 0.010 0.000 1.978 837 A HA -0.182 4.138 4.320 0.000 0.000 0.220 837 A C 2.447 180.035 177.584 0.008 0.000 1.170 837 A CA 1.866 53.907 52.037 0.007 0.000 0.636 837 A CB -0.714 18.289 19.000 0.006 0.000 0.810 837 A HN 0.457 nan 8.150 nan 0.000 0.448 838 A N -0.743 122.083 122.820 0.010 0.000 2.168 838 A HA 0.308 4.628 4.320 0.000 0.000 0.215 838 A C 0.991 178.582 177.584 0.011 0.000 1.152 838 A CA -0.024 52.019 52.037 0.010 0.000 0.716 838 A CB -0.466 18.541 19.000 0.011 0.000 0.794 838 A HN 0.460 nan 8.150 nan 0.000 0.465 839 L N 1.457 122.688 121.223 0.013 0.000 2.490 839 L HA 0.213 4.554 4.340 0.000 0.000 0.274 839 L C 0.667 177.544 176.870 0.011 0.000 1.201 839 L CA 0.252 55.100 54.840 0.014 0.000 0.869 839 L CB 0.569 42.637 42.059 0.015 0.000 1.123 839 L HN 0.491 nan 8.230 nan 0.000 0.484 840 S N 1.209 116.916 115.700 0.013 0.000 2.625 840 S HA 0.569 5.040 4.470 0.000 0.000 0.271 840 S C 0.357 174.965 174.600 0.013 0.000 1.161 840 S CA -0.291 57.915 58.200 0.011 0.000 0.820 840 S CB 1.520 64.726 63.200 0.009 0.000 1.137 840 S HN 0.601 nan 8.310 nan 0.000 0.470 841 A N 0.571 123.397 122.820 0.011 0.000 1.978 841 A HA -0.134 4.186 4.320 0.000 0.000 0.220 841 A C 2.057 179.650 177.584 0.014 0.000 1.170 841 A CA 2.024 54.069 52.037 0.013 0.000 0.636 841 A CB -1.111 17.895 19.000 0.010 0.000 0.810 841 A HN 0.901 nan 8.150 nan 0.000 0.448 842 Q N -0.795 119.012 119.800 0.012 0.000 2.369 842 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 842 Q C 0.533 176.542 176.000 0.015 0.000 0.963 842 Q CA 1.292 57.102 55.803 0.013 0.000 0.894 842 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 842 Q HN 0.610 nan 8.270 nan 0.000 0.475 843 D N -0.147 120.263 120.400 0.017 0.000 2.354 843 D HA 0.079 4.719 4.640 0.000 0.000 0.209 843 D C 0.122 176.437 176.300 0.025 0.000 1.015 843 D CA 0.212 54.223 54.000 0.019 0.000 0.867 843 D CB 0.392 41.203 40.800 0.019 0.000 0.933 843 D HN 0.272 nan 8.370 nan 0.000 0.520 844 L N 0.705 121.944 121.223 0.027 0.000 2.395 844 L HA 0.397 4.738 4.340 0.000 0.000 0.269 844 L C 1.193 178.084 176.870 0.034 0.000 1.133 844 L CA -0.503 54.358 54.840 0.034 0.000 0.812 844 L CB 1.206 43.284 42.059 0.032 0.000 1.125 844 L HN -0.138 nan 8.230 nan 0.000 0.452 845 G N 0.530 109.356 108.800 0.043 0.000 2.491 845 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 845 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 845 G C -1.341 173.586 174.900 0.046 0.000 1.189 845 G CA -0.424 44.701 45.100 0.041 0.000 0.956 845 G HN 0.519 nan 8.290 nan 0.000 0.491 846 D N -0.327 120.098 120.400 0.042 0.000 2.362 846 D HA 0.657 5.297 4.640 0.000 0.000 0.247 846 D C -0.269 176.058 176.300 0.046 0.000 1.050 846 D CA 0.058 54.084 54.000 0.043 0.000 0.839 846 D CB 1.978 42.801 40.800 0.037 0.000 1.283 846 D HN 0.590 nan 8.370 nan 0.000 0.477 847 A N 0.425 123.276 122.820 0.051 0.000 2.486 847 A HA 0.649 4.969 4.320 0.000 0.000 0.300 847 A C 1.001 178.615 177.584 0.049 0.000 1.048 847 A CA -0.407 51.662 52.037 0.053 0.000 0.696 847 A CB 1.669 20.712 19.000 0.071 0.000 1.278 847 A HN 0.487 nan 8.150 nan 0.000 0.405 848 G N 0.180 109.007 108.800 0.044 0.000 2.402 848 G HA2 0.311 4.271 3.960 0.000 0.000 0.216 848 G HA3 0.311 4.271 3.960 0.000 0.000 0.216 848 G C 0.279 175.203 174.900 0.040 0.000 1.162 848 G CA 1.660 46.783 45.100 0.038 0.000 0.777 848 G HN 1.178 nan 8.290 nan 0.000 0.539 849 L N -0.155 121.099 121.223 0.051 0.000 2.493 849 L HA 0.639 4.979 4.340 0.000 0.000 0.265 849 L C -1.412 175.508 176.870 0.083 0.000 0.954 849 L CA -0.800 54.073 54.840 0.055 0.000 0.844 849 L CB 2.545 44.630 42.059 0.043 0.000 1.302 849 L HN -0.133 nan 8.230 nan 0.000 0.405 850 V N 4.219 124.183 119.914 0.084 0.000 2.407 850 V HA 0.638 4.758 4.120 0.000 0.000 0.291 850 V C -0.534 175.618 176.094 0.096 0.000 1.018 850 V CA -0.440 61.929 62.300 0.114 0.000 0.842 850 V CB 1.456 33.347 31.823 0.114 0.000 0.996 850 V HN 0.827 nan 8.190 nan 0.000 0.426 851 E N 3.187 123.467 120.200 0.133 0.000 2.292 851 E HA 0.412 4.762 4.350 0.000 0.000 0.272 851 E C -1.039 175.657 176.600 0.160 0.000 0.881 851 E CA -0.656 55.805 56.400 0.101 0.000 0.754 851 E CB 2.193 31.921 29.700 0.047 0.000 1.201 851 E HN 0.751 nan 8.360 nan 0.000 0.425 852 E N 4.315 124.579 120.200 0.108 0.000 2.130 852 E HA 0.261 4.611 4.350 0.000 0.000 0.284 852 E C -0.898 175.761 176.600 0.097 0.000 1.018 852 E CA -0.286 56.189 56.400 0.125 0.000 0.817 852 E CB 0.698 30.441 29.700 0.072 0.000 1.078 852 E HN 0.354 nan 8.360 nan 0.000 0.396 853 R N 3.428 124.023 120.500 0.158 0.000 2.807 853 R HA 0.380 4.721 4.340 0.000 0.000 0.276 853 R C -0.740 175.630 176.300 0.118 0.000 0.979 853 R CA -0.964 55.177 56.100 0.070 0.000 0.928 853 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 853 R HN 0.321 nan 8.270 nan 0.000 0.471 854 K N 2.490 122.924 120.400 0.056 0.000 2.262 854 K HA 0.335 4.655 4.320 0.000 0.000 0.282 854 K C -0.482 176.158 176.600 0.066 0.000 1.066 854 K CA -0.328 55.996 56.287 0.061 0.000 0.901 854 K CB 0.792 33.311 32.500 0.031 0.000 1.089 854 K HN 0.255 nan 8.250 nan 0.000 0.476 855 I N 2.524 123.155 120.570 0.100 0.000 2.359 855 I HA 0.051 4.221 4.170 0.000 0.000 0.284 855 I C 0.699 176.853 176.117 0.061 0.000 1.018 855 I CA -0.178 61.182 61.300 0.101 0.000 1.173 855 I CB 0.655 38.760 38.000 0.175 0.000 1.326 855 I HN 0.727 nan 8.210 nan 0.000 0.462 856 S N 4.550 120.274 115.700 0.041 0.000 3.635 856 S HA -0.212 4.258 4.470 0.000 0.000 0.328 856 S C 1.389 176.002 174.600 0.022 0.000 1.135 856 S CA 1.543 59.758 58.200 0.025 0.000 0.942 856 S CB -1.046 62.167 63.200 0.022 0.000 0.930 856 S HN 1.472 nan 8.310 nan 0.000 0.512 857 G N -0.048 108.767 108.800 0.025 0.000 2.363 857 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 857 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 857 G C -0.295 174.622 174.900 0.028 0.000 1.062 857 G CA 0.306 45.419 45.100 0.022 0.000 0.629 857 G HN 0.686 nan 8.290 nan 0.000 0.514 858 D N 1.893 122.313 120.400 0.032 0.000 2.425 858 D HA 0.460 5.100 4.640 0.000 0.000 0.247 858 D C 1.020 177.352 176.300 0.053 0.000 1.147 858 D CA 0.823 54.844 54.000 0.034 0.000 0.879 858 D CB 1.275 42.091 40.800 0.027 0.000 1.179 858 D HN 0.652 nan 8.370 nan 0.000 0.456 859 S N 2.390 118.119 115.700 0.048 0.000 2.488 859 S HA 0.461 4.931 4.470 0.000 0.000 0.278 859 S C 0.129 174.771 174.600 0.070 0.000 1.259 859 S CA -0.610 57.628 58.200 0.063 0.000 1.061 859 S CB 0.502 63.730 63.200 0.046 0.000 0.910 859 S HN 0.365 nan 8.310 nan 0.000 0.491 860 M N 2.901 122.570 119.600 0.115 0.000 2.550 860 M HA 0.517 4.997 4.480 0.000 0.000 0.292 860 M C -1.094 175.297 176.300 0.150 0.000 1.221 860 M CA -0.576 54.775 55.300 0.084 0.000 0.873 860 M CB 2.283 34.907 32.600 0.040 0.000 1.727 860 M HN 0.548 nan 8.290 nan 0.000 0.459 861 I N 1.783 122.386 120.570 0.056 0.000 2.362 861 I HA 0.367 4.537 4.170 0.000 0.000 0.289 861 I C -1.332 174.795 176.117 0.017 0.000 0.994 861 I CA -0.388 60.995 61.300 0.140 0.000 1.158 861 I CB 1.064 39.170 38.000 0.177 0.000 1.315 861 I HN 0.467 nan 8.210 nan 0.000 0.451 862 F N 6.115 126.102 119.950 0.062 0.000 2.334 862 F HA 0.333 4.860 4.527 0.000 0.000 0.367 862 F C 0.130 175.965 175.800 0.060 0.000 1.115 862 F CA -0.677 57.351 58.000 0.046 0.000 1.116 862 F CB 1.226 40.243 39.000 0.028 0.000 1.230 862 F HN 0.037 nan 8.300 nan 0.000 0.484 863 V N 4.651 124.655 119.914 0.149 0.000 2.304 863 V HA 0.315 4.435 4.120 0.000 0.000 0.269 863 V C -0.136 176.013 176.094 0.092 0.000 1.036 863 V CA -0.516 61.858 62.300 0.124 0.000 0.840 863 V CB 0.344 32.217 31.823 0.084 0.000 1.036 863 V HN 0.793 nan 8.190 nan 0.000 0.466 864 E N 3.160 123.424 120.200 0.107 0.000 2.423 864 E HA 0.608 4.959 4.350 0.000 0.000 0.269 864 E C -0.727 175.909 176.600 0.060 0.000 0.948 864 E CA -0.856 55.596 56.400 0.086 0.000 0.802 864 E CB 1.568 31.338 29.700 0.117 0.000 1.339 864 E HN 0.206 nan 8.360 nan 0.000 0.445 865 E N -0.792 119.434 120.200 0.045 0.000 2.416 865 E HA -0.150 4.200 4.350 0.000 0.000 0.249 865 E C -0.726 175.894 176.600 0.032 0.000 1.124 865 E CA 0.569 56.989 56.400 0.034 0.000 0.732 865 E CB -2.289 27.431 29.700 0.034 0.000 1.286 865 E HN 0.567 nan 8.360 nan 0.000 0.394 866 C N 0.637 119.952 119.300 0.026 0.000 2.676 866 C HA 0.068 4.528 4.460 0.000 0.000 0.416 866 C C 2.282 177.291 174.990 0.031 0.000 1.299 866 C CA -0.158 58.875 59.018 0.024 0.000 2.048 866 C CB 0.452 28.195 27.740 0.006 0.000 2.713 866 C HN 0.410 nan 8.230 nan 0.000 0.624 867 K N 0.627 121.055 120.400 0.047 0.000 1.969 867 K HA -0.145 4.175 4.320 0.000 0.000 0.216 867 K C 0.601 177.270 176.600 0.115 0.000 1.048 867 K CA 1.712 58.041 56.287 0.070 0.000 0.948 867 K CB -0.124 32.418 32.500 0.070 0.000 0.726 867 K HN 0.749 nan 8.250 nan 0.000 0.442 868 H N 0.623 119.697 119.070 0.006 0.000 2.569 868 H HA 0.217 4.773 4.556 0.000 0.000 0.247 868 H C -2.675 172.653 175.328 0.001 0.000 1.346 868 H CA -2.320 53.731 56.048 0.004 0.000 1.502 868 H CB 0.539 30.302 29.762 0.003 0.000 1.512 868 H HN -0.020 nan 8.280 nan 0.000 0.502 869 P HA 0.075 nan 4.420 nan 0.000 0.271 869 P C 0.317 177.478 177.300 -0.232 0.000 1.220 869 P CA -0.265 62.747 63.100 -0.148 0.000 0.768 869 P CB 1.669 33.310 31.700 -0.099 0.000 0.848 870 K N 1.617 121.938 120.400 -0.131 0.000 2.374 870 K HA 0.316 4.636 4.320 0.000 0.000 0.196 870 K C -0.040 176.515 176.600 -0.075 0.000 1.023 870 K CA -0.080 56.146 56.287 -0.102 0.000 1.103 870 K CB 0.362 32.839 32.500 -0.037 0.000 0.848 870 K HN 0.576 nan 8.250 nan 0.000 0.528 871 A N 0.956 123.731 122.820 -0.075 0.000 2.427 871 A HA 0.528 4.848 4.320 0.000 0.000 0.298 871 A C -0.941 176.604 177.584 -0.065 0.000 1.036 871 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 871 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 871 A HN 0.042 nan 8.150 nan 0.000 0.412 872 V N -0.796 119.084 119.914 -0.057 0.000 3.074 872 V HA 0.969 5.089 4.120 0.000 0.000 0.314 872 V C -0.428 175.637 176.094 -0.049 0.000 1.117 872 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 872 V CB 1.722 33.520 31.823 -0.041 0.000 1.057 872 V HN 0.826 nan 8.190 nan 0.000 0.438 873 T N 3.974 118.501 114.554 -0.045 0.000 2.841 873 T HA 0.552 4.902 4.350 0.000 0.000 0.285 873 T C -0.572 174.109 174.700 -0.032 0.000 0.991 873 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 873 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 873 T HN 0.956 nan 8.240 nan 0.000 0.438 874 M N 4.625 124.209 119.600 -0.028 0.000 2.101 874 M HA 0.544 5.024 4.480 0.000 0.000 0.340 874 M C -1.419 174.875 176.300 -0.010 0.000 1.057 874 M CA -1.087 54.208 55.300 -0.009 0.000 0.984 874 M CB 0.562 33.157 32.600 -0.008 0.000 1.560 874 M HN 0.484 nan 8.290 nan 0.000 0.435 875 L N 7.060 128.290 121.223 0.013 0.000 2.257 875 L HA 0.518 4.858 4.340 0.000 0.000 0.290 875 L C -1.386 175.502 176.870 0.030 0.000 1.044 875 L CA -0.034 54.819 54.840 0.022 0.000 0.810 875 L CB 0.807 42.908 42.059 0.071 0.000 1.193 875 L HN 0.674 nan 8.230 nan 0.000 0.425 876 I N 5.965 126.545 120.570 0.017 0.000 2.331 876 I HA 0.481 4.651 4.170 0.000 0.000 0.292 876 I C 0.162 176.293 176.117 0.022 0.000 0.998 876 I CA -0.074 61.236 61.300 0.017 0.000 1.267 876 I CB 0.687 38.692 38.000 0.009 0.000 1.386 876 I HN 0.522 nan 8.210 nan 0.000 0.476 877 R N 3.995 124.509 120.500 0.024 0.000 2.873 877 R HA 0.944 5.284 4.340 0.000 0.000 0.264 877 R C -0.232 176.079 176.300 0.019 0.000 1.026 877 R CA -1.153 54.961 56.100 0.024 0.000 1.002 877 R CB 1.798 32.114 30.300 0.028 0.000 1.174 877 R HN 0.821 nan 8.270 nan 0.000 0.488 878 G N -0.871 107.939 108.800 0.017 0.000 2.340 878 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 878 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 878 G C -0.009 174.900 174.900 0.015 0.000 1.498 878 G CA -0.560 44.550 45.100 0.017 0.000 0.847 878 G HN 0.303 nan 8.290 nan 0.000 0.594 879 T N 0.372 114.936 114.554 0.017 0.000 2.915 879 T HA 0.200 4.550 4.350 0.000 0.000 0.269 879 T C 0.865 175.574 174.700 0.015 0.000 1.071 879 T CA 2.027 64.136 62.100 0.016 0.000 1.132 879 T CB -0.162 68.717 68.868 0.019 0.000 0.878 879 T HN 0.666 nan 8.240 nan 0.000 0.479 880 T N -0.172 114.392 114.554 0.017 0.000 2.853 880 T HA 0.280 4.630 4.350 0.000 0.000 0.311 880 T C 0.604 175.297 174.700 -0.012 0.000 1.307 880 T CA -0.746 61.359 62.100 0.009 0.000 1.019 880 T CB 2.550 71.441 68.868 0.038 0.000 1.264 880 T HN -0.081 nan 8.240 nan 0.000 0.497 881 E N 0.799 120.955 120.200 -0.073 0.000 2.086 881 E HA -0.256 4.094 4.350 0.000 0.000 0.200 881 E C 1.543 178.061 176.600 -0.136 0.000 1.012 881 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 881 E CB -0.127 29.418 29.700 -0.258 0.000 0.743 881 E HN 0.626 nan 8.360 nan 0.000 0.453 882 H N -0.936 118.137 119.070 0.004 0.000 2.495 882 H HA 0.014 4.570 4.556 0.000 0.000 0.287 882 H C 2.122 177.452 175.328 0.004 0.000 1.033 882 H CA 1.212 57.261 56.048 0.003 0.000 1.307 882 H CB -0.009 29.754 29.762 0.002 0.000 1.401 882 H HN 0.120 nan 8.280 nan 0.000 0.555 883 V N 2.033 122.013 119.914 0.109 0.000 2.283 883 V HA -0.211 3.909 4.120 0.000 0.000 0.243 883 V C 2.673 178.793 176.094 0.043 0.000 1.039 883 V CA 1.744 64.083 62.300 0.064 0.000 1.016 883 V CB -0.570 31.280 31.823 0.046 0.000 0.650 883 V HN 0.408 nan 8.190 nan 0.000 0.449 884 I N -1.017 119.568 120.570 0.026 0.000 2.614 884 I HA -0.161 4.009 4.170 0.000 0.000 0.258 884 I C 2.256 178.382 176.117 0.016 0.000 1.189 884 I CA 1.904 63.213 61.300 0.015 0.000 1.462 884 I CB -0.519 37.483 38.000 0.003 0.000 1.092 884 I HN 0.427 nan 8.210 nan 0.000 0.442 885 E N 1.863 122.078 120.200 0.025 0.000 2.047 885 E HA -0.293 4.057 4.350 0.000 0.000 0.191 885 E C 2.210 178.834 176.600 0.040 0.000 0.987 885 E CA 1.386 57.807 56.400 0.035 0.000 0.799 885 E CB -0.100 29.642 29.700 0.069 0.000 0.752 885 E HN 0.681 nan 8.360 nan 0.000 0.449 886 E N -0.173 120.056 120.200 0.049 0.000 2.106 886 E HA -0.146 4.204 4.350 0.000 0.000 0.192 886 E C 2.069 178.684 176.600 0.025 0.000 0.984 886 E CA 1.092 57.514 56.400 0.036 0.000 0.806 886 E CB 0.245 29.968 29.700 0.037 0.000 0.750 886 E HN 0.168 nan 8.360 nan 0.000 0.458 887 V N 1.037 120.965 119.914 0.024 0.000 2.379 887 V HA -0.209 3.912 4.120 0.000 0.000 0.245 887 V C 2.427 178.529 176.094 0.013 0.000 1.044 887 V CA 1.629 63.941 62.300 0.018 0.000 1.036 887 V CB -0.652 31.182 31.823 0.018 0.000 0.664 887 V HN 0.408 nan 8.190 nan 0.000 0.453 888 A N 0.549 123.376 122.820 0.011 0.000 1.908 888 A HA -0.292 4.028 4.320 0.000 0.000 0.218 888 A C 2.304 179.891 177.584 0.005 0.000 1.181 888 A CA 2.370 54.410 52.037 0.005 0.000 0.627 888 A CB -0.537 18.464 19.000 0.002 0.000 0.818 888 A HN 0.481 nan 8.150 nan 0.000 0.445 889 R N 0.083 120.589 120.500 0.010 0.000 2.075 889 R HA 0.009 4.350 4.340 0.000 0.000 0.232 889 R C 2.152 178.457 176.300 0.008 0.000 1.126 889 R CA 1.921 58.026 56.100 0.009 0.000 0.963 889 R CB -0.842 29.465 30.300 0.012 0.000 0.858 889 R HN 0.377 nan 8.270 nan 0.000 0.435 890 A N 0.200 123.026 122.820 0.011 0.000 1.877 890 A HA -0.122 4.198 4.320 0.000 0.000 0.216 890 A C 2.240 179.829 177.584 0.008 0.000 1.186 890 A CA 1.982 54.026 52.037 0.011 0.000 0.620 890 A CB -0.952 18.057 19.000 0.015 0.000 0.822 890 A HN 0.332 nan 8.150 nan 0.000 0.443 891 V N -2.322 117.596 119.914 0.007 0.000 2.871 891 V HA -0.130 3.990 4.120 0.000 0.000 0.256 891 V C 1.926 178.021 176.094 0.001 0.000 1.082 891 V CA 2.059 64.361 62.300 0.004 0.000 1.105 891 V CB -0.709 31.116 31.823 0.003 0.000 0.713 891 V HN 0.543 nan 8.190 nan 0.000 0.473 892 D N 1.525 121.925 120.400 0.000 0.000 2.123 892 D HA -0.258 4.382 4.640 0.000 0.000 0.196 892 D C 1.602 177.901 176.300 -0.001 0.000 0.992 892 D CA 2.261 56.260 54.000 -0.002 0.000 0.833 892 D CB -0.068 40.731 40.800 -0.002 0.000 0.954 892 D HN 0.612 nan 8.370 nan 0.000 0.455 893 D N -0.034 120.367 120.400 0.002 0.000 2.149 893 D HA -0.017 4.624 4.640 0.000 0.000 0.201 893 D C 2.013 178.314 176.300 0.003 0.000 0.972 893 D CA 1.202 55.204 54.000 0.003 0.000 0.835 893 D CB -0.239 40.563 40.800 0.005 0.000 0.966 893 D HN 0.239 nan 8.370 nan 0.000 0.476 894 A N 0.408 123.230 122.820 0.004 0.000 1.933 894 A HA -0.144 4.176 4.320 0.000 0.000 0.218 894 A C 2.335 179.919 177.584 0.001 0.000 1.175 894 A CA 1.065 53.104 52.037 0.004 0.000 0.628 894 A CB -0.789 18.214 19.000 0.004 0.000 0.814 894 A HN 0.149 nan 8.150 nan 0.000 0.444 895 V N -0.074 119.839 119.914 -0.001 0.000 2.343 895 V HA -0.183 3.937 4.120 0.000 0.000 0.247 895 V C 2.806 178.898 176.094 -0.003 0.000 1.051 895 V CA 1.889 64.187 62.300 -0.004 0.000 1.036 895 V CB -1.437 30.382 31.823 -0.007 0.000 0.654 895 V HN 0.618 nan 8.190 nan 0.000 0.451 896 G N 0.548 109.347 108.800 -0.002 0.000 2.446 896 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 896 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 896 G C 1.694 176.594 174.900 0.000 0.000 1.168 896 G CA 1.672 46.772 45.100 -0.001 0.000 0.771 896 G HN 0.604 nan 8.290 nan 0.000 0.551 897 V N -1.723 118.192 119.914 0.001 0.000 2.788 897 V HA 0.069 4.189 4.120 0.000 0.000 0.251 897 V C 2.566 178.662 176.094 0.002 0.000 1.068 897 V CA 1.170 63.471 62.300 0.003 0.000 1.090 897 V CB -0.181 31.644 31.823 0.004 0.000 0.710 897 V HN 0.123 nan 8.190 nan 0.000 0.467 898 V N 1.846 121.761 119.914 0.001 0.000 2.719 898 V HA 0.077 4.197 4.120 0.000 0.000 0.252 898 V C 2.783 178.877 176.094 -0.000 0.000 1.065 898 V CA 1.857 64.158 62.300 0.001 0.000 1.086 898 V CB -0.818 31.004 31.823 -0.001 0.000 0.700 898 V HN 0.616 nan 8.190 nan 0.000 0.467 899 G N -1.236 107.564 108.800 -0.001 0.000 2.421 899 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 899 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 899 G C 1.682 176.582 174.900 0.000 0.000 1.143 899 G CA 1.156 46.255 45.100 -0.001 0.000 0.784 899 G HN 0.527 nan 8.290 nan 0.000 0.541 900 C N 0.620 119.920 119.300 0.001 0.000 2.429 900 C HA -0.013 4.447 4.460 0.000 0.000 0.277 900 C C 3.184 178.175 174.990 0.002 0.000 1.262 900 C CA 1.514 60.533 59.018 0.002 0.000 1.733 900 C CB -0.922 26.820 27.740 0.002 0.000 2.010 900 C HN 0.414 nan 8.230 nan 0.000 0.483 901 T N 1.031 115.586 114.554 0.003 0.000 2.915 901 T HA -0.004 4.346 4.350 0.000 0.000 0.269 901 T C 1.574 176.276 174.700 0.003 0.000 1.071 901 T CA 1.060 63.162 62.100 0.003 0.000 1.132 901 T CB -0.191 68.678 68.868 0.003 0.000 0.878 901 T HN 0.504 nan 8.240 nan 0.000 0.479 902 I N 0.526 121.097 120.570 0.003 0.000 2.333 902 I HA -0.039 4.131 4.170 0.000 0.000 0.246 902 I C 2.548 178.667 176.117 0.003 0.000 1.106 902 I CA 1.115 62.417 61.300 0.003 0.000 1.411 902 I CB -0.161 37.840 38.000 0.003 0.000 1.082 902 I HN 0.244 nan 8.210 nan 0.000 0.420 903 E N -0.078 120.123 120.200 0.003 0.000 2.072 903 E HA -0.142 4.208 4.350 0.000 0.000 0.190 903 E C 0.508 177.110 176.600 0.003 0.000 0.982 903 E CA 0.720 57.122 56.400 0.003 0.000 0.803 903 E CB 0.244 29.946 29.700 0.003 0.000 0.755 903 E HN 0.191 nan 8.360 nan 0.000 0.453 904 D N -0.583 119.818 120.400 0.003 0.000 2.454 904 D HA 0.126 4.766 4.640 0.000 0.000 0.247 904 D C -0.077 176.225 176.300 0.003 0.000 1.129 904 D CA -0.301 53.701 54.000 0.003 0.000 0.877 904 D CB 1.347 42.149 40.800 0.003 0.000 1.082 904 D HN 0.088 nan 8.370 nan 0.000 0.537 905 G N 3.210 112.012 108.800 0.003 0.000 3.332 905 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 905 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 905 G C 0.476 175.378 174.900 0.004 0.000 1.276 905 G CA -0.179 44.923 45.100 0.003 0.000 0.988 905 G HN 0.204 nan 8.290 nan 0.000 0.517 906 R N -0.342 120.160 120.500 0.004 0.000 2.562 906 R HA 0.658 4.998 4.340 0.000 0.000 0.298 906 R C -0.319 175.984 176.300 0.005 0.000 0.961 906 R CA -0.639 55.464 56.100 0.005 0.000 0.881 906 R CB 1.659 31.962 30.300 0.004 0.000 1.159 906 R HN 0.294 nan 8.270 nan 0.000 0.450 907 I N -0.918 119.656 120.570 0.007 0.000 3.145 907 I HA 0.859 5.029 4.170 0.000 0.000 0.313 907 I C -0.668 175.455 176.117 0.010 0.000 1.122 907 I CA -1.254 60.050 61.300 0.008 0.000 0.987 907 I CB 2.249 40.254 38.000 0.008 0.000 1.236 907 I HN 0.336 nan 8.210 nan 0.000 0.453 908 V N -0.255 119.666 119.914 0.013 0.000 3.049 908 V HA 0.826 4.946 4.120 0.000 0.000 0.309 908 V C 0.018 176.124 176.094 0.021 0.000 1.148 908 V CA -0.380 61.931 62.300 0.017 0.000 0.990 908 V CB 1.023 32.857 31.823 0.018 0.000 1.039 908 V HN 1.178 nan 8.190 nan 0.000 0.430 909 S N 1.952 117.669 115.700 0.028 0.000 2.576 909 S HA 0.705 5.175 4.470 0.000 0.000 0.276 909 S C 0.573 175.192 174.600 0.031 0.000 1.339 909 S CA 0.177 58.397 58.200 0.032 0.000 1.039 909 S CB 1.014 64.239 63.200 0.041 0.000 0.902 909 S HN 1.826 nan 8.310 nan 0.000 0.516 910 G N 0.146 108.965 108.800 0.031 0.000 2.630 910 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 910 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 910 G C 0.925 175.842 174.900 0.028 0.000 1.434 910 G CA -0.513 44.603 45.100 0.027 0.000 1.057 910 G HN 2.055 nan 8.290 nan 0.000 0.570 911 G N -2.050 106.765 108.800 0.025 0.000 2.153 911 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 911 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 911 G C 1.525 176.423 174.900 -0.003 0.000 0.994 911 G CA 1.156 46.268 45.100 0.020 0.000 0.698 911 G HN 2.470 nan 8.290 nan 0.000 0.521 912 G N -1.158 107.632 108.800 -0.017 0.000 2.168 912 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 912 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 912 G C 1.500 176.357 174.900 -0.073 0.000 0.977 912 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 912 G HN 1.982 nan 8.290 nan 0.000 0.533 913 S N 0.087 115.763 115.700 -0.040 0.000 2.382 913 S HA -0.160 4.310 4.470 0.000 0.000 0.228 913 S C 2.799 177.336 174.600 -0.105 0.000 1.027 913 S CA 2.657 60.822 58.200 -0.059 0.000 0.991 913 S CB -0.593 62.679 63.200 0.120 0.000 0.823 913 S HN 1.378 nan 8.310 nan 0.000 0.469 914 T N 0.136 114.674 114.554 -0.027 0.000 2.569 914 T HA -0.125 4.225 4.350 0.000 0.000 0.263 914 T C 1.569 176.230 174.700 -0.066 0.000 1.074 914 T CA 1.678 63.770 62.100 -0.014 0.000 1.176 914 T CB -1.071 67.794 68.868 -0.004 0.000 0.863 914 T HN 0.375 nan 8.240 nan 0.000 0.410 915 E N 0.860 121.012 120.200 -0.080 0.000 2.219 915 E HA -0.052 4.298 4.350 0.000 0.000 0.198 915 E C 2.215 178.738 176.600 -0.128 0.000 0.998 915 E CA 0.739 57.084 56.400 -0.092 0.000 0.818 915 E CB -0.728 28.915 29.700 -0.096 0.000 0.741 915 E HN 0.457 nan 8.360 nan 0.000 0.477 916 V N 0.378 120.162 119.914 -0.216 0.000 2.453 916 V HA -0.218 3.902 4.120 0.000 0.000 0.247 916 V C 2.259 178.181 176.094 -0.286 0.000 1.048 916 V CA 1.824 63.938 62.300 -0.309 0.000 1.049 916 V CB -0.364 31.144 31.823 -0.524 0.000 0.672 916 V HN 0.223 nan 8.190 nan 0.000 0.457 917 E N 0.517 120.555 120.200 -0.270 0.000 2.051 917 E HA -0.204 4.146 4.350 0.000 0.000 0.192 917 E C 1.881 178.500 176.600 0.032 0.000 0.991 917 E CA 1.448 57.883 56.400 0.059 0.000 0.799 917 E CB -0.324 29.496 29.700 0.201 0.000 0.748 917 E HN 0.368 nan 8.360 nan 0.000 0.449 918 L N 0.356 121.577 121.223 -0.003 0.000 2.093 918 L HA -0.051 4.289 4.340 0.000 0.000 0.208 918 L C 2.409 179.292 176.870 0.022 0.000 1.085 918 L CA 1.511 56.359 54.840 0.013 0.000 0.755 918 L CB -0.876 41.189 42.059 0.010 0.000 0.904 918 L HN 0.062 nan 8.230 nan 0.000 0.435 919 S N -1.096 114.599 115.700 -0.009 0.000 2.356 919 S HA -0.169 4.301 4.470 0.000 0.000 0.223 919 S C 1.983 176.601 174.600 0.029 0.000 1.032 919 S CA 1.226 59.427 58.200 0.001 0.000 1.005 919 S CB -0.182 62.995 63.200 -0.037 0.000 0.867 919 S HN 0.292 nan 8.310 nan 0.000 0.449 920 M N 0.993 120.609 119.600 0.027 0.000 2.099 920 M HA 0.008 4.488 4.480 0.000 0.000 0.262 920 M C 1.996 178.335 176.300 0.064 0.000 1.067 920 M CA 1.502 56.831 55.300 0.048 0.000 1.124 920 M CB -1.166 31.472 32.600 0.064 0.000 1.353 920 M HN 0.054 nan 8.290 nan 0.000 0.410 921 K N 0.392 120.831 120.400 0.064 0.000 2.155 921 K HA 0.073 4.393 4.320 0.000 0.000 0.203 921 K C 1.960 178.621 176.600 0.101 0.000 1.052 921 K CA 0.750 57.079 56.287 0.071 0.000 0.948 921 K CB -0.429 32.100 32.500 0.048 0.000 0.728 921 K HN 0.268 nan 8.250 nan 0.000 0.448 922 L N -0.138 121.144 121.223 0.098 0.000 2.240 922 L HA -0.057 4.283 4.340 0.000 0.000 0.211 922 L C 2.114 179.095 176.870 0.185 0.000 1.106 922 L CA 0.851 55.783 54.840 0.153 0.000 0.793 922 L CB -0.171 41.978 42.059 0.150 0.000 0.927 922 L HN 0.113 nan 8.230 nan 0.000 0.446 923 R N 0.140 120.715 120.500 0.125 0.000 2.092 923 R HA -0.148 4.192 4.340 0.000 0.000 0.231 923 R C 2.046 178.402 176.300 0.093 0.000 1.119 923 R CA 1.238 57.398 56.100 0.099 0.000 0.970 923 R CB -0.171 30.170 30.300 0.068 0.000 0.864 923 R HN 0.449 nan 8.270 nan 0.000 0.440 924 E N -0.368 119.893 120.200 0.102 0.000 2.107 924 E HA -0.200 4.150 4.350 0.000 0.000 0.191 924 E C 1.581 178.249 176.600 0.113 0.000 0.982 924 E CA 0.861 57.315 56.400 0.091 0.000 0.809 924 E CB -0.100 29.651 29.700 0.086 0.000 0.756 924 E HN 0.299 nan 8.360 nan 0.000 0.459 925 Y N 1.382 121.694 120.300 0.021 0.000 2.181 925 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 925 Y C 2.210 178.119 175.900 0.014 0.000 1.146 925 Y CA 1.303 59.411 58.100 0.014 0.000 1.164 925 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 925 Y HN -0.010 nan 8.280 nan 0.000 0.515 926 A N -0.138 122.704 122.820 0.037 0.000 1.902 926 A HA -0.226 4.095 4.320 0.000 0.000 0.217 926 A C 2.103 179.647 177.584 -0.067 0.000 1.181 926 A CA 1.887 53.908 52.037 -0.026 0.000 0.623 926 A CB -0.791 18.245 19.000 0.061 0.000 0.818 926 A HN 0.502 nan 8.150 nan 0.000 0.443 927 E N -0.051 120.129 120.200 -0.033 0.000 2.110 927 E HA -0.076 4.274 4.350 0.000 0.000 0.193 927 E C 1.932 178.491 176.600 -0.068 0.000 0.988 927 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 927 E CB -0.655 29.041 29.700 -0.005 0.000 0.745 927 E HN 0.444 nan 8.360 nan 0.000 0.458 928 G N 0.320 109.052 108.800 -0.113 0.000 2.421 928 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 928 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 928 G C 1.432 176.220 174.900 -0.187 0.000 1.143 928 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 928 G HN 0.201 nan 8.290 nan 0.000 0.541 929 I N 0.368 120.779 120.570 -0.265 0.000 2.193 929 I HA 0.005 4.175 4.170 0.000 0.000 0.240 929 I C 1.704 177.748 176.117 -0.121 0.000 1.084 929 I CA 1.085 62.244 61.300 -0.234 0.000 1.365 929 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 929 I HN 0.298 nan 8.210 nan 0.000 0.410 930 S N -1.237 114.409 115.700 -0.090 0.000 3.443 930 S HA -0.116 4.354 4.470 0.000 0.000 0.635 930 S C 0.765 175.343 174.600 -0.037 0.000 2.555 930 S CA 1.444 59.613 58.200 -0.051 0.000 2.778 930 S CB -1.357 61.816 63.200 -0.046 0.000 0.331 930 S HN 1.428 nan 8.310 nan 0.000 1.765 931 G N 1.143 109.928 108.800 -0.025 0.000 2.566 931 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 931 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 931 G C 0.349 175.245 174.900 -0.007 0.000 1.225 931 G CA 1.672 46.762 45.100 -0.017 0.000 0.966 931 G HN 1.869 nan 8.290 nan 0.000 0.560 932 R N 0.422 120.921 120.500 -0.003 0.000 2.223 932 R HA 0.321 4.662 4.340 0.000 0.000 0.198 932 R C 2.043 178.351 176.300 0.013 0.000 0.984 932 R CA 1.361 57.465 56.100 0.008 0.000 1.018 932 R CB -0.209 30.099 30.300 0.012 0.000 0.945 932 R HN 0.640 nan 8.270 nan 0.000 0.479 933 E N 2.086 122.288 120.200 0.003 0.000 2.204 933 E HA -0.258 4.093 4.350 0.000 0.000 0.195 933 E C 1.984 178.597 176.600 0.022 0.000 0.990 933 E CA 1.616 58.021 56.400 0.008 0.000 0.821 933 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 933 E HN 0.654 nan 8.360 nan 0.000 0.477 934 Q N 0.841 120.645 119.800 0.007 0.000 2.124 934 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 934 Q C 2.246 178.280 176.000 0.056 0.000 0.977 934 Q CA 1.090 56.901 55.803 0.013 0.000 0.850 934 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 934 Q HN 0.223 nan 8.270 nan 0.000 0.429 935 L N 1.211 122.467 121.223 0.056 0.000 2.083 935 L HA -0.051 4.289 4.340 0.000 0.000 0.209 935 L C 2.428 179.376 176.870 0.129 0.000 1.083 935 L CA 2.027 56.913 54.840 0.076 0.000 0.752 935 L CB -0.859 41.234 42.059 0.056 0.000 0.899 935 L HN 0.338 nan 8.230 nan 0.000 0.433 936 A N -1.346 121.558 122.820 0.141 0.000 1.902 936 A HA -0.134 4.186 4.320 0.000 0.000 0.217 936 A C 2.228 180.039 177.584 0.378 0.000 1.181 936 A CA 1.928 54.119 52.037 0.256 0.000 0.623 936 A CB -0.975 18.110 19.000 0.141 0.000 0.818 936 A HN 0.290 nan 8.150 nan 0.000 0.443 937 V N -0.124 119.934 119.914 0.238 0.000 2.453 937 V HA -0.213 3.907 4.120 0.000 0.000 0.247 937 V C 2.582 178.811 176.094 0.224 0.000 1.048 937 V CA 1.999 64.435 62.300 0.227 0.000 1.049 937 V CB -0.813 31.118 31.823 0.180 0.000 0.672 937 V HN 0.508 nan 8.190 nan 0.000 0.457 938 R N 0.385 120.985 120.500 0.168 0.000 2.081 938 R HA -0.087 4.253 4.340 0.000 0.000 0.235 938 R C 2.444 178.821 176.300 0.128 0.000 1.131 938 R CA 1.492 57.669 56.100 0.128 0.000 0.960 938 R CB -0.566 29.788 30.300 0.089 0.000 0.856 938 R HN 0.520 nan 8.270 nan 0.000 0.436 939 A N 0.564 123.481 122.820 0.163 0.000 1.930 939 A HA -0.161 4.159 4.320 0.000 0.000 0.217 939 A C 1.941 179.578 177.584 0.088 0.000 1.175 939 A CA 0.888 53.011 52.037 0.144 0.000 0.627 939 A CB -0.557 18.573 19.000 0.216 0.000 0.815 939 A HN 0.341 nan 8.150 nan 0.000 0.443 940 F N 0.916 120.836 119.950 -0.051 0.000 2.102 940 F HA -0.087 4.440 4.527 0.000 0.000 0.298 940 F C 2.537 178.253 175.800 -0.141 0.000 1.105 940 F CA 1.334 59.176 58.000 -0.264 0.000 1.239 940 F CB -0.264 38.550 39.000 -0.311 0.000 0.991 940 F HN 0.255 nan 8.300 nan 0.000 0.474 941 A N -0.159 122.754 122.820 0.155 0.000 1.877 941 A HA -0.198 4.122 4.320 0.000 0.000 0.216 941 A C 1.933 179.498 177.584 -0.031 0.000 1.186 941 A CA 2.028 54.112 52.037 0.077 0.000 0.620 941 A CB -0.981 18.088 19.000 0.116 0.000 0.822 941 A HN 0.419 nan 8.150 nan 0.000 0.443 942 D N -0.112 120.275 120.400 -0.021 0.000 2.178 942 D HA 0.025 4.665 4.640 0.000 0.000 0.202 942 D C 2.155 178.402 176.300 -0.089 0.000 0.974 942 D CA 1.262 55.239 54.000 -0.039 0.000 0.841 942 D CB -0.328 40.467 40.800 -0.008 0.000 0.953 942 D HN 0.418 nan 8.370 nan 0.000 0.478 943 A N 0.427 123.158 122.820 -0.148 0.000 1.972 943 A HA -0.126 4.194 4.320 0.000 0.000 0.219 943 A C 1.994 179.440 177.584 -0.230 0.000 1.169 943 A CA 0.772 52.687 52.037 -0.204 0.000 0.635 943 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 943 A HN 0.151 nan 8.150 nan 0.000 0.446 944 L N 0.364 121.428 121.223 -0.265 0.000 2.353 944 L HA -0.110 4.230 4.340 0.000 0.000 0.220 944 L C 2.001 178.786 176.870 -0.143 0.000 1.133 944 L CA 1.338 56.045 54.840 -0.222 0.000 0.798 944 L CB -0.583 41.354 42.059 -0.204 0.000 0.922 944 L HN 0.393 nan 8.230 nan 0.000 0.445 945 E N -1.013 119.117 120.200 -0.117 0.000 2.409 945 E HA -0.136 4.214 4.350 0.000 0.000 0.198 945 E C 2.337 178.889 176.600 -0.081 0.000 1.024 945 E CA 0.664 57.011 56.400 -0.088 0.000 0.861 945 E CB -0.402 29.257 29.700 -0.068 0.000 0.788 945 E HN 0.352 nan 8.360 nan 0.000 0.521 946 V N 1.284 121.143 119.914 -0.092 0.000 2.568 946 V HA -0.231 3.889 4.120 0.000 0.000 0.253 946 V C 1.890 177.941 176.094 -0.070 0.000 1.072 946 V CA 1.024 63.277 62.300 -0.077 0.000 1.084 946 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 946 V HN 0.127 nan 8.190 nan 0.000 0.469 947 I N 1.363 121.887 120.570 -0.077 0.000 2.133 947 I HA -0.051 4.119 4.170 0.000 0.000 0.238 947 I C 0.228 176.310 176.117 -0.058 0.000 1.074 947 I CA 1.789 63.049 61.300 -0.067 0.000 1.342 947 I CB -2.911 35.048 38.000 -0.070 0.000 1.053 947 I HN 0.348 nan 8.210 nan 0.000 0.404 948 P HA -0.145 nan 4.420 nan 0.000 0.221 948 P C 1.750 179.022 177.300 -0.047 0.000 1.150 948 P CA 1.389 64.459 63.100 -0.051 0.000 0.800 948 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 949 R N -0.054 120.417 120.500 -0.049 0.000 2.066 949 R HA -0.050 4.290 4.340 0.000 0.000 0.232 949 R C 1.979 178.253 176.300 -0.043 0.000 1.131 949 R CA 1.916 57.990 56.100 -0.043 0.000 0.955 949 R CB -0.691 29.583 30.300 -0.043 0.000 0.851 949 R HN 0.052 nan 8.270 nan 0.000 0.432 950 T N 1.330 115.856 114.554 -0.047 0.000 2.942 950 T HA 0.016 4.366 4.350 0.000 0.000 0.265 950 T C 1.774 176.444 174.700 -0.050 0.000 1.062 950 T CA 0.760 62.833 62.100 -0.046 0.000 1.139 950 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 950 T HN 0.142 nan 8.240 nan 0.000 0.468 951 L N 0.919 122.110 121.223 -0.054 0.000 2.042 951 L HA -0.136 4.204 4.340 0.000 0.000 0.210 951 L C 3.003 179.832 176.870 -0.067 0.000 1.076 951 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 951 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 951 L HN 0.250 nan 8.230 nan 0.000 0.432 952 A N -0.510 122.277 122.820 -0.055 0.000 1.929 952 A HA -0.184 4.136 4.320 0.000 0.000 0.216 952 A C 2.169 179.724 177.584 -0.049 0.000 1.176 952 A CA 1.333 53.339 52.037 -0.051 0.000 0.628 952 A CB -0.358 18.618 19.000 -0.040 0.000 0.816 952 A HN 0.415 nan 8.150 nan 0.000 0.444 953 E N 0.037 120.210 120.200 -0.044 0.000 2.058 953 E HA -0.194 4.157 4.350 0.000 0.000 0.194 953 E C 1.644 178.218 176.600 -0.044 0.000 0.997 953 E CA 1.297 57.674 56.400 -0.040 0.000 0.801 953 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 953 E HN 0.530 nan 8.360 nan 0.000 0.450 954 N N 0.287 118.956 118.700 -0.052 0.000 2.244 954 N HA -0.085 4.655 4.740 0.000 0.000 0.183 954 N C 1.451 176.918 175.510 -0.071 0.000 1.016 954 N CA 1.059 54.075 53.050 -0.058 0.000 0.866 954 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 954 N HN 0.109 nan 8.380 nan 0.000 0.430 955 A N -0.022 122.749 122.820 -0.082 0.000 2.067 955 A HA 0.320 4.640 4.320 0.000 0.000 0.217 955 A C 1.464 179.008 177.584 -0.066 0.000 1.156 955 A CA 1.060 53.040 52.037 -0.096 0.000 0.683 955 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 955 A HN 0.310 nan 8.150 nan 0.000 0.455 956 G N -1.148 107.621 108.800 -0.051 0.000 2.171 956 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 956 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 956 G C -0.060 174.821 174.900 -0.031 0.000 1.039 956 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 956 G HN 0.447 nan 8.290 nan 0.000 0.501 957 L N -0.092 121.110 121.223 -0.034 0.000 2.375 957 L HA 0.484 4.824 4.340 0.000 0.000 0.268 957 L C 0.477 177.334 176.870 -0.023 0.000 1.058 957 L CA -1.075 53.749 54.840 -0.027 0.000 0.803 957 L CB 0.931 42.972 42.059 -0.031 0.000 1.212 957 L HN 0.112 nan 8.230 nan 0.000 0.451 958 D N 1.054 121.444 120.400 -0.017 0.000 2.342 958 D HA 0.118 4.758 4.640 0.000 0.000 0.260 958 D C 0.739 177.030 176.300 -0.016 0.000 1.278 958 D CA 0.118 54.109 54.000 -0.014 0.000 0.910 958 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 958 D HN 0.632 nan 8.370 nan 0.000 0.496 959 A N 5.460 128.269 122.820 -0.018 0.000 1.908 959 A HA -0.196 4.124 4.320 0.000 0.000 0.218 959 A C 2.158 179.732 177.584 -0.016 0.000 1.181 959 A CA 0.864 52.889 52.037 -0.020 0.000 0.627 959 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 959 A HN 0.704 nan 8.150 nan 0.000 0.445 960 I N -0.164 120.398 120.570 -0.013 0.000 2.179 960 I HA -0.212 3.958 4.170 0.000 0.000 0.242 960 I C 2.452 178.564 176.117 -0.007 0.000 1.088 960 I CA 1.867 63.161 61.300 -0.010 0.000 1.357 960 I CB -1.462 36.533 38.000 -0.007 0.000 1.051 960 I HN 0.601 nan 8.210 nan 0.000 0.409 961 E N 1.485 121.681 120.200 -0.006 0.000 2.051 961 E HA -0.229 4.121 4.350 0.000 0.000 0.192 961 E C 2.342 178.941 176.600 -0.002 0.000 0.991 961 E CA 1.801 58.199 56.400 -0.003 0.000 0.799 961 E CB -0.110 29.588 29.700 -0.003 0.000 0.748 961 E HN 0.610 nan 8.360 nan 0.000 0.449 962 I N -1.415 119.152 120.570 -0.005 0.000 2.439 962 I HA -0.163 4.007 4.170 0.000 0.000 0.251 962 I C 2.226 178.339 176.117 -0.006 0.000 1.139 962 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 962 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 962 I HN 0.073 nan 8.210 nan 0.000 0.427 963 L N 0.779 121.996 121.223 -0.010 0.000 2.093 963 L HA -0.110 4.230 4.340 0.000 0.000 0.208 963 L C 2.681 179.548 176.870 -0.005 0.000 1.085 963 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 963 L CB -0.404 41.645 42.059 -0.017 0.000 0.904 963 L HN 0.168 nan 8.230 nan 0.000 0.435 964 V N -0.267 119.647 119.914 -0.001 0.000 2.323 964 V HA -0.231 3.889 4.120 0.000 0.000 0.244 964 V C 2.377 178.478 176.094 0.012 0.000 1.041 964 V CA 1.650 63.953 62.300 0.005 0.000 1.025 964 V CB -0.381 31.445 31.823 0.005 0.000 0.656 964 V HN 0.384 nan 8.190 nan 0.000 0.451 965 K N -0.369 120.038 120.400 0.011 0.000 2.103 965 K HA -0.047 4.273 4.320 0.000 0.000 0.204 965 K C 2.046 178.662 176.600 0.027 0.000 1.052 965 K CA 1.004 57.301 56.287 0.017 0.000 0.945 965 K CB -0.186 32.322 32.500 0.013 0.000 0.722 965 K HN 0.292 nan 8.250 nan 0.000 0.443 966 V N 1.185 121.113 119.914 0.023 0.000 2.323 966 V HA -0.175 3.945 4.120 0.000 0.000 0.244 966 V C 2.356 178.484 176.094 0.057 0.000 1.041 966 V CA 1.460 63.781 62.300 0.035 0.000 1.025 966 V CB -0.394 31.436 31.823 0.012 0.000 0.656 966 V HN 0.270 nan 8.190 nan 0.000 0.451 967 R N 0.093 120.611 120.500 0.030 0.000 2.081 967 R HA -0.164 4.176 4.340 0.000 0.000 0.235 967 R C 2.292 178.640 176.300 0.080 0.000 1.131 967 R CA 1.720 57.842 56.100 0.037 0.000 0.960 967 R CB -0.411 29.894 30.300 0.009 0.000 0.856 967 R HN 0.500 nan 8.270 nan 0.000 0.436 968 A N 0.495 123.348 122.820 0.055 0.000 1.873 968 A HA -0.050 4.270 4.320 0.000 0.000 0.215 968 A C 2.316 179.933 177.584 0.054 0.000 1.186 968 A CA 1.538 53.605 52.037 0.049 0.000 0.616 968 A CB -0.755 18.264 19.000 0.031 0.000 0.823 968 A HN 0.506 nan 8.150 nan 0.000 0.442 969 A N -0.984 121.870 122.820 0.056 0.000 1.933 969 A HA -0.149 4.171 4.320 0.000 0.000 0.218 969 A C 1.984 179.600 177.584 0.053 0.000 1.175 969 A CA 2.073 54.137 52.037 0.046 0.000 0.628 969 A CB -0.848 18.177 19.000 0.042 0.000 0.814 969 A HN 0.806 nan 8.150 nan 0.000 0.444 970 H N -0.113 118.960 119.070 0.005 0.000 2.293 970 H HA 0.049 4.605 4.556 0.000 0.000 0.300 970 H C 2.180 177.511 175.328 0.005 0.000 1.082 970 H CA 2.063 58.114 56.048 0.005 0.000 1.308 970 H CB -0.246 29.518 29.762 0.004 0.000 1.375 970 H HN 0.367 nan 8.280 nan 0.000 0.495 971 A N -0.541 122.335 122.820 0.094 0.000 1.940 971 A HA -0.187 4.133 4.320 0.000 0.000 0.219 971 A C 2.582 180.147 177.584 -0.032 0.000 1.176 971 A CA 2.009 54.073 52.037 0.045 0.000 0.631 971 A CB -1.065 17.987 19.000 0.088 0.000 0.814 971 A HN 0.529 nan 8.150 nan 0.000 0.446 972 S N -0.492 115.194 115.700 -0.024 0.000 2.341 972 S HA -0.087 4.383 4.470 0.000 0.000 0.216 972 S C 1.859 176.428 174.600 -0.051 0.000 1.034 972 S CA 1.062 59.246 58.200 -0.027 0.000 0.964 972 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 972 S HN 0.598 nan 8.310 nan 0.000 0.469 973 N N 1.160 119.825 118.700 -0.058 0.000 2.396 973 N HA 0.215 4.955 4.740 0.000 0.000 0.180 973 N C 1.074 176.522 175.510 -0.103 0.000 1.028 973 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 973 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 973 N HN 0.623 nan 8.380 nan 0.000 0.440 974 G N 0.362 109.042 108.800 -0.200 0.000 2.396 974 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 974 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 974 G C 0.013 174.670 174.900 -0.406 0.000 1.248 974 G CA 0.041 44.981 45.100 -0.268 0.000 1.033 974 G HN 0.252 nan 8.290 nan 0.000 0.502 975 N N -0.479 118.080 118.700 -0.234 0.000 2.414 975 N HA 0.028 4.768 4.740 0.000 0.000 0.177 975 N C 1.503 177.018 175.510 0.008 0.000 1.062 975 N CA 0.753 53.767 53.050 -0.060 0.000 0.890 975 N CB 0.037 38.555 38.487 0.052 0.000 1.070 975 N HN 0.296 nan 8.380 nan 0.000 0.454 976 K N 0.004 120.392 120.400 -0.019 0.000 2.404 976 K HA 0.156 4.476 4.320 0.000 0.000 0.194 976 K C -0.249 176.348 176.600 -0.005 0.000 1.023 976 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 976 K CB 0.034 32.530 32.500 -0.007 0.000 0.841 976 K HN 0.093 nan 8.250 nan 0.000 0.523 977 C N 0.159 119.450 119.300 -0.015 0.000 3.517 977 C HA 0.820 5.280 4.460 0.000 0.000 0.202 977 C C -0.263 174.727 174.990 0.000 0.000 1.370 977 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 977 C CB -1.398 26.327 27.740 -0.024 0.000 1.840 977 C HN 0.450 nan 8.230 nan 0.000 0.525 978 A N 1.291 124.134 122.820 0.037 0.000 5.650 978 A HA 0.955 5.275 4.320 0.000 0.000 0.194 978 A C 0.426 178.058 177.584 0.080 0.000 0.895 978 A CA 0.472 52.554 52.037 0.075 0.000 0.804 978 A CB -0.379 18.711 19.000 0.151 0.000 2.103 978 A HN 2.341 nan 8.150 nan 0.000 1.022 979 G N -1.865 106.997 108.800 0.104 0.000 2.846 979 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 979 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 979 G C -0.625 174.303 174.900 0.045 0.000 1.464 979 G CA 0.043 45.181 45.100 0.064 0.000 0.891 979 G HN 2.104 nan 8.290 nan 0.000 0.552 980 L N 0.920 122.160 121.223 0.029 0.000 2.289 980 L HA 0.620 4.960 4.340 0.000 0.000 0.285 980 L C 0.522 177.414 176.870 0.037 0.000 1.049 980 L CA -0.771 54.083 54.840 0.023 0.000 0.804 980 L CB 1.402 43.462 42.059 0.001 0.000 1.195 980 L HN 0.731 nan 8.230 nan 0.000 0.428 981 N N 4.065 122.796 118.700 0.051 0.000 2.485 981 N HA 0.125 4.865 4.740 0.000 0.000 0.243 981 N C 0.907 176.452 175.510 0.058 0.000 0.987 981 N CA -0.154 52.952 53.050 0.094 0.000 0.940 981 N CB 1.403 39.960 38.487 0.117 0.000 1.122 981 N HN 0.713 nan 8.380 nan 0.000 0.509 982 V N 2.083 121.991 119.914 -0.010 0.000 2.970 982 V HA -0.041 4.079 4.120 0.000 0.000 0.260 982 V C 1.411 177.401 176.094 -0.173 0.000 1.100 982 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 982 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 982 V HN 0.475 nan 8.190 nan 0.000 0.483 983 F N 2.473 122.422 119.950 -0.002 0.000 2.259 983 F HA -0.021 4.506 4.527 0.000 0.000 0.298 983 F C 2.660 178.459 175.800 -0.001 0.000 1.088 983 F CA 1.780 59.779 58.000 -0.002 0.000 1.358 983 F CB -0.335 38.664 39.000 -0.001 0.000 1.040 983 F HN 0.377 nan 8.300 nan 0.000 0.505 984 T N -4.102 110.554 114.554 0.170 0.000 3.001 984 T HA 0.375 4.725 4.350 0.000 0.000 0.251 984 T C 1.483 176.211 174.700 0.048 0.000 1.040 984 T CA 0.415 62.570 62.100 0.092 0.000 0.985 984 T CB 0.325 69.239 68.868 0.076 0.000 1.011 984 T HN 0.343 nan 8.240 nan 0.000 0.509 985 G N 1.099 109.919 108.800 0.033 0.000 2.248 985 G HA2 0.273 4.234 3.960 0.000 0.000 0.263 985 G HA3 0.273 4.234 3.960 0.000 0.000 0.263 985 G C 0.060 174.966 174.900 0.010 0.000 1.082 985 G CA -0.226 44.877 45.100 0.005 0.000 0.863 985 G HN 1.424 nan 8.290 nan 0.000 0.495 986 A N -1.661 121.171 122.820 0.020 0.000 2.608 986 A HA 0.880 5.201 4.320 0.000 0.000 0.292 986 A C 0.034 177.634 177.584 0.026 0.000 1.066 986 A CA 0.129 52.178 52.037 0.019 0.000 0.676 986 A CB 1.389 20.401 19.000 0.021 0.000 1.277 986 A HN 1.802 nan 8.150 nan 0.000 0.413 987 V N 1.669 121.597 119.914 0.023 0.000 2.673 987 V HA 0.407 4.527 4.120 0.000 0.000 0.303 987 V C 0.020 176.133 176.094 0.032 0.000 1.046 987 V CA 1.024 63.342 62.300 0.029 0.000 1.126 987 V CB 0.444 32.285 31.823 0.029 0.000 0.934 987 V HN 0.914 nan 8.190 nan 0.000 0.487 988 E N 3.825 124.048 120.200 0.038 0.000 2.359 988 E HA 0.372 4.722 4.350 0.000 0.000 0.223 988 E C -1.476 175.145 176.600 0.035 0.000 0.877 988 E CA -0.654 55.767 56.400 0.035 0.000 0.887 988 E CB 0.828 30.553 29.700 0.041 0.000 1.890 988 E HN 0.707 nan 8.360 nan 0.000 0.419 989 D N 1.235 121.653 120.400 0.029 0.000 2.472 989 D HA 0.193 4.833 4.640 0.000 0.000 0.234 989 D C 0.832 177.149 176.300 0.028 0.000 1.088 989 D CA -0.274 53.742 54.000 0.025 0.000 0.882 989 D CB 0.580 41.389 40.800 0.015 0.000 1.037 989 D HN 0.186 nan 8.370 nan 0.000 0.520 990 M N 1.749 121.371 119.600 0.037 0.000 2.117 990 M HA -0.142 4.338 4.480 0.000 0.000 0.262 990 M C 2.310 178.626 176.300 0.027 0.000 1.065 990 M CA 0.818 56.142 55.300 0.039 0.000 1.114 990 M CB -1.158 31.470 32.600 0.047 0.000 1.361 990 M HN 0.549 nan 8.290 nan 0.000 0.408 991 C N 0.603 119.917 119.300 0.023 0.000 2.432 991 C HA -0.185 4.275 4.460 0.000 0.000 0.277 991 C C 2.732 177.726 174.990 0.008 0.000 1.249 991 C CA 1.621 60.648 59.018 0.015 0.000 1.725 991 C CB -0.871 26.877 27.740 0.013 0.000 2.028 991 C HN 0.600 nan 8.230 nan 0.000 0.477 992 E N 1.120 121.324 120.200 0.007 0.000 2.110 992 E HA -0.139 4.211 4.350 0.000 0.000 0.193 992 E C 1.609 178.207 176.600 -0.002 0.000 0.988 992 E CA 1.567 57.968 56.400 0.001 0.000 0.804 992 E CB -0.420 29.281 29.700 0.002 0.000 0.745 992 E HN 0.624 nan 8.360 nan 0.000 0.458 993 N N -0.335 118.365 118.700 0.000 0.000 2.461 993 N HA 0.055 4.795 4.740 0.000 0.000 0.188 993 N C 0.623 176.124 175.510 -0.015 0.000 1.134 993 N CA 0.944 53.989 53.050 -0.009 0.000 0.878 993 N CB 0.553 39.039 38.487 -0.002 0.000 0.972 993 N HN 0.319 nan 8.380 nan 0.000 0.456 994 G N -0.083 108.713 108.800 -0.006 0.000 2.153 994 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 994 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 994 G C -0.050 174.851 174.900 0.001 0.000 0.994 994 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 994 G HN 0.207 nan 8.290 nan 0.000 0.521 995 V N 1.464 121.386 119.914 0.013 0.000 2.222 995 V HA 0.487 4.607 4.120 0.000 0.000 0.253 995 V C 0.787 176.898 176.094 0.028 0.000 1.210 995 V CA 0.121 62.438 62.300 0.030 0.000 1.079 995 V CB 0.461 32.315 31.823 0.052 0.000 1.265 995 V HN 1.046 nan 8.190 nan 0.000 0.494 996 V N 1.563 121.490 119.914 0.021 0.000 2.876 996 V HA 0.900 5.020 4.120 0.000 0.000 0.312 996 V C -0.631 175.473 176.094 0.017 0.000 1.085 996 V CA -0.712 61.600 62.300 0.019 0.000 0.945 996 V CB 2.490 34.321 31.823 0.014 0.000 1.017 996 V HN 0.657 nan 8.190 nan 0.000 0.428 997 E N 2.366 122.575 120.200 0.015 0.000 2.336 997 E HA 0.654 5.004 4.350 0.000 0.000 0.267 997 E C -3.233 173.372 176.600 0.010 0.000 0.906 997 E CA -2.432 53.975 56.400 0.012 0.000 0.781 997 E CB 2.090 31.797 29.700 0.012 0.000 1.261 997 E HN 0.464 nan 8.360 nan 0.000 0.436 998 P HA -0.027 nan 4.420 nan 0.000 0.266 998 P C 0.892 178.196 177.300 0.006 0.000 1.195 998 P CA -0.303 62.801 63.100 0.006 0.000 0.768 998 P CB 0.444 32.147 31.700 0.005 0.000 0.838 999 L N 4.029 125.255 121.223 0.006 0.000 2.079 999 L HA -0.205 4.135 4.340 0.000 0.000 0.210 999 L C 2.088 178.961 176.870 0.004 0.000 1.081 999 L CA 1.947 56.790 54.840 0.006 0.000 0.752 999 L CB -0.617 41.445 42.059 0.005 0.000 0.896 999 L HN 0.242 nan 8.230 nan 0.000 0.433 1000 R N -0.531 119.971 120.500 0.004 0.000 2.117 1000 R HA -0.130 4.210 4.340 0.000 0.000 0.243 1000 R C 2.231 178.533 176.300 0.003 0.000 1.143 1000 R CA 1.560 57.662 56.100 0.004 0.000 0.968 1000 R CB -1.367 28.935 30.300 0.003 0.000 0.863 1000 R HN 0.389 nan 8.270 nan 0.000 0.444 1001 V N 1.653 121.569 119.914 0.003 0.000 2.287 1001 V HA -0.239 3.881 4.120 0.000 0.000 0.248 1001 V C 2.393 178.487 176.094 -0.001 0.000 1.053 1001 V CA 1.754 64.055 62.300 0.001 0.000 1.027 1001 V CB -0.300 31.524 31.823 0.002 0.000 0.646 1001 V HN 0.212 nan 8.190 nan 0.000 0.447 1002 K N -0.716 119.684 120.400 -0.000 0.000 2.137 1002 K HA -0.038 4.282 4.320 0.000 0.000 0.202 1002 K C 2.291 178.892 176.600 0.001 0.000 1.052 1002 K CA 1.500 57.786 56.287 -0.002 0.000 0.961 1002 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 1002 K HN 0.458 nan 8.250 nan 0.000 0.452 1003 T N 0.715 115.272 114.554 0.004 0.000 2.942 1003 T HA -0.119 4.231 4.350 0.000 0.000 0.265 1003 T C 1.824 176.529 174.700 0.009 0.000 1.062 1003 T CA 1.207 63.312 62.100 0.007 0.000 1.139 1003 T CB 0.174 69.045 68.868 0.006 0.000 0.883 1003 T HN 0.071 nan 8.240 nan 0.000 0.468 1004 Q N 0.638 120.442 119.800 0.007 0.000 2.137 1004 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 1004 Q C 2.210 178.214 176.000 0.008 0.000 0.960 1004 Q CA 1.534 57.341 55.803 0.008 0.000 0.847 1004 Q CB -0.687 28.054 28.738 0.005 0.000 0.915 1004 Q HN 0.514 nan 8.270 nan 0.000 0.448 1005 A N 0.747 123.568 122.820 0.003 0.000 1.865 1005 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1005 A C 1.932 179.518 177.584 0.004 0.000 1.191 1005 A CA 1.626 53.662 52.037 -0.002 0.000 0.623 1005 A CB -0.761 18.232 19.000 -0.011 0.000 0.826 1005 A HN 0.450 nan 8.150 nan 0.000 0.444 1006 I N -0.243 120.334 120.570 0.011 0.000 2.315 1006 I HA -0.190 3.980 4.170 0.000 0.000 0.248 1006 I C 2.658 178.807 176.117 0.053 0.000 1.117 1006 I CA 1.196 62.518 61.300 0.037 0.000 1.404 1006 I CB -1.355 36.674 38.000 0.048 0.000 1.071 1006 I HN 0.396 nan 8.210 nan 0.000 0.419 1007 Q N 0.537 120.358 119.800 0.035 0.000 1.965 1007 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 1007 Q C 2.485 178.507 176.000 0.037 0.000 0.981 1007 Q CA 1.764 57.587 55.803 0.033 0.000 0.834 1007 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 1007 Q HN 0.372 nan 8.270 nan 0.000 0.426 1008 S N 0.986 116.702 115.700 0.027 0.000 2.368 1008 S HA -0.117 4.354 4.470 0.000 0.000 0.225 1008 S C 1.951 176.571 174.600 0.033 0.000 1.030 1008 S CA 1.050 59.266 58.200 0.026 0.000 0.999 1008 S CB -0.235 62.975 63.200 0.017 0.000 0.844 1008 S HN 0.492 nan 8.310 nan 0.000 0.459 1009 A N 1.566 124.404 122.820 0.031 0.000 1.873 1009 A HA 0.136 4.456 4.320 0.000 0.000 0.215 1009 A C 2.362 179.986 177.584 0.066 0.000 1.186 1009 A CA 1.678 53.734 52.037 0.032 0.000 0.616 1009 A CB -1.118 17.886 19.000 0.006 0.000 0.823 1009 A HN 0.509 nan 8.150 nan 0.000 0.442 1010 A N -0.617 122.260 122.820 0.096 0.000 1.902 1010 A HA -0.131 4.189 4.320 0.000 0.000 0.217 1010 A C 1.991 179.657 177.584 0.137 0.000 1.181 1010 A CA 1.707 53.842 52.037 0.163 0.000 0.623 1010 A CB -0.375 18.736 19.000 0.186 0.000 0.818 1010 A HN 0.449 nan 8.150 nan 0.000 0.443 1011 E N -0.501 119.753 120.200 0.089 0.000 2.072 1011 E HA -0.088 4.262 4.350 0.000 0.000 0.190 1011 E C 2.310 178.949 176.600 0.065 0.000 0.982 1011 E CA 1.235 57.677 56.400 0.070 0.000 0.803 1011 E CB -0.489 29.240 29.700 0.047 0.000 0.755 1011 E HN 0.519 nan 8.360 nan 0.000 0.453 1012 S N -0.115 115.619 115.700 0.058 0.000 2.387 1012 S HA -0.083 4.387 4.470 0.000 0.000 0.226 1012 S C 1.998 176.633 174.600 0.059 0.000 1.026 1012 S CA 1.432 59.661 58.200 0.048 0.000 0.972 1012 S CB -0.107 63.115 63.200 0.036 0.000 0.814 1012 S HN 0.194 nan 8.310 nan 0.000 0.477 1013 T N 1.506 116.109 114.554 0.082 0.000 2.708 1013 T HA -0.094 4.256 4.350 0.000 0.000 0.266 1013 T C 1.750 176.533 174.700 0.137 0.000 1.037 1013 T CA 1.581 63.747 62.100 0.111 0.000 1.146 1013 T CB -0.371 68.581 68.868 0.141 0.000 0.865 1013 T HN 0.578 nan 8.240 nan 0.000 0.435 1014 E N 0.519 120.815 120.200 0.159 0.000 2.106 1014 E HA -0.113 4.237 4.350 0.000 0.000 0.192 1014 E C 2.216 178.854 176.600 0.064 0.000 0.984 1014 E CA 0.783 57.261 56.400 0.131 0.000 0.806 1014 E CB -0.183 29.600 29.700 0.139 0.000 0.750 1014 E HN 0.471 nan 8.360 nan 0.000 0.458 1015 M N 0.192 119.826 119.600 0.057 0.000 2.086 1015 M HA -0.196 4.284 4.480 0.000 0.000 0.261 1015 M C 1.791 178.106 176.300 0.025 0.000 1.067 1015 M CA 1.236 56.557 55.300 0.035 0.000 1.116 1015 M CB -0.005 32.615 32.600 0.033 0.000 1.348 1015 M HN 0.186 nan 8.290 nan 0.000 0.407 1016 L N 0.792 122.032 121.223 0.029 0.000 2.042 1016 L HA -0.173 4.167 4.340 0.000 0.000 0.210 1016 L C 2.239 179.113 176.870 0.006 0.000 1.076 1016 L CA 1.750 56.599 54.840 0.016 0.000 0.749 1016 L CB -1.071 41.000 42.059 0.020 0.000 0.893 1016 L HN 0.401 nan 8.230 nan 0.000 0.432 1017 L N -1.468 119.763 121.223 0.013 0.000 2.201 1017 L HA -0.153 4.187 4.340 0.000 0.000 0.212 1017 L C 2.481 179.337 176.870 -0.023 0.000 1.105 1017 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 1017 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 1017 L HN 0.214 nan 8.230 nan 0.000 0.440 1018 R N -0.075 120.421 120.500 -0.006 0.000 2.193 1018 R HA 0.102 4.442 4.340 0.000 0.000 0.213 1018 R C 0.536 176.835 176.300 -0.003 0.000 1.055 1018 R CA 0.317 56.415 56.100 -0.003 0.000 0.995 1018 R CB -0.042 30.263 30.300 0.008 0.000 0.893 1018 R HN 0.254 nan 8.270 nan 0.000 0.459 1019 I N 2.578 123.146 120.570 -0.003 0.000 2.471 1019 I HA -0.047 4.123 4.170 0.000 0.000 0.286 1019 I C 0.408 176.520 176.117 -0.009 0.000 1.079 1019 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 1019 I CB 0.992 38.990 38.000 -0.003 0.000 1.403 1019 I HN 0.135 nan 8.210 nan 0.000 0.530 1020 D N 2.998 123.396 120.400 -0.003 0.000 2.503 1020 D HA 0.128 4.768 4.640 0.000 0.000 0.218 1020 D C -0.287 176.019 176.300 0.011 0.000 1.183 1020 D CA -0.040 53.956 54.000 -0.005 0.000 0.827 1020 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 1020 D HN 0.354 nan 8.370 nan 0.000 0.510 1021 D N 0.058 120.471 120.400 0.022 0.000 2.688 1021 D HA 0.248 4.888 4.640 0.000 0.000 0.210 1021 D C -1.711 174.620 176.300 0.051 0.000 1.333 1021 D CA -0.471 53.552 54.000 0.039 0.000 0.920 1021 D CB 1.932 42.747 40.800 0.025 0.000 1.554 1021 D HN -0.170 nan 8.370 nan 0.000 0.579 1022 V N 4.266 124.238 119.914 0.096 0.000 2.444 1022 V HA 0.556 4.677 4.120 0.000 0.000 0.294 1022 V C -0.122 176.058 176.094 0.143 0.000 1.022 1022 V CA -0.668 61.703 62.300 0.118 0.000 0.850 1022 V CB 1.481 33.381 31.823 0.130 0.000 0.992 1022 V HN 0.431 nan 8.190 nan 0.000 0.426 1023 I N 4.574 125.198 120.570 0.089 0.000 2.390 1023 I HA 0.772 4.942 4.170 0.000 0.000 0.283 1023 I C 0.291 176.448 176.117 0.066 0.000 1.016 1023 I CA -0.054 61.282 61.300 0.060 0.000 1.151 1023 I CB 1.632 39.650 38.000 0.031 0.000 1.293 1023 I HN 0.684 nan 8.210 nan 0.000 0.458 1024 A N 4.343 127.210 122.820 0.079 0.000 2.401 1024 A HA 0.949 5.269 4.320 0.000 0.000 0.310 1024 A C -0.060 177.555 177.584 0.052 0.000 1.075 1024 A CA -0.683 51.403 52.037 0.082 0.000 0.746 1024 A CB 1.244 20.327 19.000 0.138 0.000 1.277 1024 A HN 0.748 nan 8.150 nan 0.000 0.425 1025 A N 0.744 123.591 122.820 0.044 0.000 2.448 1025 A HA 0.428 4.748 4.320 0.000 0.000 0.239 1025 A C 0.844 178.448 177.584 0.032 0.000 1.080 1025 A CA 0.014 52.068 52.037 0.029 0.000 0.779 1025 A CB -0.016 19.000 19.000 0.026 0.000 1.026 1025 A HN 0.923 nan 8.150 nan 0.000 0.499 1026 E N 0.000 120.211 120.200 0.019 0.000 2.725 1026 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1026 E CA 0.000 56.411 56.400 0.018 0.000 0.976 1026 E CB 0.000 29.705 29.700 0.008 0.000 0.812 1026 E HN 0.000 nan 8.360 nan 0.000 0.440