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 3izm_1_B DATA FIRST_RESID 514 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 514 V HA 0.000 nan 4.120 nan 0.000 0.244 514 V C 0.000 176.084 176.094 -0.017 0.000 1.182 514 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 514 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 515 L N 2.407 123.618 121.223 -0.021 0.000 2.325 515 L HA 0.621 4.961 4.340 0.000 0.000 0.278 515 L C -2.352 174.504 176.870 -0.025 0.000 1.023 515 L CA -1.586 53.239 54.840 -0.026 0.000 0.811 515 L CB 1.052 43.090 42.059 -0.035 0.000 1.249 515 L HN 0.158 nan 8.230 nan 0.000 0.431 516 P HA 0.046 nan 4.420 nan 0.000 0.265 516 P C -0.583 176.702 177.300 -0.024 0.000 1.193 516 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 516 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 517 E N 2.919 123.107 120.200 -0.020 0.000 2.376 517 E HA 0.040 4.391 4.350 0.000 0.000 0.266 517 E C 0.507 177.094 176.600 -0.020 0.000 1.009 517 E CA 0.620 57.007 56.400 -0.021 0.000 0.902 517 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 517 E HN 0.395 nan 8.360 nan 0.000 0.439 518 N N 1.952 120.637 118.700 -0.025 0.000 2.990 518 N HA -0.199 4.541 4.740 0.000 0.000 0.163 518 N C -0.159 175.330 175.510 -0.034 0.000 1.452 518 N CA 0.655 53.692 53.050 -0.022 0.000 1.624 518 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 518 N HN 0.583 nan 8.380 nan 0.000 0.695 519 M N 2.842 122.416 119.600 -0.043 0.000 2.248 519 M HA 0.066 4.546 4.480 0.000 0.000 0.345 519 M C -0.451 175.790 176.300 -0.098 0.000 1.243 519 M CA 0.666 55.929 55.300 -0.061 0.000 1.090 519 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 519 M HN -0.122 nan 8.290 nan 0.000 0.450 520 K N 5.196 125.519 120.400 -0.129 0.000 2.259 520 K HA 0.538 4.858 4.320 0.000 0.000 0.252 520 K C -1.123 175.275 176.600 -0.336 0.000 0.936 520 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 520 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 520 K HN 0.770 nan 8.250 nan 0.000 0.427 521 R N 2.143 122.332 120.500 -0.519 0.000 2.604 521 R HA 0.422 4.762 4.340 0.000 0.000 0.281 521 R C -1.484 174.465 176.300 -0.584 0.000 1.020 521 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 521 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 521 R HN 0.601 nan 8.270 nan 0.000 0.450 522 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 522 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 522 Y C 0.154 176.058 175.900 0.007 0.000 0.990 522 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 522 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 522 Y HN 0.409 nan 8.280 nan 0.000 0.461 523 M N 0.858 120.555 119.600 0.162 0.000 2.520 523 M HA 0.772 5.252 4.480 0.000 0.000 0.280 523 M C 0.052 176.394 176.300 0.070 0.000 1.232 523 M CA -0.180 55.172 55.300 0.087 0.000 0.892 523 M CB 1.226 33.853 32.600 0.046 0.000 1.728 523 M HN 0.898 nan 8.290 nan 0.000 0.475 524 G N 2.713 111.540 108.800 0.045 0.000 2.622 524 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 524 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 524 G C 0.642 175.555 174.900 0.022 0.000 1.226 524 G CA 1.333 46.448 45.100 0.024 0.000 0.997 524 G HN 1.189 nan 8.290 nan 0.000 0.551 525 R N 0.363 120.872 120.500 0.016 0.000 2.096 525 R HA -0.070 4.270 4.340 0.000 0.000 0.235 525 R C 2.155 178.467 176.300 0.020 0.000 1.127 525 R CA 2.199 58.305 56.100 0.009 0.000 0.968 525 R CB -0.405 29.898 30.300 0.005 0.000 0.861 525 R HN 0.612 nan 8.270 nan 0.000 0.440 526 D N 0.043 120.473 120.400 0.050 0.000 2.183 526 D HA -0.074 4.566 4.640 0.000 0.000 0.203 526 D C 1.700 178.034 176.300 0.056 0.000 0.969 526 D CA 1.223 55.266 54.000 0.071 0.000 0.842 526 D CB -0.060 40.834 40.800 0.156 0.000 0.957 526 D HN 0.374 nan 8.370 nan 0.000 0.484 527 A N 1.228 124.107 122.820 0.099 0.000 1.877 527 A HA -0.191 4.129 4.320 0.000 0.000 0.216 527 A C 2.155 179.759 177.584 0.034 0.000 1.186 527 A CA 1.176 53.273 52.037 0.100 0.000 0.620 527 A CB -0.361 18.706 19.000 0.111 0.000 0.822 527 A HN 0.067 nan 8.150 nan 0.000 0.443 528 Q N -0.707 119.104 119.800 0.017 0.000 2.079 528 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 528 Q C 2.266 178.250 176.000 -0.026 0.000 0.974 528 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 528 Q CB -0.380 28.353 28.738 -0.010 0.000 0.898 528 Q HN 0.758 nan 8.270 nan 0.000 0.430 529 R N -0.157 120.322 120.500 -0.035 0.000 2.066 529 R HA -0.060 4.280 4.340 0.000 0.000 0.232 529 R C 2.157 178.395 176.300 -0.103 0.000 1.131 529 R CA 1.096 57.162 56.100 -0.056 0.000 0.955 529 R CB 0.049 30.322 30.300 -0.044 0.000 0.851 529 R HN 0.135 nan 8.270 nan 0.000 0.432 530 M N 0.763 120.276 119.600 -0.145 0.000 2.229 530 M HA -0.104 4.376 4.480 0.000 0.000 0.264 530 M C 1.647 177.786 176.300 -0.268 0.000 1.063 530 M CA 1.412 56.569 55.300 -0.238 0.000 1.114 530 M CB -1.096 31.249 32.600 -0.426 0.000 1.387 530 M HN 0.293 nan 8.290 nan 0.000 0.420 531 N N 0.223 118.842 118.700 -0.135 0.000 2.171 531 N HA -0.057 4.683 4.740 0.000 0.000 0.184 531 N C 1.834 177.265 175.510 -0.132 0.000 1.021 531 N CA 1.049 54.029 53.050 -0.117 0.000 0.854 531 N CB 0.083 38.576 38.487 0.009 0.000 0.994 531 N HN 0.297 nan 8.380 nan 0.000 0.426 532 I N 0.905 121.421 120.570 -0.091 0.000 2.286 532 I HA -0.232 3.938 4.170 0.000 0.000 0.248 532 I C 1.902 177.959 176.117 -0.099 0.000 1.115 532 I CA 0.708 61.966 61.300 -0.070 0.000 1.392 532 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 532 I HN 0.076 nan 8.210 nan 0.000 0.418 533 L N 0.715 121.858 121.223 -0.133 0.000 2.005 533 L HA -0.143 4.197 4.340 0.000 0.000 0.207 533 L C 2.729 179.493 176.870 -0.175 0.000 1.072 533 L CA 2.192 56.949 54.840 -0.138 0.000 0.744 533 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 533 L HN 0.191 nan 8.230 nan 0.000 0.433 534 A N -0.579 122.065 122.820 -0.295 0.000 1.917 534 A HA -0.169 4.151 4.320 0.000 0.000 0.219 534 A C 2.398 179.870 177.584 -0.188 0.000 1.182 534 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 534 A CB -1.418 17.133 19.000 -0.750 0.000 0.819 534 A HN 0.463 nan 8.150 nan 0.000 0.448 535 G N -0.901 107.807 108.800 -0.154 0.000 2.404 535 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 535 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 535 G C 1.751 176.609 174.900 -0.071 0.000 1.174 535 G CA 1.020 46.068 45.100 -0.086 0.000 0.780 535 G HN 0.566 nan 8.290 nan 0.000 0.537 536 R N 0.015 120.470 120.500 -0.074 0.000 2.092 536 R HA 0.068 4.408 4.340 0.000 0.000 0.231 536 R C 2.542 178.806 176.300 -0.059 0.000 1.119 536 R CA 0.914 56.977 56.100 -0.061 0.000 0.970 536 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 536 R HN 0.424 nan 8.270 nan 0.000 0.440 537 I N 0.729 121.257 120.570 -0.070 0.000 2.208 537 I HA -0.311 3.859 4.170 0.000 0.000 0.245 537 I C 2.043 178.132 176.117 -0.047 0.000 1.097 537 I CA 0.922 62.186 61.300 -0.059 0.000 1.363 537 I CB -0.211 37.748 38.000 -0.070 0.000 1.051 537 I HN 0.212 nan 8.210 nan 0.000 0.413 538 I N 1.025 121.566 120.570 -0.049 0.000 2.179 538 I HA -0.276 3.894 4.170 0.000 0.000 0.242 538 I C 2.857 178.954 176.117 -0.033 0.000 1.088 538 I CA 1.767 63.046 61.300 -0.035 0.000 1.357 538 I CB -1.529 36.452 38.000 -0.032 0.000 1.051 538 I HN 0.192 nan 8.210 nan 0.000 0.409 539 A N 0.282 123.079 122.820 -0.039 0.000 1.933 539 A HA -0.186 4.134 4.320 0.000 0.000 0.218 539 A C 2.158 179.721 177.584 -0.036 0.000 1.175 539 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 539 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 539 A HN 0.369 nan 8.150 nan 0.000 0.444 540 E N -0.458 119.720 120.200 -0.037 0.000 2.106 540 E HA -0.106 4.244 4.350 0.000 0.000 0.192 540 E C 2.085 178.668 176.600 -0.029 0.000 0.984 540 E CA 1.614 57.994 56.400 -0.033 0.000 0.806 540 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 540 E HN 0.601 nan 8.360 nan 0.000 0.458 541 T N 1.046 115.584 114.554 -0.027 0.000 2.770 541 T HA -0.091 4.260 4.350 0.000 0.000 0.263 541 T C 2.124 176.812 174.700 -0.020 0.000 1.039 541 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 541 T CB -0.110 68.747 68.868 -0.018 0.000 0.868 541 T HN 0.200 nan 8.240 nan 0.000 0.435 542 V N 1.878 121.779 119.914 -0.022 0.000 2.788 542 V HA 0.050 4.170 4.120 0.000 0.000 0.251 542 V C 2.345 178.425 176.094 -0.023 0.000 1.068 542 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 542 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 542 V HN 0.464 nan 8.190 nan 0.000 0.467 543 R N 2.719 123.203 120.500 -0.028 0.000 2.193 543 R HA -0.079 4.261 4.340 0.000 0.000 0.229 543 R C 2.010 178.292 176.300 -0.030 0.000 1.110 543 R CA 1.667 57.748 56.100 -0.031 0.000 0.988 543 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 543 R HN 0.681 nan 8.270 nan 0.000 0.458 544 S N 0.187 115.870 115.700 -0.027 0.000 2.555 544 S HA -0.077 4.393 4.470 0.000 0.000 0.230 544 S C 1.695 176.279 174.600 -0.026 0.000 0.978 544 S CA 0.788 58.971 58.200 -0.027 0.000 0.934 544 S CB 0.059 63.245 63.200 -0.024 0.000 0.766 544 S HN 0.588 nan 8.310 nan 0.000 0.533 545 T N -1.168 113.371 114.554 -0.024 0.000 3.014 545 T HA 0.328 4.678 4.350 0.000 0.000 0.250 545 T C 0.392 175.078 174.700 -0.024 0.000 1.060 545 T CA -0.451 61.636 62.100 -0.021 0.000 1.040 545 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 545 T HN 0.266 nan 8.240 nan 0.000 0.497 546 L N 2.758 123.965 121.223 -0.028 0.000 2.410 546 L HA 0.557 4.897 4.340 0.000 0.000 0.273 546 L C 0.635 177.481 176.870 -0.040 0.000 1.152 546 L CA 1.556 56.379 54.840 -0.030 0.000 0.855 546 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 546 L HN 0.735 nan 8.230 nan 0.000 0.463 547 G N 3.938 112.714 108.800 -0.040 0.000 2.662 547 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 547 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 547 G C -2.147 172.706 174.900 -0.079 0.000 1.271 547 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 547 G HN 0.488 nan 8.290 nan 0.000 0.608 548 P HA -0.023 nan 4.420 nan 0.000 0.217 548 P C 1.443 178.651 177.300 -0.154 0.000 1.148 548 P CA 1.489 64.477 63.100 -0.187 0.000 0.828 548 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 549 K N -1.011 119.299 120.400 -0.150 0.000 2.397 549 K HA 0.243 4.563 4.320 0.000 0.000 0.202 549 K C 1.034 177.593 176.600 -0.069 0.000 1.022 549 K CA -0.182 56.042 56.287 -0.105 0.000 1.141 549 K CB -0.126 32.307 32.500 -0.111 0.000 0.857 549 K HN 0.040 nan 8.250 nan 0.000 0.514 550 G N 0.532 109.296 108.800 -0.061 0.000 2.527 550 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 550 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 550 G C -0.020 174.861 174.900 -0.031 0.000 1.231 550 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 550 G HN -0.054 nan 8.290 nan 0.000 0.570 551 M N 0.156 119.741 119.600 -0.026 0.000 2.531 551 M HA 0.427 4.907 4.480 0.000 0.000 0.262 551 M C -0.608 175.683 176.300 -0.015 0.000 1.168 551 M CA -0.545 54.742 55.300 -0.020 0.000 0.926 551 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 551 M HN 0.351 nan 8.290 nan 0.000 0.531 552 D N 0.330 120.722 120.400 -0.013 0.000 2.374 552 D HA 0.505 5.145 4.640 0.000 0.000 0.239 552 D C -0.625 175.668 176.300 -0.011 0.000 0.991 552 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 552 D CB 1.383 42.180 40.800 -0.005 0.000 1.284 552 D HN 0.100 nan 8.370 nan 0.000 0.512 553 K N 0.682 121.078 120.400 -0.007 0.000 2.259 553 K HA 0.503 4.823 4.320 0.000 0.000 0.249 553 K C -0.679 175.917 176.600 -0.007 0.000 0.942 553 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 553 K CB 2.321 34.818 32.500 -0.004 0.000 1.155 553 K HN 0.438 nan 8.250 nan 0.000 0.428 554 M N 3.625 123.218 119.600 -0.012 0.000 2.046 554 M HA 0.287 4.767 4.480 0.000 0.000 0.309 554 M C -1.683 174.615 176.300 -0.004 0.000 0.935 554 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 554 M CB 0.533 33.112 32.600 -0.035 0.000 1.474 554 M HN 0.348 nan 8.290 nan 0.000 0.415 555 L N 6.000 127.229 121.223 0.009 0.000 2.280 555 L HA 0.529 4.869 4.340 0.000 0.000 0.287 555 L C -0.859 176.024 176.870 0.021 0.000 1.023 555 L CA -0.331 54.517 54.840 0.013 0.000 0.819 555 L CB 1.757 43.825 42.059 0.016 0.000 1.212 555 L HN 0.408 nan 8.230 nan 0.000 0.420 556 V N 2.830 122.753 119.914 0.015 0.000 2.378 556 V HA 0.342 4.462 4.120 0.000 0.000 0.288 556 V C -0.151 175.954 176.094 0.017 0.000 1.016 556 V CA -0.959 61.353 62.300 0.019 0.000 0.840 556 V CB 1.396 33.227 31.823 0.013 0.000 0.994 556 V HN 0.798 nan 8.190 nan 0.000 0.431 557 D N 3.555 123.967 120.400 0.020 0.000 2.380 557 D HA -0.008 4.633 4.640 0.000 0.000 0.254 557 D C 1.042 177.350 176.300 0.014 0.000 1.288 557 D CA -0.219 53.791 54.000 0.017 0.000 1.008 557 D CB 0.480 41.290 40.800 0.017 0.000 1.099 557 D HN 0.562 nan 8.370 nan 0.000 0.537 558 D N -0.886 119.522 120.400 0.012 0.000 2.371 558 D HA -0.121 4.519 4.640 0.000 0.000 0.221 558 D C 1.595 177.901 176.300 0.011 0.000 0.986 558 D CA 0.494 54.500 54.000 0.011 0.000 0.899 558 D CB -0.166 40.640 40.800 0.010 0.000 0.902 558 D HN 0.390 nan 8.370 nan 0.000 0.530 559 L N -0.944 120.286 121.223 0.012 0.000 2.590 559 L HA 0.322 4.662 4.340 0.000 0.000 0.227 559 L C 1.750 178.628 176.870 0.015 0.000 1.099 559 L CA 0.494 55.341 54.840 0.012 0.000 0.872 559 L CB 0.339 42.405 42.059 0.012 0.000 1.088 559 L HN 0.287 nan 8.230 nan 0.000 0.479 560 G N -0.232 108.578 108.800 0.017 0.000 2.201 560 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 560 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 560 G C 0.061 174.980 174.900 0.030 0.000 0.994 560 G CA -0.063 45.049 45.100 0.020 0.000 0.644 560 G HN 0.305 nan 8.290 nan 0.000 0.508 561 D N 1.281 121.700 120.400 0.032 0.000 2.434 561 D HA 0.376 5.016 4.640 0.000 0.000 0.252 561 D C 0.523 176.860 176.300 0.062 0.000 1.185 561 D CA 0.241 54.267 54.000 0.044 0.000 0.886 561 D CB 1.087 41.905 40.800 0.031 0.000 1.148 561 D HN 0.230 nan 8.370 nan 0.000 0.483 562 V N 4.884 124.862 119.914 0.107 0.000 2.370 562 V HA 0.260 4.380 4.120 0.000 0.000 0.279 562 V C 0.230 176.466 176.094 0.237 0.000 1.029 562 V CA -0.833 61.547 62.300 0.134 0.000 0.870 562 V CB 1.618 33.503 31.823 0.103 0.000 0.984 562 V HN 0.327 nan 8.190 nan 0.000 0.451 563 V N 6.018 126.013 119.914 0.134 0.000 2.357 563 V HA 0.423 4.543 4.120 0.000 0.000 0.284 563 V C -0.162 175.997 176.094 0.107 0.000 1.018 563 V CA -0.507 61.875 62.300 0.137 0.000 0.841 563 V CB 1.802 33.667 31.823 0.071 0.000 0.991 563 V HN 0.606 nan 8.190 nan 0.000 0.437 564 V N 4.670 124.688 119.914 0.173 0.000 2.350 564 V HA 0.710 4.830 4.120 0.000 0.000 0.285 564 V C 0.073 176.217 176.094 0.083 0.000 1.014 564 V CA 0.026 62.371 62.300 0.075 0.000 0.831 564 V CB 1.553 33.365 31.823 -0.017 0.000 1.000 564 V HN 0.978 nan 8.190 nan 0.000 0.433 565 T N 2.716 117.296 114.554 0.043 0.000 2.792 565 T HA 0.334 4.684 4.350 0.000 0.000 0.303 565 T C 0.151 174.861 174.700 0.017 0.000 1.310 565 T CA -0.342 61.779 62.100 0.034 0.000 1.007 565 T CB 2.141 71.028 68.868 0.032 0.000 1.335 565 T HN 0.560 nan 8.240 nan 0.000 0.504 566 N N 0.283 118.991 118.700 0.014 0.000 2.257 566 N HA 0.118 4.858 4.740 0.000 0.000 0.200 566 N C -0.806 174.707 175.510 0.004 0.000 1.163 566 N CA 0.083 53.136 53.050 0.006 0.000 0.891 566 N CB 0.463 38.953 38.487 0.005 0.000 1.067 566 N HN 0.610 nan 8.380 nan 0.000 0.497 567 D N -0.005 120.400 120.400 0.008 0.000 2.434 567 D HA 0.157 4.797 4.640 0.000 0.000 0.252 567 D C 1.370 177.671 176.300 0.003 0.000 1.185 567 D CA 0.212 54.216 54.000 0.005 0.000 0.886 567 D CB 1.113 41.918 40.800 0.008 0.000 1.148 567 D HN 0.251 nan 8.370 nan 0.000 0.483 568 G N 1.626 110.426 108.800 -0.001 0.000 2.421 568 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 568 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 568 G C 1.537 176.436 174.900 -0.001 0.000 1.171 568 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 568 G HN 0.461 nan 8.290 nan 0.000 0.543 569 V N 0.826 120.741 119.914 0.000 0.000 2.490 569 V HA -0.129 3.991 4.120 0.000 0.000 0.250 569 V C 2.925 179.021 176.094 0.005 0.000 1.061 569 V CA 2.878 65.180 62.300 0.002 0.000 1.064 569 V CB -0.614 31.210 31.823 0.002 0.000 0.670 569 V HN 0.403 nan 8.190 nan 0.000 0.461 570 T N 0.536 115.093 114.554 0.006 0.000 2.812 570 T HA -0.045 4.305 4.350 0.000 0.000 0.264 570 T C 1.759 176.464 174.700 0.009 0.000 1.042 570 T CA 1.911 64.016 62.100 0.008 0.000 1.140 570 T CB -0.261 68.613 68.868 0.010 0.000 0.870 570 T HN 0.474 nan 8.240 nan 0.000 0.445 571 I N 0.654 121.229 120.570 0.008 0.000 2.264 571 I HA -0.150 4.020 4.170 0.000 0.000 0.248 571 I C 2.014 178.135 176.117 0.007 0.000 1.111 571 I CA 0.917 62.221 61.300 0.007 0.000 1.382 571 I CB -0.272 37.730 38.000 0.003 0.000 1.060 571 I HN 0.163 nan 8.210 nan 0.000 0.418 572 L N 0.229 121.455 121.223 0.005 0.000 2.156 572 L HA -0.100 4.240 4.340 0.000 0.000 0.208 572 L C 2.523 179.399 176.870 0.009 0.000 1.095 572 L CA 1.616 56.460 54.840 0.006 0.000 0.770 572 L CB -0.764 41.297 42.059 0.004 0.000 0.914 572 L HN 0.095 nan 8.230 nan 0.000 0.439 573 R N -0.851 119.655 120.500 0.009 0.000 2.075 573 R HA -0.097 4.243 4.340 0.000 0.000 0.232 573 R C 2.033 178.340 176.300 0.011 0.000 1.126 573 R CA 0.956 57.062 56.100 0.010 0.000 0.963 573 R CB -0.111 30.194 30.300 0.009 0.000 0.858 573 R HN 0.319 nan 8.270 nan 0.000 0.435 574 E N 0.875 121.082 120.200 0.012 0.000 2.086 574 E HA -0.060 4.290 4.350 0.000 0.000 0.190 574 E C 1.222 177.830 176.600 0.013 0.000 0.975 574 E CA 0.501 56.909 56.400 0.013 0.000 0.813 574 E CB -0.125 29.584 29.700 0.015 0.000 0.768 574 E HN 0.355 nan 8.360 nan 0.000 0.457 575 M N -0.035 119.572 119.600 0.012 0.000 2.240 575 M HA 0.090 4.570 4.480 0.000 0.000 0.317 575 M C 0.509 176.817 176.300 0.014 0.000 1.087 575 M CA 0.358 55.665 55.300 0.012 0.000 1.176 575 M CB 0.539 33.145 32.600 0.010 0.000 1.439 575 M HN -0.257 nan 8.290 nan 0.000 0.452 576 S N 2.207 117.916 115.700 0.015 0.000 2.473 576 S HA 0.440 4.910 4.470 0.000 0.000 0.312 576 S C -0.730 173.884 174.600 0.023 0.000 1.087 576 S CA -0.790 57.421 58.200 0.018 0.000 1.077 576 S CB -0.280 62.930 63.200 0.017 0.000 1.065 576 S HN 0.516 nan 8.310 nan 0.000 0.510 577 V N 5.667 125.597 119.914 0.027 0.000 2.439 577 V HA 0.400 4.520 4.120 0.000 0.000 0.282 577 V C 0.720 176.842 176.094 0.047 0.000 1.039 577 V CA -0.379 61.944 62.300 0.038 0.000 0.913 577 V CB 1.637 33.483 31.823 0.038 0.000 0.983 577 V HN 0.779 nan 8.190 nan 0.000 0.460 578 E N 1.086 121.325 120.200 0.065 0.000 2.256 578 E HA 0.084 4.434 4.350 0.000 0.000 0.198 578 E C 0.727 177.376 176.600 0.082 0.000 0.908 578 E CA 0.072 56.509 56.400 0.062 0.000 0.915 578 E CB -0.000 29.735 29.700 0.058 0.000 0.890 578 E HN 0.692 nan 8.360 nan 0.000 0.484 579 H N 2.795 121.882 119.070 0.028 0.000 2.886 579 H HA 0.024 4.580 4.556 0.000 0.000 0.329 579 H C -1.713 173.632 175.328 0.027 0.000 1.044 579 H CA -1.266 54.802 56.048 0.033 0.000 1.456 579 H CB 1.446 31.213 29.762 0.007 0.000 1.464 579 H HN -0.190 nan 8.280 nan 0.000 0.573 580 P HA -0.125 nan 4.420 nan 0.000 0.218 580 P C 1.051 178.469 177.300 0.197 0.000 1.148 580 P CA 1.938 65.093 63.100 0.091 0.000 0.822 580 P CB 0.146 31.848 31.700 0.004 0.000 0.784 581 A N 0.009 123.088 122.820 0.431 0.000 1.898 581 A HA -0.046 4.274 4.320 0.000 0.000 0.216 581 A C 2.315 179.950 177.584 0.084 0.000 1.181 581 A CA 1.886 54.046 52.037 0.204 0.000 0.620 581 A CB -1.540 17.511 19.000 0.086 0.000 0.819 581 A HN 0.187 nan 8.150 nan 0.000 0.442 582 A N -0.121 122.747 122.820 0.080 0.000 1.972 582 A HA -0.136 4.184 4.320 0.000 0.000 0.219 582 A C 2.071 179.682 177.584 0.045 0.000 1.169 582 A CA 1.727 53.782 52.037 0.029 0.000 0.635 582 A CB -0.390 18.624 19.000 0.022 0.000 0.810 582 A HN 0.546 nan 8.150 nan 0.000 0.446 583 K N -0.974 119.468 120.400 0.070 0.000 2.097 583 K HA -0.057 4.263 4.320 0.000 0.000 0.205 583 K C 1.889 178.514 176.600 0.041 0.000 1.050 583 K CA 1.339 57.656 56.287 0.051 0.000 0.938 583 K CB -0.206 32.326 32.500 0.053 0.000 0.718 583 K HN 0.358 nan 8.250 nan 0.000 0.442 584 M N 0.594 120.223 119.600 0.048 0.000 2.254 584 M HA -0.067 4.413 4.480 0.000 0.000 0.265 584 M C 2.151 178.467 176.300 0.026 0.000 1.066 584 M CA 1.132 56.455 55.300 0.037 0.000 1.123 584 M CB -0.656 31.971 32.600 0.043 0.000 1.388 584 M HN 0.204 nan 8.290 nan 0.000 0.425 585 L N 0.108 121.344 121.223 0.021 0.000 2.083 585 L HA -0.201 4.139 4.340 0.000 0.000 0.209 585 L C 2.216 179.091 176.870 0.009 0.000 1.083 585 L CA 1.037 55.883 54.840 0.010 0.000 0.752 585 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 585 L HN 0.189 nan 8.230 nan 0.000 0.433 586 I N -0.449 120.129 120.570 0.013 0.000 2.286 586 I HA -0.283 3.887 4.170 0.000 0.000 0.248 586 I C 2.439 178.563 176.117 0.012 0.000 1.115 586 I CA 1.006 62.313 61.300 0.012 0.000 1.392 586 I CB -0.319 37.691 38.000 0.015 0.000 1.065 586 I HN 0.277 nan 8.210 nan 0.000 0.418 587 E N 0.471 120.680 120.200 0.015 0.000 2.110 587 E HA -0.156 4.194 4.350 0.000 0.000 0.193 587 E C 2.431 179.038 176.600 0.012 0.000 0.988 587 E CA 1.112 57.520 56.400 0.014 0.000 0.804 587 E CB -0.275 29.436 29.700 0.018 0.000 0.745 587 E HN 0.357 nan 8.360 nan 0.000 0.458 588 V N 1.537 121.458 119.914 0.012 0.000 2.358 588 V HA -0.231 3.889 4.120 0.000 0.000 0.246 588 V C 2.462 178.560 176.094 0.006 0.000 1.047 588 V CA 1.772 64.077 62.300 0.010 0.000 1.035 588 V CB -0.819 31.009 31.823 0.009 0.000 0.658 588 V HN 0.242 nan 8.190 nan 0.000 0.452 589 A N -0.353 122.469 122.820 0.004 0.000 1.933 589 A HA -0.217 4.103 4.320 0.000 0.000 0.218 589 A C 2.284 179.870 177.584 0.004 0.000 1.175 589 A CA 1.801 53.839 52.037 0.002 0.000 0.628 589 A CB -0.396 18.604 19.000 0.001 0.000 0.814 589 A HN 0.542 nan 8.150 nan 0.000 0.444 590 K N -0.940 119.464 120.400 0.006 0.000 2.148 590 K HA -0.062 4.258 4.320 0.000 0.000 0.204 590 K C 1.988 178.591 176.600 0.005 0.000 1.050 590 K CA 1.517 57.807 56.287 0.006 0.000 0.942 590 K CB -0.278 32.226 32.500 0.007 0.000 0.724 590 K HN 0.450 nan 8.250 nan 0.000 0.446 591 T N 1.418 115.975 114.554 0.006 0.000 2.777 591 T HA -0.115 4.235 4.350 0.000 0.000 0.266 591 T C 1.810 176.513 174.700 0.005 0.000 1.040 591 T CA 1.006 63.110 62.100 0.006 0.000 1.141 591 T CB -0.032 68.841 68.868 0.008 0.000 0.868 591 T HN 0.158 nan 8.240 nan 0.000 0.444 592 Q N 0.745 120.547 119.800 0.004 0.000 2.124 592 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 592 Q C 2.349 178.350 176.000 0.002 0.000 0.977 592 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 592 Q CB -0.409 28.329 28.738 0.000 0.000 0.901 592 Q HN 0.553 nan 8.270 nan 0.000 0.429 593 E N 1.372 121.573 120.200 0.002 0.000 2.051 593 E HA -0.172 4.178 4.350 0.000 0.000 0.192 593 E C 1.899 178.500 176.600 0.002 0.000 0.991 593 E CA 1.390 57.792 56.400 0.002 0.000 0.799 593 E CB -0.077 29.624 29.700 0.002 0.000 0.748 593 E HN 0.055 nan 8.360 nan 0.000 0.449 594 K N 0.055 120.456 120.400 0.002 0.000 2.057 594 K HA -0.146 4.174 4.320 0.000 0.000 0.206 594 K C 1.786 178.387 176.600 0.001 0.000 1.050 594 K CA 1.376 57.664 56.287 0.001 0.000 0.935 594 K CB 0.009 32.510 32.500 0.002 0.000 0.715 594 K HN 0.155 nan 8.250 nan 0.000 0.439 595 E N 0.072 120.273 120.200 0.002 0.000 2.033 595 E HA -0.094 4.256 4.350 0.000 0.000 0.189 595 E C 1.994 178.595 176.600 0.001 0.000 0.979 595 E CA 1.687 58.087 56.400 0.002 0.000 0.802 595 E CB 0.148 29.850 29.700 0.003 0.000 0.763 595 E HN 0.339 nan 8.360 nan 0.000 0.449 596 V N -4.821 115.094 119.914 0.001 0.000 3.562 596 V HA 0.520 4.640 4.120 0.000 0.000 0.270 596 V C 1.389 177.484 176.094 0.001 0.000 1.418 596 V CA 0.856 63.156 62.300 0.001 0.000 1.033 596 V CB 0.646 32.470 31.823 0.002 0.000 0.820 596 V HN 0.301 nan 8.190 nan 0.000 0.441 597 G N 0.762 109.562 108.800 0.001 0.000 4.365 597 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 597 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 597 G C 0.161 175.062 174.900 0.002 0.000 1.450 597 G CA 0.505 45.606 45.100 0.001 0.000 0.937 597 G HN 0.627 nan 8.290 nan 0.000 0.625 598 D N 1.170 121.571 120.400 0.003 0.000 2.506 598 D HA 0.485 5.125 4.640 0.000 0.000 0.272 598 D C 1.555 177.856 176.300 0.001 0.000 1.214 598 D CA 1.171 55.172 54.000 0.003 0.000 1.067 598 D CB 0.658 41.461 40.800 0.006 0.000 1.117 598 D HN 1.621 nan 8.370 nan 0.000 0.578 599 G N -0.493 108.307 108.800 -0.000 0.000 2.162 599 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 599 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 599 G C 1.091 175.987 174.900 -0.007 0.000 0.976 599 G CA 1.634 46.732 45.100 -0.004 0.000 0.655 599 G HN 0.614 nan 8.290 nan 0.000 0.533 600 T N -2.491 112.060 114.554 -0.006 0.000 2.674 600 T HA -0.121 4.229 4.350 0.000 0.000 0.265 600 T C 2.241 176.934 174.700 -0.012 0.000 1.039 600 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 600 T CB -0.808 68.058 68.868 -0.004 0.000 0.864 600 T HN 0.355 nan 8.240 nan 0.000 0.427 601 T N 2.446 116.993 114.554 -0.012 0.000 2.720 601 T HA -0.127 4.223 4.350 0.000 0.000 0.268 601 T C 2.435 177.120 174.700 -0.025 0.000 1.037 601 T CA 2.144 64.233 62.100 -0.018 0.000 1.144 601 T CB -1.038 67.820 68.868 -0.016 0.000 0.864 601 T HN 0.843 nan 8.240 nan 0.000 0.444 602 T N 0.768 115.307 114.554 -0.024 0.000 2.867 602 T HA 0.100 4.450 4.350 0.000 0.000 0.268 602 T C 2.245 176.922 174.700 -0.039 0.000 1.057 602 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 602 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 602 T HN 0.334 nan 8.240 nan 0.000 0.466 603 A N 1.085 123.887 122.820 -0.030 0.000 1.898 603 A HA 0.128 4.448 4.320 0.000 0.000 0.216 603 A C 2.607 180.169 177.584 -0.035 0.000 1.181 603 A CA 1.473 53.492 52.037 -0.031 0.000 0.620 603 A CB -0.960 18.029 19.000 -0.018 0.000 0.819 603 A HN 0.426 nan 8.150 nan 0.000 0.442 604 V N -0.542 119.353 119.914 -0.031 0.000 2.358 604 V HA -0.191 3.929 4.120 0.000 0.000 0.246 604 V C 2.548 178.615 176.094 -0.044 0.000 1.047 604 V CA 1.848 64.129 62.300 -0.032 0.000 1.035 604 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 604 V HN 0.353 nan 8.190 nan 0.000 0.452 605 V N -0.569 119.317 119.914 -0.047 0.000 2.307 605 V HA -0.196 3.924 4.120 0.000 0.000 0.245 605 V C 2.449 178.499 176.094 -0.074 0.000 1.045 605 V CA 2.048 64.314 62.300 -0.055 0.000 1.024 605 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 605 V HN 0.416 nan 8.190 nan 0.000 0.449 606 V N -0.005 119.858 119.914 -0.086 0.000 2.515 606 V HA -0.168 3.952 4.120 0.000 0.000 0.250 606 V C 2.504 178.513 176.094 -0.142 0.000 1.058 606 V CA 1.957 64.182 62.300 -0.126 0.000 1.064 606 V CB -0.208 31.532 31.823 -0.138 0.000 0.675 606 V HN 0.521 nan 8.190 nan 0.000 0.461 607 A N -0.225 122.535 122.820 -0.100 0.000 1.929 607 A HA 0.037 4.357 4.320 0.000 0.000 0.216 607 A C 2.325 179.869 177.584 -0.067 0.000 1.176 607 A CA 1.583 53.571 52.037 -0.080 0.000 0.628 607 A CB -1.132 17.841 19.000 -0.046 0.000 0.816 607 A HN 0.586 nan 8.150 nan 0.000 0.444 608 G N -0.369 108.393 108.800 -0.064 0.000 2.418 608 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 608 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 608 G C 1.472 176.337 174.900 -0.059 0.000 1.158 608 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 608 G HN 0.555 nan 8.290 nan 0.000 0.545 609 E N -0.037 120.116 120.200 -0.077 0.000 2.107 609 E HA -0.035 4.315 4.350 0.000 0.000 0.191 609 E C 2.280 178.826 176.600 -0.090 0.000 0.982 609 E CA 0.387 56.738 56.400 -0.082 0.000 0.809 609 E CB -0.396 29.243 29.700 -0.101 0.000 0.756 609 E HN 0.251 nan 8.360 nan 0.000 0.459 610 L N 0.155 121.299 121.223 -0.131 0.000 2.083 610 L HA -0.087 4.253 4.340 0.000 0.000 0.209 610 L C 1.996 178.862 176.870 -0.006 0.000 1.083 610 L CA 1.597 56.338 54.840 -0.165 0.000 0.752 610 L CB -0.370 41.539 42.059 -0.251 0.000 0.899 610 L HN 0.262 nan 8.230 nan 0.000 0.433 611 L N -1.185 120.042 121.223 0.005 0.000 2.109 611 L HA -0.151 4.189 4.340 0.000 0.000 0.207 611 L C 2.690 179.578 176.870 0.029 0.000 1.086 611 L CA 1.014 55.879 54.840 0.041 0.000 0.760 611 L CB -0.484 41.580 42.059 0.007 0.000 0.910 611 L HN 0.242 nan 8.230 nan 0.000 0.437 612 R N 0.717 121.217 120.500 -0.000 0.000 2.091 612 R HA -0.145 4.195 4.340 0.000 0.000 0.238 612 R C 2.198 178.510 176.300 0.020 0.000 1.136 612 R CA 1.478 57.576 56.100 -0.003 0.000 0.959 612 R CB -0.116 30.171 30.300 -0.022 0.000 0.856 612 R HN 0.068 nan 8.270 nan 0.000 0.437 613 K N -0.089 120.332 120.400 0.035 0.000 2.155 613 K HA 0.083 4.403 4.320 0.000 0.000 0.203 613 K C 1.921 178.605 176.600 0.139 0.000 1.052 613 K CA 1.125 57.456 56.287 0.074 0.000 0.948 613 K CB -0.219 32.320 32.500 0.065 0.000 0.728 613 K HN 0.291 nan 8.250 nan 0.000 0.448 614 A N 1.445 124.375 122.820 0.182 0.000 1.933 614 A HA -0.190 4.130 4.320 0.000 0.000 0.218 614 A C 2.128 179.747 177.584 0.058 0.000 1.175 614 A CA 1.614 53.746 52.037 0.158 0.000 0.628 614 A CB -0.350 18.768 19.000 0.197 0.000 0.814 614 A HN 0.420 nan 8.150 nan 0.000 0.444 615 E N -0.407 119.818 120.200 0.042 0.000 2.106 615 E HA -0.195 4.155 4.350 0.000 0.000 0.192 615 E C 1.739 178.346 176.600 0.012 0.000 0.984 615 E CA 1.031 57.439 56.400 0.014 0.000 0.806 615 E CB -0.036 29.666 29.700 0.003 0.000 0.750 615 E HN 0.524 nan 8.360 nan 0.000 0.458 616 E N 0.501 120.715 120.200 0.024 0.000 2.110 616 E HA -0.172 4.178 4.350 0.000 0.000 0.193 616 E C 2.243 178.854 176.600 0.019 0.000 0.988 616 E CA 0.730 57.143 56.400 0.021 0.000 0.804 616 E CB -0.143 29.574 29.700 0.029 0.000 0.745 616 E HN 0.403 nan 8.360 nan 0.000 0.458 617 L N 0.060 121.299 121.223 0.026 0.000 2.093 617 L HA -0.163 4.177 4.340 0.000 0.000 0.208 617 L C 2.293 179.157 176.870 -0.010 0.000 1.085 617 L CA 0.362 55.207 54.840 0.010 0.000 0.755 617 L CB -0.284 41.775 42.059 0.000 0.000 0.904 617 L HN 0.120 nan 8.230 nan 0.000 0.435 618 L N -0.182 121.032 121.223 -0.014 0.000 2.141 618 L HA -0.208 4.132 4.340 0.000 0.000 0.209 618 L C 2.071 178.931 176.870 -0.017 0.000 1.094 618 L CA 1.666 56.491 54.840 -0.025 0.000 0.763 618 L CB -0.800 41.242 42.059 -0.027 0.000 0.908 618 L HN 0.225 nan 8.230 nan 0.000 0.437 619 D N -1.369 119.027 120.400 -0.007 0.000 2.178 619 D HA -0.169 4.471 4.640 0.000 0.000 0.202 619 D C 1.900 178.199 176.300 -0.002 0.000 0.974 619 D CA 0.754 54.752 54.000 -0.004 0.000 0.841 619 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 619 D HN 0.217 nan 8.370 nan 0.000 0.478 620 Q N 0.033 119.833 119.800 -0.000 0.000 2.444 620 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 620 Q C 0.035 176.035 176.000 0.001 0.000 0.948 620 Q CA 0.209 56.014 55.803 0.002 0.000 0.946 620 Q CB 0.147 28.889 28.738 0.007 0.000 1.027 620 Q HN 0.363 nan 8.270 nan 0.000 0.513 621 N N -0.210 118.487 118.700 -0.005 0.000 2.780 621 N HA -0.135 4.605 4.740 0.000 0.000 0.248 621 N C -0.905 174.606 175.510 0.002 0.000 1.102 621 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 621 N CB -1.768 36.721 38.487 0.003 0.000 1.028 621 N HN 0.007 nan 8.380 nan 0.000 0.554 622 V N 1.767 121.677 119.914 -0.006 0.000 2.408 622 V HA 0.062 4.182 4.120 0.000 0.000 0.267 622 V C 1.131 177.223 176.094 -0.004 0.000 1.047 622 V CA -0.569 61.732 62.300 0.003 0.000 0.937 622 V CB 1.128 32.943 31.823 -0.013 0.000 0.999 622 V HN 0.288 nan 8.190 nan 0.000 0.472 623 H N 8.311 127.360 119.070 -0.036 0.000 3.001 623 H HA 0.026 4.583 4.556 0.000 0.000 0.334 623 H C -1.665 173.632 175.328 -0.051 0.000 1.034 623 H CA -1.130 54.897 56.048 -0.034 0.000 1.420 623 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 623 H HN 0.383 nan 8.280 nan 0.000 0.593 624 P HA -0.187 nan 4.420 nan 0.000 0.217 624 P C 1.414 178.739 177.300 0.041 0.000 1.148 624 P CA 2.560 65.595 63.100 -0.109 0.000 0.834 624 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 625 T N -4.118 110.605 114.554 0.282 0.000 3.023 625 T HA 0.000 4.351 4.350 0.000 0.000 0.266 625 T C 1.753 176.481 174.700 0.047 0.000 1.093 625 T CA 0.677 62.864 62.100 0.146 0.000 1.129 625 T CB -1.041 67.896 68.868 0.115 0.000 0.899 625 T HN 0.059 nan 8.240 nan 0.000 0.491 626 I N 0.812 121.417 120.570 0.058 0.000 2.333 626 I HA -0.048 4.122 4.170 0.000 0.000 0.246 626 I C 2.622 178.684 176.117 -0.090 0.000 1.106 626 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 626 I CB -0.330 37.675 38.000 0.010 0.000 1.082 626 I HN 0.093 nan 8.210 nan 0.000 0.420 627 V N 1.270 121.095 119.914 -0.147 0.000 2.255 627 V HA -0.250 3.870 4.120 0.000 0.000 0.247 627 V C 2.562 178.314 176.094 -0.569 0.000 1.051 627 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 627 V CB -0.667 30.940 31.823 -0.360 0.000 0.641 627 V HN 0.482 nan 8.190 nan 0.000 0.445 628 V N -1.331 118.410 119.914 -0.289 0.000 2.809 628 V HA -0.145 3.975 4.120 0.000 0.000 0.256 628 V C 2.237 178.307 176.094 -0.040 0.000 1.080 628 V CA 2.139 64.360 62.300 -0.132 0.000 1.102 628 V CB -0.759 31.051 31.823 -0.021 0.000 0.705 628 V HN 0.554 nan 8.190 nan 0.000 0.475 629 K N 1.304 121.670 120.400 -0.057 0.000 2.025 629 K HA -0.001 4.319 4.320 0.000 0.000 0.207 629 K C 2.203 178.804 176.600 0.002 0.000 1.049 629 K CA 1.661 57.937 56.287 -0.018 0.000 0.933 629 K CB -0.813 31.674 32.500 -0.022 0.000 0.714 629 K HN 0.526 nan 8.250 nan 0.000 0.438 630 G N -0.147 108.646 108.800 -0.011 0.000 2.408 630 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 630 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 630 G C 1.143 176.138 174.900 0.157 0.000 1.150 630 G CA 0.555 45.694 45.100 0.064 0.000 0.776 630 G HN 0.251 nan 8.290 nan 0.000 0.542 631 Y N 0.398 120.674 120.300 -0.040 0.000 2.242 631 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 631 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 631 Y CA 1.009 59.037 58.100 -0.121 0.000 1.181 631 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 631 Y HN 0.273 nan 8.280 nan 0.000 0.527 632 Q N 0.311 120.142 119.800 0.051 0.000 2.083 632 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 632 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 632 Q CA 1.690 57.488 55.803 -0.007 0.000 0.838 632 Q CB -0.473 28.277 28.738 0.021 0.000 0.900 632 Q HN 0.314 nan 8.270 nan 0.000 0.436 633 A N 0.368 123.173 122.820 -0.024 0.000 1.877 633 A HA -0.039 4.281 4.320 0.000 0.000 0.216 633 A C 2.289 179.843 177.584 -0.050 0.000 1.186 633 A CA 1.981 54.042 52.037 0.041 0.000 0.620 633 A CB -1.223 17.872 19.000 0.158 0.000 0.822 633 A HN 0.505 nan 8.150 nan 0.000 0.443 634 A N -0.339 122.370 122.820 -0.186 0.000 1.930 634 A HA 0.217 4.537 4.320 0.000 0.000 0.217 634 A C 2.461 179.668 177.584 -0.628 0.000 1.175 634 A CA 1.924 53.708 52.037 -0.421 0.000 0.627 634 A CB -0.890 17.731 19.000 -0.631 0.000 0.815 634 A HN 1.025 nan 8.150 nan 0.000 0.443 635 A N -1.129 121.253 122.820 -0.730 0.000 1.930 635 A HA -0.141 4.179 4.320 0.000 0.000 0.217 635 A C 2.119 179.600 177.584 -0.172 0.000 1.175 635 A CA 1.519 53.342 52.037 -0.357 0.000 0.627 635 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 635 A HN 0.477 nan 8.150 nan 0.000 0.443 636 Q N -0.293 119.403 119.800 -0.172 0.000 2.084 636 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 636 Q C 2.053 177.956 176.000 -0.163 0.000 0.978 636 Q CA 1.869 57.598 55.803 -0.123 0.000 0.844 636 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 636 Q HN 0.613 nan 8.270 nan 0.000 0.426 637 K N 0.978 121.209 120.400 -0.280 0.000 2.097 637 K HA 0.012 4.332 4.320 0.000 0.000 0.205 637 K C 1.832 178.306 176.600 -0.210 0.000 1.050 637 K CA 1.203 57.276 56.287 -0.357 0.000 0.938 637 K CB -0.447 31.579 32.500 -0.790 0.000 0.718 637 K HN 0.122 nan 8.250 nan 0.000 0.442 638 A N 0.619 123.347 122.820 -0.155 0.000 1.933 638 A HA -0.211 4.109 4.320 0.000 0.000 0.218 638 A C 2.078 179.647 177.584 -0.026 0.000 1.175 638 A CA 1.693 53.706 52.037 -0.040 0.000 0.628 638 A CB -0.516 18.525 19.000 0.068 0.000 0.814 638 A HN 0.510 nan 8.150 nan 0.000 0.444 639 Q N -0.632 119.144 119.800 -0.039 0.000 2.079 639 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 639 Q C 1.980 177.961 176.000 -0.031 0.000 0.974 639 Q CA 1.604 57.392 55.803 -0.025 0.000 0.840 639 Q CB -0.180 28.543 28.738 -0.026 0.000 0.898 639 Q HN 0.774 nan 8.270 nan 0.000 0.430 640 E N 0.523 120.691 120.200 -0.053 0.000 2.106 640 E HA -0.156 4.194 4.350 0.000 0.000 0.192 640 E C 2.045 178.623 176.600 -0.036 0.000 0.984 640 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 640 E CB -0.025 29.633 29.700 -0.069 0.000 0.750 640 E HN 0.307 nan 8.360 nan 0.000 0.458 641 L N 0.567 121.765 121.223 -0.042 0.000 2.056 641 L HA -0.191 4.149 4.340 0.000 0.000 0.207 641 L C 2.435 179.303 176.870 -0.003 0.000 1.078 641 L CA 0.889 55.717 54.840 -0.020 0.000 0.749 641 L CB -0.325 41.722 42.059 -0.019 0.000 0.901 641 L HN 0.169 nan 8.230 nan 0.000 0.433 642 L N -0.442 120.780 121.223 -0.002 0.000 2.056 642 L HA -0.206 4.134 4.340 0.000 0.000 0.207 642 L C 2.597 179.469 176.870 0.003 0.000 1.078 642 L CA 1.337 56.181 54.840 0.006 0.000 0.749 642 L CB -0.430 41.633 42.059 0.007 0.000 0.901 642 L HN 0.206 nan 8.230 nan 0.000 0.433 643 K N -0.731 119.667 120.400 -0.003 0.000 2.148 643 K HA -0.097 4.223 4.320 0.000 0.000 0.204 643 K C 2.050 178.649 176.600 -0.002 0.000 1.050 643 K CA 1.529 57.813 56.287 -0.003 0.000 0.942 643 K CB -0.169 32.327 32.500 -0.007 0.000 0.724 643 K HN 0.276 nan 8.250 nan 0.000 0.446 644 T N 1.943 116.495 114.554 -0.003 0.000 2.777 644 T HA -0.072 4.278 4.350 0.000 0.000 0.266 644 T C 1.859 176.561 174.700 0.003 0.000 1.040 644 T CA 1.261 63.360 62.100 -0.001 0.000 1.141 644 T CB -0.127 68.740 68.868 -0.002 0.000 0.868 644 T HN 0.385 nan 8.240 nan 0.000 0.444 645 I N -0.325 120.250 120.570 0.008 0.000 3.578 645 I HA 0.451 4.621 4.170 0.000 0.000 0.295 645 I C 1.036 177.158 176.117 0.009 0.000 1.280 645 I CA -0.554 60.753 61.300 0.011 0.000 1.347 645 I CB -0.457 37.557 38.000 0.024 0.000 1.051 645 I HN -0.055 nan 8.210 nan 0.000 0.460 646 A N 1.578 124.402 122.820 0.007 0.000 2.548 646 A HA 0.101 4.421 4.320 0.000 0.000 0.247 646 A C 0.161 177.747 177.584 0.004 0.000 1.067 646 A CA -0.016 52.024 52.037 0.006 0.000 0.757 646 A CB -0.280 18.722 19.000 0.003 0.000 0.996 646 A HN 0.642 nan 8.150 nan 0.000 0.504 647 C N 3.611 122.913 119.300 0.004 0.000 2.265 647 C HA 0.473 4.933 4.460 0.000 0.000 0.332 647 C C 0.494 175.485 174.990 0.001 0.000 1.248 647 C CA -0.585 58.434 59.018 0.002 0.000 1.727 647 C CB -0.799 26.942 27.740 0.002 0.000 2.348 647 C HN 0.930 nan 8.230 nan 0.000 0.519 648 E N 3.840 124.040 120.200 -0.000 0.000 2.316 648 E HA 0.498 4.848 4.350 0.000 0.000 0.275 648 E C -0.294 176.305 176.600 -0.001 0.000 1.029 648 E CA -0.200 56.200 56.400 -0.001 0.000 0.871 648 E CB 0.859 30.559 29.700 -0.001 0.000 1.022 648 E HN 0.727 nan 8.360 nan 0.000 0.418 649 V N 0.974 120.887 119.914 -0.001 0.000 3.102 649 V HA 0.733 4.853 4.120 0.000 0.000 0.312 649 V C 0.361 176.454 176.094 -0.002 0.000 1.135 649 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 649 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 649 V HN 0.714 nan 8.190 nan 0.000 0.436 650 G N 0.519 109.317 108.800 -0.003 0.000 2.343 650 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 650 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 650 G C 0.986 175.884 174.900 -0.003 0.000 1.277 650 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 650 G HN 1.658 nan 8.290 nan 0.000 0.502 651 A N 2.473 125.291 122.820 -0.002 0.000 1.978 651 A HA -0.099 4.221 4.320 0.000 0.000 0.220 651 A C 2.069 179.651 177.584 -0.003 0.000 1.170 651 A CA 1.970 54.005 52.037 -0.002 0.000 0.636 651 A CB -0.092 18.907 19.000 -0.002 0.000 0.810 651 A HN 0.764 nan 8.150 nan 0.000 0.448 652 Q N -0.226 119.573 119.800 -0.002 0.000 2.175 652 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 652 Q C -0.412 175.586 176.000 -0.003 0.000 0.837 652 Q CA 0.166 55.967 55.803 -0.002 0.000 1.032 652 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 652 Q HN 0.430 nan 8.270 nan 0.000 0.483 653 D N 0.892 121.291 120.400 -0.003 0.000 2.346 653 D HA 0.043 4.683 4.640 0.000 0.000 0.260 653 D C 0.997 177.294 176.300 -0.004 0.000 1.252 653 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 653 D CB 0.900 41.697 40.800 -0.004 0.000 1.097 653 D HN 0.078 nan 8.370 nan 0.000 0.489 654 K N 3.621 124.018 120.400 -0.004 0.000 2.052 654 K HA -0.304 4.016 4.320 0.000 0.000 0.215 654 K C 1.553 178.149 176.600 -0.006 0.000 1.053 654 K CA 2.195 58.479 56.287 -0.005 0.000 0.934 654 K CB -0.208 32.289 32.500 -0.004 0.000 0.717 654 K HN 0.676 nan 8.250 nan 0.000 0.450 655 E N -0.534 119.662 120.200 -0.007 0.000 2.021 655 E HA -0.227 4.123 4.350 0.000 0.000 0.200 655 E C 2.010 178.605 176.600 -0.009 0.000 1.015 655 E CA 1.766 58.161 56.400 -0.008 0.000 0.824 655 E CB -0.298 29.397 29.700 -0.008 0.000 0.762 655 E HN 0.345 nan 8.360 nan 0.000 0.454 656 I N 0.552 121.118 120.570 -0.007 0.000 2.614 656 I HA -0.189 3.981 4.170 0.000 0.000 0.258 656 I C 1.945 178.059 176.117 -0.006 0.000 1.189 656 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 656 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 656 I HN 0.213 nan 8.210 nan 0.000 0.442 657 L N 0.031 121.251 121.223 -0.006 0.000 2.093 657 L HA -0.171 4.169 4.340 0.000 0.000 0.208 657 L C 2.653 179.519 176.870 -0.007 0.000 1.085 657 L CA 2.371 57.208 54.840 -0.006 0.000 0.755 657 L CB -1.408 40.648 42.059 -0.005 0.000 0.904 657 L HN 0.476 nan 8.230 nan 0.000 0.435 658 T N -4.830 109.719 114.554 -0.009 0.000 3.014 658 T HA -0.081 4.270 4.350 0.000 0.000 0.263 658 T C 1.910 176.601 174.700 -0.014 0.000 1.078 658 T CA 0.525 62.619 62.100 -0.011 0.000 1.135 658 T CB -0.101 68.760 68.868 -0.012 0.000 0.895 658 T HN 0.188 nan 8.240 nan 0.000 0.480 659 K N 0.522 120.914 120.400 -0.014 0.000 2.062 659 K HA 0.117 4.437 4.320 0.000 0.000 0.205 659 K C 2.137 178.730 176.600 -0.012 0.000 1.051 659 K CA 0.828 57.105 56.287 -0.016 0.000 0.941 659 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 659 K HN 0.235 nan 8.250 nan 0.000 0.440 660 I N 1.338 121.904 120.570 -0.007 0.000 2.202 660 I HA -0.202 3.968 4.170 0.000 0.000 0.242 660 I C 2.501 178.617 176.117 -0.002 0.000 1.091 660 I CA 1.193 62.492 61.300 -0.003 0.000 1.368 660 I CB -1.359 36.640 38.000 -0.002 0.000 1.058 660 I HN 0.092 nan 8.210 nan 0.000 0.410 661 A N 0.722 123.540 122.820 -0.004 0.000 1.865 661 A HA -0.247 4.073 4.320 0.000 0.000 0.217 661 A C 2.412 179.994 177.584 -0.004 0.000 1.191 661 A CA 1.990 54.025 52.037 -0.004 0.000 0.623 661 A CB -0.622 18.375 19.000 -0.006 0.000 0.826 661 A HN 0.353 nan 8.150 nan 0.000 0.444 662 M N -0.323 119.271 119.600 -0.010 0.000 2.099 662 M HA -0.132 4.348 4.480 0.000 0.000 0.262 662 M C 2.437 178.731 176.300 -0.011 0.000 1.067 662 M CA 2.031 57.321 55.300 -0.016 0.000 1.124 662 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 662 M HN 0.717 nan 8.290 nan 0.000 0.410 663 T N -2.757 111.792 114.554 -0.008 0.000 2.867 663 T HA -0.098 4.252 4.350 0.000 0.000 0.268 663 T C 1.888 176.606 174.700 0.030 0.000 1.057 663 T CA 1.641 63.747 62.100 0.009 0.000 1.136 663 T CB -0.462 68.412 68.868 0.010 0.000 0.874 663 T HN 0.286 nan 8.240 nan 0.000 0.466 664 S N 0.976 116.687 115.700 0.019 0.000 2.355 664 S HA 0.042 4.512 4.470 0.000 0.000 0.222 664 S C 1.990 176.607 174.600 0.027 0.000 1.031 664 S CA 0.863 59.076 58.200 0.022 0.000 0.993 664 S CB -0.603 62.604 63.200 0.012 0.000 0.859 664 S HN 0.589 nan 8.310 nan 0.000 0.453 665 I N 1.717 122.301 120.570 0.022 0.000 2.361 665 I HA -0.108 4.062 4.170 0.000 0.000 0.251 665 I C 1.218 177.362 176.117 0.045 0.000 1.133 665 I CA 0.872 62.187 61.300 0.025 0.000 1.413 665 I CB -0.908 37.101 38.000 0.015 0.000 1.073 665 I HN 0.427 nan 8.210 nan 0.000 0.424 666 T N -0.540 114.052 114.554 0.064 0.000 2.932 666 T HA 0.315 4.665 4.350 0.000 0.000 0.312 666 T C 1.168 175.946 174.700 0.130 0.000 1.071 666 T CA 0.100 62.276 62.100 0.127 0.000 1.128 666 T CB 1.272 70.258 68.868 0.196 0.000 0.984 666 T HN 0.604 nan 8.240 nan 0.000 0.549 667 G N 1.325 110.210 108.800 0.143 0.000 2.176 667 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 667 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 667 G C -0.040 174.886 174.900 0.043 0.000 0.979 667 G CA 0.351 45.493 45.100 0.070 0.000 0.641 667 G HN 0.912 nan 8.290 nan 0.000 0.530 668 K N -0.461 119.969 120.400 0.051 0.000 2.185 668 K HA 0.681 5.001 4.320 0.000 0.000 0.240 668 K C 1.585 178.207 176.600 0.037 0.000 0.983 668 K CA 0.124 56.432 56.287 0.036 0.000 0.873 668 K CB 0.842 33.361 32.500 0.032 0.000 1.118 668 K HN 0.195 nan 8.250 nan 0.000 0.441 669 G N 0.199 109.016 108.800 0.029 0.000 2.432 669 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 669 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 669 G C 1.177 176.095 174.900 0.029 0.000 1.135 669 G CA 1.023 46.140 45.100 0.028 0.000 0.767 669 G HN 0.577 nan 8.290 nan 0.000 0.550 670 A N 0.502 123.338 122.820 0.027 0.000 2.172 670 A HA 0.082 4.402 4.320 0.000 0.000 0.216 670 A C 1.987 179.586 177.584 0.024 0.000 1.154 670 A CA 1.650 53.701 52.037 0.023 0.000 0.701 670 A CB -0.337 18.675 19.000 0.019 0.000 0.789 670 A HN 0.507 nan 8.150 nan 0.000 0.465 671 E N 1.190 121.411 120.200 0.034 0.000 2.171 671 E HA -0.297 4.053 4.350 0.000 0.000 0.197 671 E C 1.879 178.495 176.600 0.026 0.000 0.997 671 E CA 1.667 58.089 56.400 0.037 0.000 0.810 671 E CB -0.201 29.540 29.700 0.069 0.000 0.738 671 E HN 0.802 nan 8.360 nan 0.000 0.467 672 K N -0.459 119.958 120.400 0.028 0.000 2.286 672 K HA -0.121 4.199 4.320 0.000 0.000 0.203 672 K C 1.239 177.846 176.600 0.012 0.000 1.045 672 K CA 1.490 57.790 56.287 0.021 0.000 0.935 672 K CB -0.015 32.498 32.500 0.022 0.000 0.737 672 K HN 0.104 nan 8.250 nan 0.000 0.460 673 A N 1.806 124.632 122.820 0.011 0.000 2.606 673 A HA 0.136 4.456 4.320 0.000 0.000 0.290 673 A C 1.369 178.954 177.584 0.002 0.000 1.174 673 A CA -0.543 51.497 52.037 0.006 0.000 0.958 673 A CB -0.015 18.990 19.000 0.008 0.000 1.194 673 A HN 0.422 nan 8.150 nan 0.000 0.526 674 K N 0.154 120.554 120.400 0.000 0.000 2.281 674 K HA -0.188 4.132 4.320 0.000 0.000 0.203 674 K C 0.864 177.458 176.600 -0.010 0.000 1.046 674 K CA 1.871 58.156 56.287 -0.004 0.000 0.938 674 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 674 K HN 0.317 nan 8.250 nan 0.000 0.458 675 E N 1.499 121.693 120.200 -0.011 0.000 2.047 675 E HA -0.137 4.213 4.350 0.000 0.000 0.191 675 E C 1.916 178.511 176.600 -0.008 0.000 0.987 675 E CA 1.304 57.697 56.400 -0.013 0.000 0.799 675 E CB -0.049 29.643 29.700 -0.013 0.000 0.752 675 E HN 0.267 nan 8.360 nan 0.000 0.449 676 K N 0.211 120.609 120.400 -0.005 0.000 2.097 676 K HA -0.066 4.254 4.320 0.000 0.000 0.205 676 K C 1.657 178.255 176.600 -0.003 0.000 1.050 676 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 676 K CB -0.200 32.300 32.500 0.000 0.000 0.718 676 K HN -0.008 nan 8.250 nan 0.000 0.442 677 L N 0.520 121.741 121.223 -0.003 0.000 2.056 677 L HA 0.014 4.355 4.340 0.000 0.000 0.207 677 L C 2.284 179.151 176.870 -0.005 0.000 1.078 677 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 677 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 677 L HN 0.269 nan 8.230 nan 0.000 0.433 678 A N -0.973 121.844 122.820 -0.006 0.000 1.933 678 A HA -0.258 4.062 4.320 0.000 0.000 0.218 678 A C 2.355 179.934 177.584 -0.008 0.000 1.175 678 A CA 1.798 53.830 52.037 -0.008 0.000 0.628 678 A CB -0.543 18.451 19.000 -0.011 0.000 0.814 678 A HN 0.500 nan 8.150 nan 0.000 0.444 679 E N -0.225 119.970 120.200 -0.008 0.000 2.077 679 E HA -0.160 4.190 4.350 0.000 0.000 0.193 679 E C 1.875 178.470 176.600 -0.007 0.000 0.989 679 E CA 1.231 57.627 56.400 -0.007 0.000 0.800 679 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 679 E HN 0.663 nan 8.360 nan 0.000 0.452 680 I N 0.342 120.907 120.570 -0.007 0.000 2.226 680 I HA -0.265 3.905 4.170 0.000 0.000 0.245 680 I C 2.118 178.228 176.117 -0.011 0.000 1.100 680 I CA 0.738 62.032 61.300 -0.009 0.000 1.374 680 I CB -0.073 37.922 38.000 -0.009 0.000 1.057 680 I HN 0.200 nan 8.210 nan 0.000 0.413 681 I N -0.449 120.116 120.570 -0.009 0.000 2.406 681 I HA -0.161 4.009 4.170 0.000 0.000 0.249 681 I C 2.295 178.407 176.117 -0.009 0.000 1.122 681 I CA 1.074 62.369 61.300 -0.009 0.000 1.431 681 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 681 I HN -0.072 nan 8.210 nan 0.000 0.424 682 V N 0.229 120.139 119.914 -0.008 0.000 2.358 682 V HA -0.245 3.875 4.120 0.000 0.000 0.246 682 V C 2.501 178.591 176.094 -0.007 0.000 1.047 682 V CA 1.863 64.159 62.300 -0.007 0.000 1.035 682 V CB -0.524 31.296 31.823 -0.006 0.000 0.658 682 V HN 0.401 nan 8.190 nan 0.000 0.452 683 E N 0.825 121.021 120.200 -0.007 0.000 2.072 683 E HA -0.143 4.207 4.350 0.000 0.000 0.191 683 E C 2.133 178.727 176.600 -0.009 0.000 0.985 683 E CA 1.597 57.992 56.400 -0.007 0.000 0.801 683 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 683 E HN 0.489 nan 8.360 nan 0.000 0.452 684 A N 0.077 122.890 122.820 -0.012 0.000 1.877 684 A HA -0.145 4.175 4.320 0.000 0.000 0.216 684 A C 2.510 180.087 177.584 -0.013 0.000 1.186 684 A CA 1.744 53.771 52.037 -0.016 0.000 0.620 684 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 684 A HN 0.205 nan 8.150 nan 0.000 0.443 685 V N -0.513 119.394 119.914 -0.010 0.000 2.307 685 V HA -0.198 3.922 4.120 0.000 0.000 0.245 685 V C 2.816 178.907 176.094 -0.006 0.000 1.045 685 V CA 2.274 64.569 62.300 -0.008 0.000 1.024 685 V CB -0.717 31.102 31.823 -0.007 0.000 0.651 685 V HN 0.667 nan 8.190 nan 0.000 0.449 686 S N -0.094 115.604 115.700 -0.004 0.000 2.370 686 S HA -0.208 4.262 4.470 0.000 0.000 0.226 686 S C 2.118 176.720 174.600 0.002 0.000 1.033 686 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 686 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 686 S HN 0.616 nan 8.310 nan 0.000 0.457 687 A N 0.714 123.534 122.820 0.000 0.000 1.933 687 A HA -0.006 4.314 4.320 0.000 0.000 0.218 687 A C 2.319 179.907 177.584 0.005 0.000 1.175 687 A CA 1.860 53.900 52.037 0.004 0.000 0.628 687 A CB -0.787 18.211 19.000 -0.003 0.000 0.814 687 A HN 0.987 nan 8.150 nan 0.000 0.444 688 V N -3.842 116.071 119.914 -0.002 0.000 3.307 688 V HA 0.090 4.210 4.120 0.000 0.000 0.253 688 V C 1.996 178.088 176.094 -0.003 0.000 1.149 688 V CA 1.160 63.457 62.300 -0.004 0.000 1.112 688 V CB -0.248 31.569 31.823 -0.011 0.000 0.777 688 V HN 0.171 nan 8.190 nan 0.000 0.464 689 V N 0.501 120.414 119.914 -0.003 0.000 2.453 689 V HA -0.032 4.088 4.120 0.000 0.000 0.247 689 V C 1.627 177.719 176.094 -0.002 0.000 1.048 689 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 689 V CB -0.276 31.544 31.823 -0.003 0.000 0.672 689 V HN 0.810 nan 8.190 nan 0.000 0.457 690 D N -0.616 119.785 120.400 0.001 0.000 4.438 690 D HA -0.218 4.422 4.640 0.000 0.000 0.158 690 D C 0.601 176.899 176.300 -0.004 0.000 0.686 690 D CA 1.946 55.946 54.000 0.000 0.000 1.183 690 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 690 D HN 0.574 nan 8.370 nan 0.000 0.521 691 D N 1.462 121.858 120.400 -0.007 0.000 2.384 691 D HA 0.262 4.902 4.640 0.000 0.000 0.244 691 D C -0.302 175.995 176.300 -0.006 0.000 1.251 691 D CA 0.308 54.303 54.000 -0.008 0.000 0.961 691 D CB 0.420 41.214 40.800 -0.010 0.000 1.116 691 D HN 0.219 nan 8.370 nan 0.000 0.484 692 E N -0.136 120.061 120.200 -0.006 0.000 2.267 692 E HA 0.565 4.915 4.350 0.000 0.000 0.241 692 E C -0.262 176.335 176.600 -0.005 0.000 0.950 692 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 692 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 692 E HN 0.497 nan 8.360 nan 0.000 0.436 693 G N 1.738 110.535 108.800 -0.005 0.000 2.347 693 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 693 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 693 G C -1.781 173.117 174.900 -0.004 0.000 1.481 693 G CA -0.815 44.283 45.100 -0.005 0.000 0.914 693 G HN 0.064 nan 8.290 nan 0.000 0.638 694 K N 0.314 120.711 120.400 -0.005 0.000 2.550 694 K HA 0.543 4.863 4.320 0.000 0.000 0.252 694 K C -1.344 175.253 176.600 -0.005 0.000 0.943 694 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 694 K CB 2.196 34.694 32.500 -0.005 0.000 1.289 694 K HN 0.601 nan 8.250 nan 0.000 0.435 695 V N 3.323 123.235 119.914 -0.005 0.000 2.370 695 V HA 0.262 4.382 4.120 0.000 0.000 0.279 695 V C -0.311 175.780 176.094 -0.006 0.000 1.029 695 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 695 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 695 V HN 0.624 nan 8.190 nan 0.000 0.451 696 D N 3.811 124.206 120.400 -0.007 0.000 2.453 696 D HA 0.305 4.945 4.640 0.000 0.000 0.238 696 D C 0.863 177.157 176.300 -0.010 0.000 1.088 696 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 696 D CB 1.598 42.393 40.800 -0.009 0.000 1.076 696 D HN 0.423 nan 8.370 nan 0.000 0.533 697 K N 1.965 122.360 120.400 -0.010 0.000 2.360 697 K HA -0.150 4.170 4.320 0.000 0.000 0.201 697 K C 0.905 177.496 176.600 -0.014 0.000 1.046 697 K CA 0.807 57.087 56.287 -0.011 0.000 0.945 697 K CB 0.242 32.737 32.500 -0.009 0.000 0.750 697 K HN 0.344 nan 8.250 nan 0.000 0.464 698 D N 0.783 121.174 120.400 -0.014 0.000 2.310 698 D HA -0.081 4.559 4.640 0.000 0.000 0.212 698 D C 1.259 177.545 176.300 -0.022 0.000 0.965 698 D CA 0.641 54.630 54.000 -0.017 0.000 0.879 698 D CB 0.138 40.929 40.800 -0.015 0.000 0.921 698 D HN 0.118 nan 8.370 nan 0.000 0.510 699 L N -0.154 121.057 121.223 -0.021 0.000 2.554 699 L HA 0.158 4.498 4.340 0.000 0.000 0.226 699 L C 0.347 177.199 176.870 -0.029 0.000 1.137 699 L CA 0.203 55.029 54.840 -0.024 0.000 0.863 699 L CB 0.078 42.125 42.059 -0.019 0.000 0.985 699 L HN 0.021 nan 8.230 nan 0.000 0.451 700 I N 0.650 121.204 120.570 -0.028 0.000 2.390 700 I HA 0.171 4.341 4.170 0.000 0.000 0.283 700 I C 0.108 176.204 176.117 -0.035 0.000 1.016 700 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 700 I CB 1.417 39.401 38.000 -0.025 0.000 1.293 700 I HN -0.033 nan 8.210 nan 0.000 0.458 701 K N 6.815 127.187 120.400 -0.046 0.000 2.276 701 K HA 0.400 4.720 4.320 0.000 0.000 0.283 701 K C -0.645 175.925 176.600 -0.049 0.000 1.044 701 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 701 K CB 0.875 33.337 32.500 -0.064 0.000 1.012 701 K HN 0.456 nan 8.250 nan 0.000 0.472 702 I N 4.325 124.872 120.570 -0.039 0.000 2.307 702 I HA 0.155 4.325 4.170 0.000 0.000 0.287 702 I C -0.138 175.959 176.117 -0.033 0.000 1.054 702 I CA -0.550 60.730 61.300 -0.034 0.000 1.218 702 I CB 0.683 38.669 38.000 -0.024 0.000 1.398 702 I HN 0.674 nan 8.210 nan 0.000 0.475 703 E N 7.301 127.477 120.200 -0.040 0.000 2.216 703 E HA 0.473 4.823 4.350 0.000 0.000 0.279 703 E C -0.733 175.857 176.600 -0.016 0.000 0.997 703 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 703 E CB 1.046 30.718 29.700 -0.046 0.000 1.096 703 E HN 0.542 nan 8.360 nan 0.000 0.393 704 K N 2.885 123.281 120.400 -0.007 0.000 2.541 704 K HA 0.562 4.882 4.320 0.000 0.000 0.250 704 K C -1.029 175.574 176.600 0.005 0.000 0.950 704 K CA -1.086 55.200 56.287 -0.002 0.000 0.805 704 K CB 1.509 34.003 32.500 -0.010 0.000 1.166 704 K HN 0.092 nan 8.250 nan 0.000 0.430 705 K N 2.043 122.452 120.400 0.015 0.000 2.578 705 K HA 0.197 4.517 4.320 0.000 0.000 0.250 705 K C -0.894 175.717 176.600 0.019 0.000 0.955 705 K CA -0.652 55.648 56.287 0.022 0.000 0.825 705 K CB 2.045 34.570 32.500 0.042 0.000 1.151 705 K HN 0.776 nan 8.250 nan 0.000 0.432 706 S N 1.278 116.986 115.700 0.012 0.000 2.568 706 S HA 0.504 4.974 4.470 0.000 0.000 0.282 706 S C 0.357 174.969 174.600 0.019 0.000 1.338 706 S CA 1.268 59.477 58.200 0.014 0.000 1.045 706 S CB 0.152 63.359 63.200 0.011 0.000 0.873 706 S HN 0.873 nan 8.310 nan 0.000 0.516 707 G N 1.673 110.485 108.800 0.020 0.000 2.465 707 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 707 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 707 G C -0.085 174.828 174.900 0.021 0.000 1.340 707 G CA -0.050 45.062 45.100 0.020 0.000 0.884 707 G HN 2.157 nan 8.290 nan 0.000 0.650 708 A N -0.571 122.261 122.820 0.019 0.000 6.088 708 A HA 0.393 4.713 4.320 0.000 0.000 0.261 708 A C 1.121 178.716 177.584 0.018 0.000 2.138 708 A CA 1.933 53.981 52.037 0.018 0.000 0.708 708 A CB -1.620 17.393 19.000 0.022 0.000 1.068 708 A HN 2.722 nan 8.150 nan 0.000 0.364 709 S N -2.789 112.921 115.700 0.018 0.000 2.811 709 S HA 0.703 5.173 4.470 0.000 0.000 0.311 709 S C 1.121 175.732 174.600 0.018 0.000 1.152 709 S CA 0.148 58.358 58.200 0.017 0.000 0.864 709 S CB 1.307 64.516 63.200 0.015 0.000 1.226 709 S HN 1.563 nan 8.310 nan 0.000 0.541 710 I N 1.303 121.882 120.570 0.016 0.000 2.614 710 I HA -0.093 4.078 4.170 0.000 0.000 0.258 710 I C 0.874 176.999 176.117 0.014 0.000 1.189 710 I CA 1.272 62.581 61.300 0.015 0.000 1.462 710 I CB -0.086 37.923 38.000 0.015 0.000 1.092 710 I HN 0.584 nan 8.210 nan 0.000 0.442 711 D N 1.026 121.434 120.400 0.013 0.000 2.178 711 D HA -0.180 4.460 4.640 0.000 0.000 0.201 711 D C 1.436 177.744 176.300 0.014 0.000 0.980 711 D CA 1.302 55.309 54.000 0.012 0.000 0.842 711 D CB -0.247 40.560 40.800 0.011 0.000 0.948 711 D HN 0.480 nan 8.370 nan 0.000 0.472 712 D N -0.522 119.888 120.400 0.017 0.000 2.347 712 D HA -0.022 4.618 4.640 0.000 0.000 0.215 712 D C 0.264 176.579 176.300 0.025 0.000 0.976 712 D CA 0.453 54.466 54.000 0.022 0.000 0.884 712 D CB -0.002 40.813 40.800 0.025 0.000 0.915 712 D HN -0.027 nan 8.370 nan 0.000 0.526 713 T N 1.098 115.664 114.554 0.019 0.000 2.933 713 T HA 0.170 4.520 4.350 0.000 0.000 0.306 713 T C 0.122 174.829 174.700 0.012 0.000 1.045 713 T CA 0.524 62.633 62.100 0.015 0.000 1.143 713 T CB 0.654 69.528 68.868 0.010 0.000 1.003 713 T HN 0.038 nan 8.240 nan 0.000 0.540 714 E N 1.795 122.000 120.200 0.009 0.000 2.390 714 E HA 0.521 4.871 4.350 0.000 0.000 0.280 714 E C -1.948 174.644 176.600 -0.013 0.000 0.992 714 E CA -0.800 55.602 56.400 0.004 0.000 0.790 714 E CB 1.039 30.750 29.700 0.019 0.000 1.248 714 E HN 0.349 nan 8.360 nan 0.000 0.447 715 L N 3.626 124.839 121.223 -0.017 0.000 2.292 715 L HA 0.599 4.939 4.340 0.000 0.000 0.284 715 L C -1.141 175.705 176.870 -0.040 0.000 1.065 715 L CA -0.218 54.603 54.840 -0.033 0.000 0.806 715 L CB 0.832 42.876 42.059 -0.026 0.000 1.175 715 L HN 0.577 nan 8.230 nan 0.000 0.431 716 I N 5.556 126.083 120.570 -0.071 0.000 2.382 716 I HA 0.304 4.474 4.170 0.000 0.000 0.285 716 I C -0.133 175.937 176.117 -0.078 0.000 1.007 716 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 716 I CB 1.184 39.083 38.000 -0.168 0.000 1.289 716 I HN 0.315 nan 8.210 nan 0.000 0.453 717 K N 5.805 126.175 120.400 -0.049 0.000 2.081 717 K HA 0.516 4.836 4.320 0.000 0.000 0.230 717 K C 0.459 177.030 176.600 -0.048 0.000 1.199 717 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 717 K CB -0.210 32.271 32.500 -0.032 0.000 1.386 717 K HN 0.968 nan 8.250 nan 0.000 0.280 718 G N -0.694 108.065 108.800 -0.068 0.000 2.455 718 G HA2 0.121 4.081 3.960 0.000 0.000 0.223 718 G HA3 0.121 4.081 3.960 0.000 0.000 0.223 718 G C -1.637 173.197 174.900 -0.110 0.000 1.226 718 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 718 G HN 0.086 nan 8.290 nan 0.000 0.478 719 V N 0.445 120.284 119.914 -0.125 0.000 2.588 719 V HA 0.636 4.756 4.120 0.000 0.000 0.304 719 V C -0.806 175.174 176.094 -0.189 0.000 1.042 719 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 719 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 719 V HN 0.608 nan 8.190 nan 0.000 0.425 720 L N 5.211 126.289 121.223 -0.242 0.000 2.255 720 L HA 0.490 4.830 4.340 0.000 0.000 0.289 720 L C -0.091 176.733 176.870 -0.077 0.000 1.046 720 L CA 0.165 54.839 54.840 -0.277 0.000 0.816 720 L CB 1.473 43.244 42.059 -0.480 0.000 1.197 720 L HN 0.438 nan 8.230 nan 0.000 0.427 721 V N 2.685 122.622 119.914 0.038 0.000 2.394 721 V HA 0.236 4.356 4.120 0.000 0.000 0.282 721 V C 0.121 176.294 176.094 0.133 0.000 1.031 721 V CA -0.784 61.556 62.300 0.066 0.000 0.881 721 V CB 1.568 33.448 31.823 0.095 0.000 0.982 721 V HN 0.781 nan 8.190 nan 0.000 0.451 722 D N 3.774 124.229 120.400 0.091 0.000 3.085 722 D HA 0.175 4.815 4.640 0.000 0.000 0.243 722 D C 0.118 176.472 176.300 0.090 0.000 1.232 722 D CA -0.255 53.801 54.000 0.092 0.000 0.913 722 D CB 0.136 40.972 40.800 0.060 0.000 1.108 722 D HN 0.269 nan 8.370 nan 0.000 0.468 723 K N 0.457 120.927 120.400 0.117 0.000 2.409 723 K HA 0.421 4.741 4.320 0.000 0.000 0.252 723 K C 0.352 177.008 176.600 0.093 0.000 1.036 723 K CA -0.651 55.700 56.287 0.107 0.000 0.871 723 K CB 2.262 34.849 32.500 0.146 0.000 1.374 723 K HN 0.308 nan 8.250 nan 0.000 0.459 724 E N 0.734 120.971 120.200 0.062 0.000 2.378 724 E HA 0.394 4.744 4.350 0.000 0.000 0.265 724 E C -0.684 175.924 176.600 0.014 0.000 0.932 724 E CA -0.906 55.515 56.400 0.035 0.000 0.795 724 E CB 1.245 30.958 29.700 0.021 0.000 1.296 724 E HN 0.218 nan 8.360 nan 0.000 0.438 725 R N 1.245 121.744 120.500 -0.002 0.000 2.296 725 R HA 0.108 4.448 4.340 0.000 0.000 0.323 725 R C 1.362 177.653 176.300 -0.015 0.000 1.067 725 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 725 R CB 0.462 30.748 30.300 -0.024 0.000 0.991 725 R HN 0.559 nan 8.270 nan 0.000 0.448 726 V N -0.042 119.859 119.914 -0.022 0.000 2.720 726 V HA -0.075 4.045 4.120 0.000 0.000 0.256 726 V C 0.905 177.000 176.094 0.002 0.000 1.082 726 V CA 1.080 63.373 62.300 -0.011 0.000 1.101 726 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 726 V HN 0.524 nan 8.190 nan 0.000 0.479 727 S N -1.004 114.696 115.700 0.000 0.000 2.526 727 S HA 0.774 5.244 4.470 0.000 0.000 0.293 727 S C 0.844 175.444 174.600 -0.000 0.000 1.092 727 S CA -0.121 58.087 58.200 0.012 0.000 0.980 727 S CB 1.874 65.089 63.200 0.026 0.000 1.048 727 S HN 0.711 nan 8.310 nan 0.000 0.483 728 A N 3.263 126.082 122.820 -0.001 0.000 2.070 728 A HA -0.043 4.277 4.320 0.000 0.000 0.220 728 A C 1.777 179.353 177.584 -0.013 0.000 1.159 728 A CA 1.259 53.290 52.037 -0.009 0.000 0.656 728 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 728 A HN 0.899 nan 8.150 nan 0.000 0.453 729 Q N -1.031 118.762 119.800 -0.012 0.000 2.424 729 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 729 Q C 0.213 176.207 176.000 -0.010 0.000 0.933 729 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 729 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 729 Q HN 0.657 nan 8.270 nan 0.000 0.511 730 M N 1.514 121.108 119.600 -0.010 0.000 2.250 730 M HA 0.223 4.703 4.480 0.000 0.000 0.344 730 M C -2.138 174.153 176.300 -0.014 0.000 1.150 730 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 730 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 730 M HN -0.192 nan 8.290 nan 0.000 0.461 731 P HA -0.020 nan 4.420 nan 0.000 0.269 731 P C -0.157 177.135 177.300 -0.014 0.000 1.211 731 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 731 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 732 K N 1.031 121.423 120.400 -0.013 0.000 2.379 732 K HA 0.056 4.376 4.320 0.000 0.000 0.194 732 K C 0.486 177.079 176.600 -0.012 0.000 1.031 732 K CA 0.808 57.086 56.287 -0.016 0.000 1.037 732 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 732 K HN 0.577 nan 8.250 nan 0.000 0.516 733 K N -0.780 119.617 120.400 -0.005 0.000 2.557 733 K HA 0.381 4.701 4.320 0.000 0.000 0.257 733 K C -1.260 175.345 176.600 0.008 0.000 0.933 733 K CA -0.733 55.556 56.287 0.005 0.000 0.820 733 K CB 1.986 34.487 32.500 0.002 0.000 1.330 733 K HN -0.285 nan 8.250 nan 0.000 0.432 734 V N 2.044 121.969 119.914 0.018 0.000 2.483 734 V HA 0.429 4.549 4.120 0.000 0.000 0.297 734 V C -0.283 175.828 176.094 0.027 0.000 1.027 734 V CA -0.527 61.784 62.300 0.019 0.000 0.855 734 V CB 1.837 33.670 31.823 0.017 0.000 0.995 734 V HN 0.998 nan 8.190 nan 0.000 0.424 735 T N 0.078 114.645 114.554 0.021 0.000 2.929 735 T HA 0.541 4.891 4.350 0.000 0.000 0.284 735 T C 0.125 174.838 174.700 0.021 0.000 1.014 735 T CA -0.276 61.837 62.100 0.022 0.000 1.051 735 T CB 1.296 70.174 68.868 0.016 0.000 1.028 735 T HN 0.769 nan 8.240 nan 0.000 0.485 736 D N 0.337 120.750 120.400 0.022 0.000 2.689 736 D HA -0.153 4.487 4.640 0.000 0.000 0.237 736 D C 0.301 176.616 176.300 0.026 0.000 1.148 736 D CA 0.840 54.852 54.000 0.020 0.000 0.656 736 D CB -1.252 39.557 40.800 0.015 0.000 1.050 736 D HN 1.103 nan 8.370 nan 0.000 0.426 737 A N 1.410 124.251 122.820 0.035 0.000 2.477 737 A HA 0.376 4.696 4.320 0.000 0.000 0.246 737 A C 0.542 178.154 177.584 0.046 0.000 1.078 737 A CA 0.146 52.209 52.037 0.044 0.000 0.770 737 A CB 0.594 19.633 19.000 0.064 0.000 1.011 737 A HN 0.156 nan 8.150 nan 0.000 0.494 738 K N 3.181 123.607 120.400 0.043 0.000 2.347 738 K HA 0.400 4.720 4.320 0.000 0.000 0.262 738 K C -0.940 175.695 176.600 0.058 0.000 1.052 738 K CA 0.157 56.471 56.287 0.044 0.000 0.946 738 K CB 0.927 33.446 32.500 0.031 0.000 1.220 738 K HN 0.638 nan 8.250 nan 0.000 0.450 739 I N 2.031 122.651 120.570 0.083 0.000 2.353 739 I HA 0.287 4.457 4.170 0.000 0.000 0.293 739 I C 0.273 176.458 176.117 0.114 0.000 0.992 739 I CA -0.658 60.722 61.300 0.133 0.000 1.268 739 I CB 1.590 39.710 38.000 0.199 0.000 1.387 739 I HN 0.433 nan 8.210 nan 0.000 0.478 740 A N 7.672 130.564 122.820 0.119 0.000 2.337 740 A HA 0.840 5.160 4.320 0.000 0.000 0.329 740 A C -0.779 176.891 177.584 0.143 0.000 1.146 740 A CA -0.545 51.550 52.037 0.097 0.000 0.800 740 A CB 0.933 19.968 19.000 0.057 0.000 1.220 740 A HN 0.703 nan 8.150 nan 0.000 0.472 741 L N 3.154 124.441 121.223 0.107 0.000 2.345 741 L HA 0.419 4.759 4.340 0.000 0.000 0.274 741 L C -0.980 175.933 176.870 0.072 0.000 0.999 741 L CA -0.090 54.815 54.840 0.108 0.000 0.849 741 L CB 1.024 43.129 42.059 0.075 0.000 1.220 741 L HN 0.564 nan 8.230 nan 0.000 0.422 742 L N 3.353 124.621 121.223 0.075 0.000 2.307 742 L HA 0.381 4.721 4.340 0.000 0.000 0.284 742 L C 0.722 177.621 176.870 0.049 0.000 1.023 742 L CA -0.502 54.368 54.840 0.051 0.000 0.810 742 L CB 1.759 43.844 42.059 0.043 0.000 1.231 742 L HN 0.623 nan 8.230 nan 0.000 0.423 743 N N 0.749 119.470 118.700 0.035 0.000 2.322 743 N HA -0.021 4.719 4.740 0.000 0.000 0.181 743 N C 0.444 175.969 175.510 0.025 0.000 1.088 743 N CA -0.277 52.791 53.050 0.030 0.000 0.885 743 N CB -0.304 38.196 38.487 0.023 0.000 1.013 743 N HN 0.586 nan 8.380 nan 0.000 0.472 744 C N 0.241 119.554 119.300 0.022 0.000 2.595 744 C HA 0.849 5.309 4.460 0.000 0.000 0.384 744 C C 0.949 175.950 174.990 0.019 0.000 1.289 744 C CA -1.450 57.578 59.018 0.018 0.000 2.372 744 C CB -0.178 27.571 27.740 0.015 0.000 2.593 744 C HN 0.479 nan 8.230 nan 0.000 0.639 745 A N 2.431 125.260 122.820 0.015 0.000 2.401 745 A HA 0.596 4.916 4.320 0.000 0.000 0.259 745 A C 0.041 177.632 177.584 0.012 0.000 1.103 745 A CA -0.515 51.530 52.037 0.014 0.000 0.789 745 A CB -0.162 18.844 19.000 0.011 0.000 1.035 745 A HN 0.879 nan 8.150 nan 0.000 0.491 746 I N 2.837 123.413 120.570 0.011 0.000 2.317 746 I HA 0.265 4.435 4.170 0.000 0.000 0.286 746 I C -0.283 175.839 176.117 0.009 0.000 1.119 746 I CA -0.061 61.246 61.300 0.011 0.000 1.228 746 I CB -0.213 37.794 38.000 0.011 0.000 1.476 746 I HN 0.828 nan 8.210 nan 0.000 0.514 747 E N 3.904 124.110 120.200 0.010 0.000 2.445 747 E HA 0.544 4.894 4.350 0.000 0.000 0.273 747 E C -0.693 175.916 176.600 0.016 0.000 0.961 747 E CA -1.045 55.361 56.400 0.010 0.000 0.807 747 E CB 1.126 30.829 29.700 0.004 0.000 1.362 747 E HN 0.094 nan 8.360 nan 0.000 0.453 748 I N 1.465 122.047 120.570 0.020 0.000 2.573 748 I HA 0.071 4.241 4.170 0.000 0.000 0.295 748 I C 0.208 176.337 176.117 0.019 0.000 1.141 748 I CA 0.113 61.428 61.300 0.025 0.000 1.364 748 I CB -0.731 37.288 38.000 0.032 0.000 1.447 748 I HN 0.375 nan 8.210 nan 0.000 0.571 749 K N 7.159 127.569 120.400 0.017 0.000 2.412 749 K HA 0.143 4.463 4.320 0.000 0.000 0.281 749 K C -0.034 176.576 176.600 0.017 0.000 1.027 749 K CA 0.049 56.344 56.287 0.014 0.000 0.989 749 K CB 0.407 32.914 32.500 0.012 0.000 0.935 749 K HN 0.688 nan 8.250 nan 0.000 0.475 750 E N 1.643 121.851 120.200 0.013 0.000 2.227 750 E HA 0.251 4.601 4.350 0.000 0.000 0.268 750 E C -0.746 175.860 176.600 0.010 0.000 0.907 750 E CA -1.110 55.298 56.400 0.013 0.000 0.786 750 E CB 1.371 31.076 29.700 0.008 0.000 1.191 750 E HN 0.487 nan 8.360 nan 0.000 0.411 751 T N 1.060 115.621 114.554 0.011 0.000 2.906 751 T HA -0.038 4.312 4.350 0.000 0.000 0.320 751 T C 0.730 175.433 174.700 0.006 0.000 1.088 751 T CA 0.145 62.250 62.100 0.009 0.000 1.120 751 T CB 0.513 69.387 68.868 0.011 0.000 1.000 751 T HN 0.589 nan 8.240 nan 0.000 0.550 752 E N 1.373 121.577 120.200 0.006 0.000 2.153 752 E HA 0.020 4.370 4.350 0.000 0.000 0.194 752 E C 1.270 177.872 176.600 0.003 0.000 0.988 752 E CA 1.276 57.679 56.400 0.004 0.000 0.811 752 E CB -0.333 29.369 29.700 0.004 0.000 0.746 752 E HN 0.868 nan 8.360 nan 0.000 0.466 753 T N -0.711 113.845 114.554 0.003 0.000 2.868 753 T HA 0.095 4.445 4.350 0.000 0.000 0.292 753 T C 0.206 174.906 174.700 0.000 0.000 1.028 753 T CA -0.916 61.186 62.100 0.002 0.000 1.059 753 T CB 1.074 69.944 68.868 0.004 0.000 0.991 753 T HN -0.174 nan 8.240 nan 0.000 0.531 754 D N 1.067 121.466 120.400 -0.001 0.000 2.382 754 D HA 0.431 5.071 4.640 0.000 0.000 0.259 754 D C -0.345 175.951 176.300 -0.005 0.000 1.224 754 D CA 0.175 54.172 54.000 -0.004 0.000 0.894 754 D CB -0.149 40.648 40.800 -0.005 0.000 1.127 754 D HN 0.938 nan 8.370 nan 0.000 0.487 755 A N 3.704 126.519 122.820 -0.009 0.000 2.587 755 A HA 0.724 5.044 4.320 0.000 0.000 0.293 755 A C -1.061 176.508 177.584 -0.026 0.000 1.087 755 A CA -0.802 51.227 52.037 -0.012 0.000 0.692 755 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 755 A HN 0.614 nan 8.150 nan 0.000 0.407 756 E N 0.492 120.668 120.200 -0.040 0.000 2.392 756 E HA 0.592 4.942 4.350 0.000 0.000 0.279 756 E C -1.597 174.932 176.600 -0.118 0.000 0.964 756 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 756 E CB 1.086 30.747 29.700 -0.065 0.000 1.249 756 E HN 0.317 nan 8.360 nan 0.000 0.449 757 I N 1.798 122.244 120.570 -0.207 0.000 2.556 757 I HA 0.100 4.270 4.170 0.000 0.000 0.284 757 I C 0.175 176.088 176.117 -0.339 0.000 1.114 757 I CA 0.003 61.048 61.300 -0.425 0.000 1.418 757 I CB 0.287 37.857 38.000 -0.717 0.000 1.394 757 I HN 0.343 nan 8.210 nan 0.000 0.552 758 R N 7.058 127.389 120.500 -0.282 0.000 2.332 758 R HA 0.380 4.721 4.340 0.000 0.000 0.306 758 R C -0.674 175.592 176.300 -0.056 0.000 1.117 758 R CA -0.861 55.168 56.100 -0.118 0.000 1.108 758 R CB 0.381 30.665 30.300 -0.027 0.000 1.126 758 R HN 0.418 nan 8.270 nan 0.000 0.548 759 I N 2.692 123.214 120.570 -0.079 0.000 2.648 759 I HA -0.050 4.120 4.170 0.000 0.000 0.284 759 I C 1.707 177.867 176.117 0.071 0.000 1.153 759 I CA 0.790 62.113 61.300 0.038 0.000 1.426 759 I CB 0.638 38.643 38.000 0.008 0.000 1.381 759 I HN 0.536 nan 8.210 nan 0.000 0.571 760 T N -0.118 114.506 114.554 0.116 0.000 2.975 760 T HA 0.218 4.568 4.350 0.000 0.000 0.261 760 T C 0.241 174.978 174.700 0.062 0.000 0.984 760 T CA -0.232 61.915 62.100 0.078 0.000 0.911 760 T CB 0.747 69.664 68.868 0.081 0.000 1.127 760 T HN 0.616 nan 8.240 nan 0.000 0.514 761 D N 0.462 120.906 120.400 0.074 0.000 2.769 761 D HA 0.275 4.915 4.640 0.000 0.000 0.219 761 D C -2.560 173.776 176.300 0.059 0.000 1.245 761 D CA -1.477 52.555 54.000 0.053 0.000 0.801 761 D CB 2.539 43.364 40.800 0.041 0.000 1.598 761 D HN -0.325 nan 8.370 nan 0.000 0.485 762 P HA -0.135 nan 4.420 nan 0.000 0.218 762 P C 0.949 178.275 177.300 0.043 0.000 1.146 762 P CA 1.610 64.733 63.100 0.040 0.000 0.820 762 P CB 0.303 32.019 31.700 0.027 0.000 0.778 763 A N -0.626 122.216 122.820 0.037 0.000 1.873 763 A HA -0.181 4.139 4.320 0.000 0.000 0.215 763 A C 2.128 179.736 177.584 0.039 0.000 1.186 763 A CA 1.722 53.776 52.037 0.029 0.000 0.616 763 A CB -0.937 18.071 19.000 0.014 0.000 0.823 763 A HN 0.027 nan 8.150 nan 0.000 0.442 764 K N -0.523 119.912 120.400 0.059 0.000 2.152 764 K HA -0.077 4.243 4.320 0.000 0.000 0.206 764 K C 1.700 178.448 176.600 0.247 0.000 1.048 764 K CA 0.961 57.306 56.287 0.097 0.000 0.933 764 K CB -0.520 32.074 32.500 0.156 0.000 0.721 764 K HN 0.397 nan 8.250 nan 0.000 0.447 765 L N 0.167 121.507 121.223 0.195 0.000 2.043 765 L HA -0.200 4.140 4.340 0.000 0.000 0.212 765 L C 1.749 178.718 176.870 0.165 0.000 1.075 765 L CA 1.824 56.772 54.840 0.179 0.000 0.752 765 L CB -0.263 41.851 42.059 0.092 0.000 0.891 765 L HN 0.215 nan 8.230 nan 0.000 0.432 766 M N -1.291 118.374 119.600 0.108 0.000 2.236 766 M HA -0.110 4.370 4.480 0.000 0.000 0.266 766 M C 2.211 178.547 176.300 0.061 0.000 1.070 766 M CA 1.275 56.620 55.300 0.074 0.000 1.137 766 M CB -1.090 31.536 32.600 0.044 0.000 1.378 766 M HN 0.395 nan 8.290 nan 0.000 0.426 767 E N 0.068 120.284 120.200 0.026 0.000 2.085 767 E HA -0.189 4.161 4.350 0.000 0.000 0.194 767 E C 1.899 178.445 176.600 -0.090 0.000 0.994 767 E CA 1.280 57.639 56.400 -0.068 0.000 0.801 767 E CB -0.039 29.563 29.700 -0.164 0.000 0.743 767 E HN 0.384 nan 8.360 nan 0.000 0.453 768 F N 0.494 120.449 119.950 0.010 0.000 2.134 768 F HA -0.140 4.387 4.527 0.000 0.000 0.299 768 F C 2.212 178.020 175.800 0.014 0.000 1.097 768 F CA 0.932 58.938 58.000 0.010 0.000 1.264 768 F CB -0.067 38.938 39.000 0.009 0.000 1.001 768 F HN 0.055 nan 8.300 nan 0.000 0.479 769 I N -0.319 120.374 120.570 0.205 0.000 2.226 769 I HA -0.232 3.938 4.170 0.000 0.000 0.245 769 I C 2.254 178.427 176.117 0.093 0.000 1.100 769 I CA 1.141 62.517 61.300 0.127 0.000 1.374 769 I CB -0.371 37.687 38.000 0.096 0.000 1.057 769 I HN 0.095 nan 8.210 nan 0.000 0.413 770 E N 0.279 120.520 120.200 0.069 0.000 2.150 770 E HA -0.257 4.093 4.350 0.000 0.000 0.193 770 E C 2.018 178.636 176.600 0.030 0.000 0.985 770 E CA 0.974 57.401 56.400 0.045 0.000 0.814 770 E CB -0.201 29.513 29.700 0.023 0.000 0.752 770 E HN 0.433 nan 8.360 nan 0.000 0.466 771 Q N 1.202 121.012 119.800 0.017 0.000 2.084 771 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 771 Q C 1.826 177.844 176.000 0.029 0.000 0.978 771 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 771 Q CB 0.039 28.752 28.738 -0.041 0.000 0.898 771 Q HN 0.095 nan 8.270 nan 0.000 0.426 772 E N 0.218 120.458 120.200 0.067 0.000 2.150 772 E HA -0.149 4.201 4.350 0.000 0.000 0.193 772 E C 1.823 178.462 176.600 0.065 0.000 0.985 772 E CA 0.883 57.325 56.400 0.070 0.000 0.814 772 E CB 0.001 29.754 29.700 0.089 0.000 0.752 772 E HN 0.487 nan 8.360 nan 0.000 0.466 773 E N 0.924 121.173 120.200 0.082 0.000 2.072 773 E HA -0.162 4.188 4.350 0.000 0.000 0.191 773 E C 2.024 178.635 176.600 0.018 0.000 0.985 773 E CA 0.738 57.213 56.400 0.125 0.000 0.801 773 E CB -0.147 29.645 29.700 0.153 0.000 0.750 773 E HN 0.222 nan 8.360 nan 0.000 0.452 774 K N 0.506 120.897 120.400 -0.014 0.000 2.057 774 K HA -0.092 4.228 4.320 0.000 0.000 0.207 774 K C 2.282 178.821 176.600 -0.102 0.000 1.049 774 K CA 1.073 57.316 56.287 -0.072 0.000 0.931 774 K CB -0.043 32.431 32.500 -0.042 0.000 0.714 774 K HN 0.014 nan 8.250 nan 0.000 0.440 775 M N 0.428 119.995 119.600 -0.055 0.000 2.065 775 M HA -0.212 4.268 4.480 0.000 0.000 0.259 775 M C 2.214 178.467 176.300 -0.079 0.000 1.069 775 M CA 1.388 56.660 55.300 -0.048 0.000 1.110 775 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 775 M HN 0.191 nan 8.290 nan 0.000 0.405 776 L N 0.226 121.400 121.223 -0.082 0.000 2.109 776 L HA -0.096 4.245 4.340 0.000 0.000 0.207 776 L C 2.279 178.971 176.870 -0.296 0.000 1.086 776 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 776 L CB -0.619 41.475 42.059 0.058 0.000 0.910 776 L HN 0.173 nan 8.230 nan 0.000 0.437 777 K N -0.666 119.351 120.400 -0.638 0.000 2.063 777 K HA -0.204 4.116 4.320 0.000 0.000 0.208 777 K C 1.590 177.958 176.600 -0.386 0.000 1.048 777 K CA 1.819 57.546 56.287 -0.934 0.000 0.928 777 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 777 K HN 0.336 nan 8.250 nan 0.000 0.442 778 D N 0.367 120.625 120.400 -0.237 0.000 2.144 778 D HA -0.128 4.512 4.640 0.000 0.000 0.200 778 D C 1.906 178.148 176.300 -0.096 0.000 0.978 778 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 778 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 778 D HN 0.295 nan 8.370 nan 0.000 0.470 779 M N 0.032 119.575 119.600 -0.093 0.000 2.080 779 M HA -0.155 4.325 4.480 0.000 0.000 0.260 779 M C 2.274 178.550 176.300 -0.040 0.000 1.068 779 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 779 M CB -0.211 32.366 32.600 -0.038 0.000 1.342 779 M HN -0.103 nan 8.290 nan 0.000 0.405 780 V N 0.191 120.073 119.914 -0.054 0.000 2.427 780 V HA -0.199 3.921 4.120 0.000 0.000 0.248 780 V C 2.590 178.670 176.094 -0.022 0.000 1.051 780 V CA 1.800 64.089 62.300 -0.019 0.000 1.048 780 V CB -1.115 30.719 31.823 0.018 0.000 0.666 780 V HN 0.521 nan 8.190 nan 0.000 0.456 781 A N -0.427 122.363 122.820 -0.051 0.000 1.978 781 A HA -0.199 4.121 4.320 0.000 0.000 0.220 781 A C 2.189 179.758 177.584 -0.024 0.000 1.170 781 A CA 1.615 53.629 52.037 -0.037 0.000 0.636 781 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 781 A HN 0.535 nan 8.150 nan 0.000 0.448 782 E N -0.119 120.066 120.200 -0.025 0.000 2.107 782 E HA -0.074 4.276 4.350 0.000 0.000 0.191 782 E C 1.979 178.575 176.600 -0.007 0.000 0.982 782 E CA 0.834 57.225 56.400 -0.015 0.000 0.809 782 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 782 E HN 0.741 nan 8.360 nan 0.000 0.459 783 I N 1.350 121.917 120.570 -0.005 0.000 2.226 783 I HA -0.247 3.923 4.170 0.000 0.000 0.245 783 I C 2.636 178.755 176.117 0.004 0.000 1.100 783 I CA 1.040 62.342 61.300 0.002 0.000 1.374 783 I CB -0.256 37.746 38.000 0.004 0.000 1.057 783 I HN -0.019 nan 8.210 nan 0.000 0.413 784 K N 1.662 122.063 120.400 0.002 0.000 2.057 784 K HA -0.141 4.179 4.320 0.000 0.000 0.207 784 K C 2.125 178.727 176.600 0.003 0.000 1.049 784 K CA 1.759 58.049 56.287 0.004 0.000 0.931 784 K CB -0.242 32.262 32.500 0.005 0.000 0.714 784 K HN 0.296 nan 8.250 nan 0.000 0.440 785 A N 0.624 123.444 122.820 -0.000 0.000 2.019 785 A HA -0.107 4.213 4.320 0.000 0.000 0.219 785 A C 2.202 179.787 177.584 0.003 0.000 1.164 785 A CA 1.962 53.998 52.037 -0.000 0.000 0.644 785 A CB -0.468 18.530 19.000 -0.004 0.000 0.805 785 A HN 0.380 nan 8.150 nan 0.000 0.449 786 S N -1.721 113.982 115.700 0.005 0.000 2.419 786 S HA 0.205 4.675 4.470 0.000 0.000 0.233 786 S C 1.647 176.254 174.600 0.011 0.000 1.016 786 S CA 1.303 59.508 58.200 0.008 0.000 0.974 786 S CB -0.199 63.007 63.200 0.010 0.000 0.786 786 S HN 1.674 nan 8.310 nan 0.000 0.492 787 G N 0.668 109.474 108.800 0.010 0.000 2.179 787 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 787 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 787 G C 0.135 175.043 174.900 0.014 0.000 0.990 787 G CA -0.124 44.983 45.100 0.011 0.000 0.646 787 G HN 0.858 nan 8.290 nan 0.000 0.517 788 A N 0.508 123.337 122.820 0.014 0.000 2.425 788 A HA 0.598 4.918 4.320 0.000 0.000 0.249 788 A C 1.081 178.670 177.584 0.009 0.000 1.084 788 A CA 1.034 53.081 52.037 0.016 0.000 0.781 788 A CB 0.257 19.267 19.000 0.017 0.000 1.019 788 A HN 1.217 nan 8.150 nan 0.000 0.490 789 N N 0.044 118.748 118.700 0.007 0.000 2.067 789 N HA 0.113 4.853 4.740 0.000 0.000 0.227 789 N C -0.857 174.639 175.510 -0.022 0.000 1.348 789 N CA 0.209 53.257 53.050 -0.004 0.000 0.879 789 N CB 0.311 38.800 38.487 0.003 0.000 1.109 789 N HN 0.260 nan 8.380 nan 0.000 0.501 790 V N 1.620 121.521 119.914 -0.021 0.000 2.540 790 V HA 0.620 4.740 4.120 0.000 0.000 0.302 790 V C -1.263 174.776 176.094 -0.092 0.000 1.035 790 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 790 V CB 1.881 33.703 31.823 -0.002 0.000 0.992 790 V HN 0.217 nan 8.190 nan 0.000 0.428 791 L N 5.291 126.366 121.223 -0.247 0.000 2.438 791 L HA 0.732 5.072 4.340 0.000 0.000 0.270 791 L C -1.659 174.976 176.870 -0.391 0.000 0.972 791 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 791 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 791 L HN 0.466 nan 8.230 nan 0.000 0.405 792 F N 4.558 124.518 119.950 0.017 0.000 2.449 792 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 792 F C 0.008 175.816 175.800 0.013 0.000 1.127 792 F CA -0.410 57.599 58.000 0.016 0.000 0.975 792 F CB 1.701 40.711 39.000 0.016 0.000 1.146 792 F HN 0.565 nan 8.300 nan 0.000 0.444 793 C N 4.737 124.129 119.300 0.154 0.000 2.322 793 C HA 0.276 4.736 4.460 0.000 0.000 0.324 793 C C 1.522 176.569 174.990 0.096 0.000 1.284 793 C CA -0.418 58.658 59.018 0.096 0.000 1.606 793 C CB 0.982 28.751 27.740 0.049 0.000 2.251 793 C HN 0.958 nan 8.230 nan 0.000 0.502 794 Q N 3.104 122.948 119.800 0.074 0.000 2.119 794 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 794 Q C 0.818 176.843 176.000 0.042 0.000 0.972 794 Q CA 1.588 57.424 55.803 0.055 0.000 0.847 794 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 794 Q HN 0.756 nan 8.270 nan 0.000 0.433 795 K N -1.067 119.354 120.400 0.036 0.000 2.520 795 K HA 0.416 4.737 4.320 0.000 0.000 0.256 795 K C 0.327 176.942 176.600 0.025 0.000 1.033 795 K CA -0.183 56.120 56.287 0.026 0.000 1.007 795 K CB 0.071 32.583 32.500 0.020 0.000 1.330 795 K HN 0.102 nan 8.250 nan 0.000 0.507 796 G N 0.351 109.161 108.800 0.017 0.000 2.569 796 G HA2 0.387 4.347 3.960 0.000 0.000 0.249 796 G HA3 0.387 4.347 3.960 0.000 0.000 0.249 796 G C -0.486 174.418 174.900 0.006 0.000 1.216 796 G CA -0.497 44.609 45.100 0.010 0.000 0.845 796 G HN 0.367 nan 8.290 nan 0.000 0.568 797 I N 0.918 121.487 120.570 -0.003 0.000 2.439 797 I HA 0.150 4.320 4.170 0.000 0.000 0.285 797 I C -0.410 175.689 176.117 -0.031 0.000 1.021 797 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 797 I CB 1.934 39.926 38.000 -0.014 0.000 1.242 797 I HN 0.422 nan 8.210 nan 0.000 0.439 798 D N 5.229 125.608 120.400 -0.034 0.000 2.455 798 D HA -0.054 4.586 4.640 0.000 0.000 0.241 798 D C 0.668 176.890 176.300 -0.130 0.000 1.138 798 D CA 0.175 54.138 54.000 -0.061 0.000 0.877 798 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 798 D HN 0.480 nan 8.370 nan 0.000 0.451 799 D N 2.861 123.152 120.400 -0.182 0.000 2.172 799 D HA -0.202 4.438 4.640 0.000 0.000 0.196 799 D C 1.746 177.553 176.300 -0.820 0.000 0.999 799 D CA 0.667 54.445 54.000 -0.370 0.000 0.856 799 D CB 0.006 40.642 40.800 -0.273 0.000 0.934 799 D HN 0.371 nan 8.370 nan 0.000 0.453 800 L N 0.621 121.525 121.223 -0.532 0.000 2.083 800 L HA -0.070 4.270 4.340 0.000 0.000 0.209 800 L C 2.105 178.856 176.870 -0.199 0.000 1.083 800 L CA 1.723 56.310 54.840 -0.423 0.000 0.752 800 L CB -0.697 41.304 42.059 -0.095 0.000 0.899 800 L HN -0.013 nan 8.230 nan 0.000 0.433 801 A N -1.172 121.611 122.820 -0.061 0.000 1.933 801 A HA -0.241 4.079 4.320 0.000 0.000 0.218 801 A C 2.167 179.769 177.584 0.030 0.000 1.175 801 A CA 1.695 53.777 52.037 0.074 0.000 0.628 801 A CB -0.537 18.486 19.000 0.038 0.000 0.814 801 A HN 0.651 nan 8.150 nan 0.000 0.444 802 Q N -1.054 118.698 119.800 -0.081 0.000 2.170 802 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 802 Q C 1.786 177.814 176.000 0.047 0.000 0.976 802 Q CA 1.563 57.346 55.803 -0.033 0.000 0.858 802 Q CB -0.339 28.366 28.738 -0.053 0.000 0.907 802 Q HN 0.891 nan 8.270 nan 0.000 0.433 803 H N -1.342 117.669 119.070 -0.098 0.000 2.389 803 H HA -0.124 4.432 4.556 0.000 0.000 0.299 803 H C 1.306 176.519 175.328 -0.192 0.000 1.081 803 H CA 1.030 56.962 56.048 -0.194 0.000 1.345 803 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 803 H HN 0.305 nan 8.280 nan 0.000 0.520 804 Y N 0.384 120.750 120.300 0.109 0.000 2.365 804 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 804 Y C 2.404 178.322 175.900 0.029 0.000 1.119 804 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 804 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 804 Y HN 0.072 nan 8.280 nan 0.000 0.549 805 L N -0.616 120.707 121.223 0.166 0.000 2.083 805 L HA -0.246 4.094 4.340 0.000 0.000 0.209 805 L C 2.649 179.552 176.870 0.055 0.000 1.083 805 L CA 1.069 55.959 54.840 0.083 0.000 0.752 805 L CB -0.630 41.455 42.059 0.044 0.000 0.899 805 L HN 0.240 nan 8.230 nan 0.000 0.433 806 A N -0.164 122.688 122.820 0.053 0.000 1.969 806 A HA -0.238 4.082 4.320 0.000 0.000 0.218 806 A C 2.372 179.975 177.584 0.032 0.000 1.169 806 A CA 1.696 53.752 52.037 0.031 0.000 0.635 806 A CB -0.384 18.630 19.000 0.023 0.000 0.810 806 A HN 0.322 nan 8.150 nan 0.000 0.445 807 K N -0.367 120.068 120.400 0.058 0.000 2.097 807 K HA -0.145 4.175 4.320 0.000 0.000 0.206 807 K C 1.030 177.658 176.600 0.047 0.000 1.049 807 K CA 1.511 57.834 56.287 0.060 0.000 0.933 807 K CB -0.002 32.565 32.500 0.112 0.000 0.717 807 K HN 0.353 nan 8.250 nan 0.000 0.442 808 E N -0.760 119.469 120.200 0.048 0.000 2.474 808 E HA 0.059 4.409 4.350 0.000 0.000 0.195 808 E C 0.603 177.215 176.600 0.018 0.000 1.039 808 E CA 0.628 57.047 56.400 0.031 0.000 0.881 808 E CB 0.880 30.599 29.700 0.031 0.000 0.970 808 E HN 0.540 nan 8.360 nan 0.000 0.486 809 G N 2.118 110.927 108.800 0.016 0.000 2.176 809 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 809 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 809 G C 0.231 175.129 174.900 -0.002 0.000 1.024 809 G CA 0.108 45.211 45.100 0.005 0.000 0.755 809 G HN 0.273 nan 8.290 nan 0.000 0.507 810 I N 0.993 121.562 120.570 -0.002 0.000 2.352 810 I HA 0.378 4.548 4.170 0.000 0.000 0.290 810 I C 1.124 177.219 176.117 -0.037 0.000 1.036 810 I CA -0.956 60.333 61.300 -0.017 0.000 1.336 810 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 810 I HN 0.165 nan 8.210 nan 0.000 0.497 811 V N 4.069 123.946 119.914 -0.061 0.000 2.546 811 V HA 0.889 5.009 4.120 0.000 0.000 0.284 811 V C 0.116 176.108 176.094 -0.170 0.000 1.050 811 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 811 V CB 1.118 32.888 31.823 -0.088 0.000 0.990 811 V HN 0.830 nan 8.190 nan 0.000 0.474 812 A N 3.709 126.424 122.820 -0.174 0.000 2.539 812 A HA 1.020 5.340 4.320 0.000 0.000 0.296 812 A C -0.357 177.100 177.584 -0.212 0.000 1.073 812 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 812 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 812 A HN 2.417 nan 8.150 nan 0.000 0.405 813 A N 1.525 124.193 122.820 -0.253 0.000 2.381 813 A HA 0.740 5.060 4.320 0.000 0.000 0.299 813 A C -0.092 177.499 177.584 0.012 0.000 1.049 813 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 813 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 813 A HN 1.276 nan 8.150 nan 0.000 0.428 814 R N 2.020 122.538 120.500 0.029 0.000 2.602 814 R HA 0.696 5.036 4.340 0.000 0.000 0.237 814 R C 0.374 176.711 176.300 0.062 0.000 1.219 814 R CA -0.152 55.973 56.100 0.042 0.000 1.121 814 R CB 0.340 30.650 30.300 0.017 0.000 1.408 814 R HN 1.067 nan 8.270 nan 0.000 0.559 815 R N -1.199 119.331 120.500 0.049 0.000 3.502 815 R HA -0.130 4.210 4.340 0.000 0.000 0.266 815 R C -1.234 175.099 176.300 0.056 0.000 1.077 815 R CA 0.707 56.833 56.100 0.044 0.000 0.718 815 R CB -2.558 27.762 30.300 0.032 0.000 1.120 815 R HN 0.291 nan 8.270 nan 0.000 0.457 816 V N 1.281 121.241 119.914 0.077 0.000 2.614 816 V HA 0.082 4.202 4.120 0.000 0.000 0.291 816 V C 1.178 177.297 176.094 0.042 0.000 1.049 816 V CA -0.178 62.171 62.300 0.081 0.000 1.038 816 V CB 1.411 33.311 31.823 0.129 0.000 0.980 816 V HN 0.329 nan 8.190 nan 0.000 0.481 817 K N 3.069 123.483 120.400 0.024 0.000 2.448 817 K HA 0.025 4.345 4.320 0.000 0.000 0.278 817 K C 1.174 177.774 176.600 -0.001 0.000 1.009 817 K CA -0.291 56.001 56.287 0.009 0.000 0.995 817 K CB 0.526 33.027 32.500 0.001 0.000 0.917 817 K HN 0.616 nan 8.250 nan 0.000 0.481 818 K N 2.307 122.708 120.400 0.001 0.000 2.113 818 K HA -0.188 4.132 4.320 0.000 0.000 0.208 818 K C 1.853 178.443 176.600 -0.016 0.000 1.047 818 K CA 2.126 58.411 56.287 -0.004 0.000 0.928 818 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 818 K HN 0.580 nan 8.250 nan 0.000 0.446 819 S N 0.164 115.853 115.700 -0.018 0.000 2.370 819 S HA -0.154 4.316 4.470 0.000 0.000 0.226 819 S C 1.344 175.919 174.600 -0.042 0.000 1.033 819 S CA 1.758 59.943 58.200 -0.026 0.000 1.011 819 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 819 S HN 0.427 nan 8.310 nan 0.000 0.457 820 D N 0.417 120.787 120.400 -0.050 0.000 2.234 820 D HA 0.025 4.665 4.640 0.000 0.000 0.205 820 D C 1.929 178.158 176.300 -0.118 0.000 0.962 820 D CA 0.607 54.556 54.000 -0.085 0.000 0.855 820 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 820 D HN 0.390 nan 8.370 nan 0.000 0.500 821 M N 0.748 120.300 119.600 -0.080 0.000 2.159 821 M HA -0.097 4.383 4.480 0.000 0.000 0.263 821 M C 1.827 178.088 176.300 -0.064 0.000 1.063 821 M CA 1.231 56.487 55.300 -0.072 0.000 1.110 821 M CB -0.722 31.866 32.600 -0.020 0.000 1.374 821 M HN 0.071 nan 8.290 nan 0.000 0.411 822 E N -0.075 120.095 120.200 -0.051 0.000 2.112 822 E HA -0.126 4.224 4.350 0.000 0.000 0.190 822 E C 2.016 178.584 176.600 -0.054 0.000 0.979 822 E CA 0.789 57.164 56.400 -0.042 0.000 0.814 822 E CB 0.016 29.698 29.700 -0.030 0.000 0.762 822 E HN 0.492 nan 8.360 nan 0.000 0.460 823 K N 0.575 120.932 120.400 -0.070 0.000 2.148 823 K HA -0.075 4.245 4.320 0.000 0.000 0.204 823 K C 2.100 178.642 176.600 -0.098 0.000 1.050 823 K CA 0.751 56.991 56.287 -0.078 0.000 0.942 823 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 823 K HN 0.098 nan 8.250 nan 0.000 0.446 824 L N 0.286 121.428 121.223 -0.136 0.000 2.072 824 L HA -0.131 4.209 4.340 0.000 0.000 0.205 824 L C 2.559 179.376 176.870 -0.088 0.000 1.079 824 L CA 0.968 55.710 54.840 -0.164 0.000 0.752 824 L CB -0.506 41.376 42.059 -0.295 0.000 0.906 824 L HN 0.182 nan 8.230 nan 0.000 0.436 825 A N 0.196 122.979 122.820 -0.062 0.000 1.902 825 A HA -0.208 4.112 4.320 0.000 0.000 0.217 825 A C 2.328 179.900 177.584 -0.020 0.000 1.181 825 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 825 A CB -0.286 18.702 19.000 -0.019 0.000 0.818 825 A HN 0.306 nan 8.150 nan 0.000 0.443 826 K N -0.433 119.951 120.400 -0.028 0.000 2.031 826 K HA 0.028 4.348 4.320 0.000 0.000 0.205 826 K C 2.386 178.978 176.600 -0.013 0.000 1.049 826 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 826 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 826 K HN 0.416 nan 8.250 nan 0.000 0.438 827 A N 1.187 123.990 122.820 -0.028 0.000 1.855 827 A HA -0.146 4.174 4.320 0.000 0.000 0.215 827 A C 2.304 179.882 177.584 -0.011 0.000 1.191 827 A CA 2.225 54.247 52.037 -0.025 0.000 0.613 827 A CB -1.061 17.910 19.000 -0.049 0.000 0.829 827 A HN 0.469 nan 8.150 nan 0.000 0.442 828 T N -4.240 110.305 114.554 -0.015 0.000 3.043 828 T HA 0.352 4.702 4.350 0.000 0.000 0.263 828 T C 1.459 176.170 174.700 0.019 0.000 1.094 828 T CA 1.237 63.339 62.100 0.004 0.000 1.127 828 T CB -0.183 68.690 68.868 0.008 0.000 0.905 828 T HN 1.813 nan 8.240 nan 0.000 0.490 829 G N 1.441 110.250 108.800 0.016 0.000 2.143 829 G HA2 -0.037 3.924 3.960 0.000 0.000 0.248 829 G HA3 -0.037 3.924 3.960 0.000 0.000 0.248 829 G C 0.259 175.172 174.900 0.022 0.000 0.991 829 G CA 0.023 45.136 45.100 0.022 0.000 0.689 829 G HN 1.209 nan 8.290 nan 0.000 0.522 830 A N -0.385 122.447 122.820 0.019 0.000 2.445 830 A HA 0.594 4.914 4.320 0.000 0.000 0.242 830 A C 0.378 177.975 177.584 0.021 0.000 1.075 830 A CA 0.611 52.664 52.037 0.028 0.000 0.777 830 A CB 0.397 19.419 19.000 0.038 0.000 1.013 830 A HN 0.912 nan 8.150 nan 0.000 0.493 831 N N 1.427 120.142 118.700 0.025 0.000 2.417 831 N HA 0.400 5.140 4.740 0.000 0.000 0.274 831 N C -0.867 174.657 175.510 0.023 0.000 0.987 831 N CA -0.373 52.688 53.050 0.019 0.000 0.912 831 N CB 1.316 39.814 38.487 0.017 0.000 1.177 831 N HN 0.334 nan 8.380 nan 0.000 0.490 832 V N 4.058 123.983 119.914 0.019 0.000 2.540 832 V HA 0.101 4.221 4.120 0.000 0.000 0.297 832 V C 0.487 176.594 176.094 0.021 0.000 1.024 832 V CA 0.151 62.464 62.300 0.022 0.000 1.105 832 V CB -0.129 31.704 31.823 0.016 0.000 0.938 832 V HN 0.591 nan 8.190 nan 0.000 0.482 833 I N 4.287 124.872 120.570 0.025 0.000 2.740 833 I HA 0.472 4.642 4.170 0.000 0.000 0.303 833 I C 1.108 177.236 176.117 0.020 0.000 1.044 833 I CA 0.323 61.636 61.300 0.020 0.000 1.064 833 I CB 2.433 40.446 38.000 0.021 0.000 1.249 833 I HN 0.784 nan 8.210 nan 0.000 0.433 834 T N 2.353 116.916 114.554 0.015 0.000 2.904 834 T HA 0.187 4.537 4.350 0.000 0.000 0.243 834 T C 0.781 175.488 174.700 0.013 0.000 1.024 834 T CA 0.283 62.391 62.100 0.014 0.000 1.158 834 T CB -0.340 68.534 68.868 0.011 0.000 0.867 834 T HN 0.429 nan 8.240 nan 0.000 0.429 835 N N 0.630 119.336 118.700 0.010 0.000 2.456 835 N HA 0.364 5.104 4.740 0.000 0.000 0.288 835 N C 0.950 176.465 175.510 0.009 0.000 1.059 835 N CA -0.585 52.470 53.050 0.008 0.000 0.946 835 N CB 1.108 39.598 38.487 0.006 0.000 1.150 835 N HN 0.288 nan 8.380 nan 0.000 0.479 836 I N 2.203 122.778 120.570 0.007 0.000 2.264 836 I HA -0.235 3.935 4.170 0.000 0.000 0.248 836 I C 1.955 178.074 176.117 0.002 0.000 1.111 836 I CA 0.899 62.202 61.300 0.005 0.000 1.382 836 I CB 0.028 38.029 38.000 0.002 0.000 1.060 836 I HN 0.450 nan 8.210 nan 0.000 0.418 837 K N 0.406 120.806 120.400 0.000 0.000 2.211 837 K HA -0.156 4.164 4.320 0.000 0.000 0.203 837 K C 1.423 178.024 176.600 0.001 0.000 1.050 837 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 837 K CB -0.322 32.177 32.500 -0.003 0.000 0.732 837 K HN 0.335 nan 8.250 nan 0.000 0.451 838 D N 0.583 120.985 120.400 0.004 0.000 2.249 838 D HA -0.064 4.576 4.640 0.000 0.000 0.205 838 D C 0.578 176.883 176.300 0.008 0.000 0.962 838 D CA 0.032 54.036 54.000 0.006 0.000 0.860 838 D CB -0.170 40.634 40.800 0.007 0.000 0.955 838 D HN -0.014 nan 8.370 nan 0.000 0.505 839 L N 1.581 122.810 121.223 0.010 0.000 2.628 839 L HA 0.024 4.364 4.340 0.000 0.000 0.274 839 L C 0.328 177.205 176.870 0.011 0.000 1.209 839 L CA 0.236 55.083 54.840 0.013 0.000 0.930 839 L CB 0.042 42.110 42.059 0.015 0.000 1.183 839 L HN -0.056 nan 8.230 nan 0.000 0.492 840 S N 3.355 119.063 115.700 0.013 0.000 2.704 840 S HA 0.800 5.270 4.470 0.000 0.000 0.296 840 S C 0.853 175.462 174.600 0.015 0.000 1.138 840 S CA -0.388 57.819 58.200 0.011 0.000 0.875 840 S CB 1.263 64.469 63.200 0.010 0.000 1.151 840 S HN 0.812 nan 8.310 nan 0.000 0.500 841 A N 0.516 123.344 122.820 0.014 0.000 1.978 841 A HA -0.089 4.231 4.320 0.000 0.000 0.220 841 A C 2.026 179.621 177.584 0.017 0.000 1.170 841 A CA 1.376 53.422 52.037 0.016 0.000 0.636 841 A CB -0.925 18.083 19.000 0.014 0.000 0.810 841 A HN 0.738 nan 8.150 nan 0.000 0.448 842 Q N 0.066 119.875 119.800 0.015 0.000 2.437 842 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 842 Q C 0.642 176.653 176.000 0.017 0.000 0.972 842 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 842 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 842 Q HN 0.682 nan 8.270 nan 0.000 0.486 843 D N -0.280 120.131 120.400 0.019 0.000 2.346 843 D HA 0.076 4.716 4.640 0.000 0.000 0.206 843 D C 0.489 176.806 176.300 0.029 0.000 1.001 843 D CA 0.093 54.106 54.000 0.022 0.000 0.871 843 D CB 0.648 41.461 40.800 0.021 0.000 0.943 843 D HN 0.198 nan 8.370 nan 0.000 0.518 844 L N 1.031 122.272 121.223 0.030 0.000 2.380 844 L HA 0.381 4.721 4.340 0.000 0.000 0.273 844 L C 1.154 178.047 176.870 0.038 0.000 1.138 844 L CA -0.452 54.410 54.840 0.037 0.000 0.832 844 L CB 1.214 43.294 42.059 0.034 0.000 1.124 844 L HN -0.143 nan 8.230 nan 0.000 0.454 845 G N 1.206 110.033 108.800 0.046 0.000 2.491 845 G HA2 0.456 4.416 3.960 0.000 0.000 0.327 845 G HA3 0.456 4.416 3.960 0.000 0.000 0.327 845 G C -1.188 173.739 174.900 0.045 0.000 1.189 845 G CA -0.489 44.636 45.100 0.042 0.000 0.956 845 G HN 0.533 nan 8.290 nan 0.000 0.491 846 D N -0.171 120.251 120.400 0.038 0.000 2.248 846 D HA 0.594 5.234 4.640 0.000 0.000 0.246 846 D C -0.354 175.964 176.300 0.030 0.000 1.027 846 D CA 0.029 54.049 54.000 0.033 0.000 0.853 846 D CB 2.078 42.893 40.800 0.025 0.000 1.243 846 D HN 0.553 nan 8.370 nan 0.000 0.462 847 A N 0.588 123.430 122.820 0.037 0.000 2.398 847 A HA 0.604 4.924 4.320 0.000 0.000 0.301 847 A C 0.997 178.600 177.584 0.031 0.000 1.041 847 A CA -0.486 51.573 52.037 0.036 0.000 0.711 847 A CB 1.656 20.694 19.000 0.063 0.000 1.240 847 A HN 0.515 nan 8.150 nan 0.000 0.420 848 G N 0.653 109.464 108.800 0.019 0.000 2.422 848 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 848 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 848 G C 0.326 175.243 174.900 0.029 0.000 1.146 848 G CA 1.690 46.800 45.100 0.016 0.000 0.769 848 G HN 1.136 nan 8.290 nan 0.000 0.547 849 L N -0.072 121.177 121.223 0.043 0.000 2.505 849 L HA 0.599 4.939 4.340 0.000 0.000 0.266 849 L C -1.313 175.608 176.870 0.084 0.000 0.954 849 L CA -0.753 54.120 54.840 0.056 0.000 0.852 849 L CB 2.503 44.594 42.059 0.053 0.000 1.282 849 L HN -0.143 nan 8.230 nan 0.000 0.403 850 V N 4.486 124.453 119.914 0.089 0.000 2.350 850 V HA 0.633 4.753 4.120 0.000 0.000 0.285 850 V C -0.411 175.740 176.094 0.095 0.000 1.014 850 V CA -0.420 61.954 62.300 0.124 0.000 0.831 850 V CB 1.322 33.229 31.823 0.140 0.000 1.000 850 V HN 0.823 nan 8.190 nan 0.000 0.433 851 E N 3.214 123.480 120.200 0.110 0.000 2.308 851 E HA 0.391 4.741 4.350 0.000 0.000 0.275 851 E C -0.965 175.642 176.600 0.012 0.000 0.890 851 E CA -0.681 55.747 56.400 0.047 0.000 0.754 851 E CB 2.169 31.884 29.700 0.024 0.000 1.207 851 E HN 0.734 nan 8.360 nan 0.000 0.426 852 E N 4.133 124.318 120.200 -0.026 0.000 2.180 852 E HA 0.217 4.567 4.350 0.000 0.000 0.283 852 E C -0.896 175.612 176.600 -0.153 0.000 1.061 852 E CA -0.152 56.211 56.400 -0.061 0.000 0.861 852 E CB 0.641 30.322 29.700 -0.032 0.000 1.056 852 E HN 0.335 nan 8.360 nan 0.000 0.407 853 R N 3.680 124.008 120.500 -0.287 0.000 2.686 853 R HA 0.396 4.736 4.340 0.000 0.000 0.283 853 R C -0.802 175.323 176.300 -0.292 0.000 0.978 853 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 853 R CB 2.006 31.875 30.300 -0.718 0.000 1.192 853 R HN 0.325 nan 8.270 nan 0.000 0.457 854 K N 2.391 122.678 120.400 -0.188 0.000 2.213 854 K HA 0.414 4.734 4.320 0.000 0.000 0.270 854 K C -0.773 175.776 176.600 -0.085 0.000 1.002 854 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 854 K CB 1.273 33.735 32.500 -0.063 0.000 1.093 854 K HN 0.296 nan 8.250 nan 0.000 0.454 855 I N 1.947 122.494 120.570 -0.038 0.000 2.390 855 I HA 0.086 4.256 4.170 0.000 0.000 0.283 855 I C 0.044 176.171 176.117 0.015 0.000 1.016 855 I CA -0.178 61.126 61.300 0.006 0.000 1.151 855 I CB 1.675 39.718 38.000 0.070 0.000 1.293 855 I HN 0.578 nan 8.210 nan 0.000 0.458 856 S N 4.471 120.176 115.700 0.009 0.000 3.581 856 S HA -0.193 4.277 4.470 0.000 0.000 0.354 856 S C 1.362 175.965 174.600 0.005 0.000 1.059 856 S CA 1.065 59.270 58.200 0.009 0.000 1.060 856 S CB -1.330 61.880 63.200 0.016 0.000 0.908 856 S HN 1.457 nan 8.310 nan 0.000 0.475 857 G N 0.439 109.238 108.800 -0.002 0.000 2.358 857 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 857 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 857 G C -0.365 174.532 174.900 -0.004 0.000 1.073 857 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 857 G HN 0.607 nan 8.290 nan 0.000 0.509 858 D N 1.881 122.284 120.400 0.006 0.000 2.412 858 D HA 0.386 5.026 4.640 0.000 0.000 0.257 858 D C 0.476 176.781 176.300 0.008 0.000 1.217 858 D CA 0.900 54.908 54.000 0.014 0.000 0.897 858 D CB 1.405 42.222 40.800 0.028 0.000 1.132 858 D HN 0.276 nan 8.370 nan 0.000 0.493 859 S N 3.434 119.137 115.700 0.005 0.000 2.481 859 S HA 0.368 4.838 4.470 0.000 0.000 0.276 859 S C -0.141 174.476 174.600 0.028 0.000 1.247 859 S CA -0.425 57.772 58.200 -0.005 0.000 1.053 859 S CB 0.149 63.346 63.200 -0.005 0.000 0.925 859 S HN 0.315 nan 8.310 nan 0.000 0.491 860 M N 4.436 124.049 119.600 0.023 0.000 2.619 860 M HA 0.534 5.014 4.480 0.000 0.000 0.297 860 M C -1.068 175.304 176.300 0.121 0.000 1.229 860 M CA -0.652 54.723 55.300 0.125 0.000 0.860 860 M CB 2.151 34.921 32.600 0.285 0.000 1.741 860 M HN 0.441 nan 8.290 nan 0.000 0.462 861 I N 1.998 122.715 120.570 0.246 0.000 2.330 861 I HA 0.337 4.507 4.170 0.000 0.000 0.289 861 I C -1.261 175.148 176.117 0.488 0.000 1.001 861 I CA -0.458 61.010 61.300 0.279 0.000 1.193 861 I CB 0.897 39.060 38.000 0.272 0.000 1.345 861 I HN 0.391 nan 8.210 nan 0.000 0.461 862 F N 6.256 126.246 119.950 0.066 0.000 2.391 862 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 862 F C 0.227 176.062 175.800 0.058 0.000 1.122 862 F CA -0.994 57.033 58.000 0.045 0.000 1.120 862 F CB 1.309 40.326 39.000 0.028 0.000 1.142 862 F HN 0.001 nan 8.300 nan 0.000 0.483 863 V N 4.915 124.927 119.914 0.163 0.000 2.311 863 V HA 0.363 4.483 4.120 0.000 0.000 0.275 863 V C -0.247 175.870 176.094 0.039 0.000 1.022 863 V CA -0.577 61.785 62.300 0.104 0.000 0.830 863 V CB 0.695 32.551 31.823 0.054 0.000 1.012 863 V HN 0.786 nan 8.190 nan 0.000 0.452 864 E N 3.317 123.552 120.200 0.058 0.000 2.433 864 E HA 0.679 5.029 4.350 0.000 0.000 0.273 864 E C -0.819 175.793 176.600 0.020 0.000 0.950 864 E CA -0.911 55.506 56.400 0.027 0.000 0.796 864 E CB 1.754 31.486 29.700 0.053 0.000 1.330 864 E HN 0.231 nan 8.360 nan 0.000 0.455 865 E N -0.944 119.256 120.200 0.001 0.000 2.596 865 E HA -0.141 4.209 4.350 0.000 0.000 0.272 865 E C -0.704 175.880 176.600 -0.026 0.000 1.039 865 E CA 0.477 56.871 56.400 -0.011 0.000 0.804 865 E CB -2.406 27.295 29.700 0.001 0.000 1.373 865 E HN 0.597 nan 8.360 nan 0.000 0.404 866 C N 0.814 120.095 119.300 -0.031 0.000 2.679 866 C HA 0.049 4.509 4.460 0.000 0.000 0.417 866 C C 2.285 177.223 174.990 -0.086 0.000 1.302 866 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 866 C CB 0.357 28.080 27.740 -0.029 0.000 2.715 866 C HN 0.389 nan 8.230 nan 0.000 0.628 867 K N 0.859 121.193 120.400 -0.110 0.000 1.973 867 K HA -0.068 4.252 4.320 0.000 0.000 0.212 867 K C 0.448 176.753 176.600 -0.491 0.000 1.047 867 K CA 1.303 57.425 56.287 -0.276 0.000 0.937 867 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 867 K HN 0.686 nan 8.250 nan 0.000 0.440 868 H N 0.389 119.457 119.070 -0.002 0.000 2.380 868 H HA 0.244 4.800 4.556 0.000 0.000 0.231 868 H C -2.501 172.821 175.328 -0.009 0.000 1.415 868 H CA -1.982 54.063 56.048 -0.005 0.000 1.433 868 H CB 0.649 30.409 29.762 -0.004 0.000 1.544 868 H HN 0.197 nan 8.280 nan 0.000 0.503 869 P HA 0.138 nan 4.420 nan 0.000 0.275 869 P C 0.380 177.695 177.300 0.024 0.000 1.227 869 P CA -0.527 62.585 63.100 0.021 0.000 0.781 869 P CB 1.843 33.537 31.700 -0.010 0.000 0.906 870 K N 0.619 121.026 120.400 0.010 0.000 2.373 870 K HA 0.460 4.780 4.320 0.000 0.000 0.202 870 K C 0.185 176.778 176.600 -0.012 0.000 1.025 870 K CA 0.042 56.330 56.287 0.003 0.000 1.115 870 K CB 0.530 33.031 32.500 0.001 0.000 0.858 870 K HN 0.574 nan 8.250 nan 0.000 0.525 871 A N -0.205 122.603 122.820 -0.020 0.000 2.520 871 A HA 0.715 5.036 4.320 0.000 0.000 0.298 871 A C -1.612 175.947 177.584 -0.041 0.000 1.051 871 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 871 A CB 1.775 20.749 19.000 -0.043 0.000 1.281 871 A HN -0.051 nan 8.150 nan 0.000 0.402 872 V N 0.867 120.754 119.914 -0.046 0.000 3.007 872 V HA 0.852 4.972 4.120 0.000 0.000 0.311 872 V C -0.801 175.252 176.094 -0.068 0.000 1.120 872 V CA -0.153 62.115 62.300 -0.054 0.000 0.980 872 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 872 V HN 1.084 nan 8.190 nan 0.000 0.429 873 T N 6.601 121.101 114.554 -0.089 0.000 2.848 873 T HA 0.498 4.848 4.350 0.000 0.000 0.285 873 T C -0.608 174.030 174.700 -0.103 0.000 0.995 873 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 873 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 873 T HN 0.751 nan 8.240 nan 0.000 0.441 874 M N 4.539 124.091 119.600 -0.081 0.000 2.114 874 M HA 0.571 5.051 4.480 0.000 0.000 0.332 874 M C -1.559 174.705 176.300 -0.060 0.000 1.014 874 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 874 M CB 0.726 33.302 32.600 -0.040 0.000 1.551 874 M HN 0.493 nan 8.290 nan 0.000 0.427 875 L N 7.517 128.706 121.223 -0.058 0.000 2.257 875 L HA 0.561 4.901 4.340 0.000 0.000 0.290 875 L C -1.409 175.458 176.870 -0.005 0.000 1.044 875 L CA 0.026 54.846 54.840 -0.034 0.000 0.810 875 L CB 0.680 42.723 42.059 -0.027 0.000 1.193 875 L HN 0.697 nan 8.230 nan 0.000 0.425 876 I N 5.897 126.466 120.570 -0.001 0.000 2.336 876 I HA 0.495 4.665 4.170 0.000 0.000 0.292 876 I C 0.060 176.186 176.117 0.015 0.000 0.991 876 I CA -0.665 60.638 61.300 0.006 0.000 1.227 876 I CB 0.800 38.801 38.000 0.000 0.000 1.366 876 I HN 0.550 nan 8.210 nan 0.000 0.466 877 R N 3.963 124.474 120.500 0.019 0.000 2.902 877 R HA 0.912 5.252 4.340 0.000 0.000 0.258 877 R C -0.271 176.041 176.300 0.019 0.000 1.071 877 R CA -1.063 55.050 56.100 0.022 0.000 1.024 877 R CB 1.944 32.260 30.300 0.027 0.000 1.184 877 R HN 0.859 nan 8.270 nan 0.000 0.492 878 G N -1.107 107.705 108.800 0.021 0.000 2.328 878 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 878 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 878 G C -0.003 174.911 174.900 0.023 0.000 1.435 878 G CA -0.079 45.033 45.100 0.022 0.000 0.865 878 G HN 0.390 nan 8.290 nan 0.000 0.601 879 T N -0.812 113.757 114.554 0.025 0.000 2.995 879 T HA 0.305 4.655 4.350 0.000 0.000 0.269 879 T C 0.829 175.549 174.700 0.033 0.000 1.091 879 T CA 2.312 64.427 62.100 0.026 0.000 1.128 879 T CB -0.249 68.634 68.868 0.025 0.000 0.891 879 T HN 0.764 nan 8.240 nan 0.000 0.492 880 T N 0.093 114.672 114.554 0.041 0.000 2.889 880 T HA 0.305 4.655 4.350 0.000 0.000 0.315 880 T C 0.260 174.988 174.700 0.047 0.000 1.291 880 T CA -0.651 61.484 62.100 0.059 0.000 1.028 880 T CB 2.102 71.025 68.868 0.091 0.000 1.235 880 T HN -0.020 nan 8.240 nan 0.000 0.491 881 E N 0.944 121.158 120.200 0.023 0.000 2.049 881 E HA -0.219 4.131 4.350 0.000 0.000 0.198 881 E C 1.383 177.927 176.600 -0.093 0.000 1.007 881 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 881 E CB -0.229 29.378 29.700 -0.153 0.000 0.749 881 E HN 0.742 nan 8.360 nan 0.000 0.450 882 H N -1.157 117.917 119.070 0.007 0.000 2.456 882 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 882 H C 1.989 177.320 175.328 0.006 0.000 1.079 882 H CA 1.250 57.302 56.048 0.006 0.000 1.322 882 H CB 0.051 29.816 29.762 0.005 0.000 1.388 882 H HN 0.041 nan 8.280 nan 0.000 0.538 883 V N 1.192 121.176 119.914 0.117 0.000 2.323 883 V HA -0.197 3.923 4.120 0.000 0.000 0.244 883 V C 2.300 178.417 176.094 0.039 0.000 1.041 883 V CA 1.874 64.215 62.300 0.067 0.000 1.025 883 V CB -0.438 31.416 31.823 0.053 0.000 0.656 883 V HN 0.546 nan 8.190 nan 0.000 0.451 884 I N -1.948 118.637 120.570 0.024 0.000 2.830 884 I HA -0.068 4.102 4.170 0.000 0.000 0.263 884 I C 2.077 178.194 176.117 0.001 0.000 1.230 884 I CA 1.404 62.709 61.300 0.010 0.000 1.480 884 I CB -0.524 37.478 38.000 0.003 0.000 1.095 884 I HN 0.294 nan 8.210 nan 0.000 0.455 885 E N 1.482 121.680 120.200 -0.004 0.000 2.076 885 E HA -0.202 4.148 4.350 0.000 0.000 0.190 885 E C 2.045 178.651 176.600 0.010 0.000 0.979 885 E CA 1.060 57.454 56.400 -0.011 0.000 0.807 885 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 885 E HN 0.615 nan 8.360 nan 0.000 0.454 886 E N 0.719 120.936 120.200 0.027 0.000 2.106 886 E HA -0.159 4.191 4.350 0.000 0.000 0.192 886 E C 2.060 178.672 176.600 0.020 0.000 0.984 886 E CA 0.901 57.319 56.400 0.029 0.000 0.806 886 E CB 0.238 29.961 29.700 0.039 0.000 0.750 886 E HN 0.022 nan 8.360 nan 0.000 0.458 887 V N 1.234 121.159 119.914 0.018 0.000 2.343 887 V HA -0.250 3.870 4.120 0.000 0.000 0.247 887 V C 2.464 178.562 176.094 0.007 0.000 1.051 887 V CA 1.736 64.044 62.300 0.013 0.000 1.036 887 V CB -0.733 31.097 31.823 0.012 0.000 0.654 887 V HN 0.437 nan 8.190 nan 0.000 0.451 888 A N -0.276 122.546 122.820 0.003 0.000 1.933 888 A HA -0.200 4.120 4.320 0.000 0.000 0.218 888 A C 2.359 179.942 177.584 -0.001 0.000 1.175 888 A CA 1.481 53.517 52.037 -0.002 0.000 0.628 888 A CB -0.417 18.579 19.000 -0.007 0.000 0.814 888 A HN 0.384 nan 8.150 nan 0.000 0.444 889 R N -0.545 119.957 120.500 0.004 0.000 2.090 889 R HA 0.039 4.379 4.340 0.000 0.000 0.228 889 R C 2.422 178.726 176.300 0.006 0.000 1.110 889 R CA 1.280 57.383 56.100 0.005 0.000 0.973 889 R CB -1.087 29.218 30.300 0.009 0.000 0.869 889 R HN 0.525 nan 8.270 nan 0.000 0.440 890 A N 0.973 123.798 122.820 0.009 0.000 1.902 890 A HA -0.128 4.192 4.320 0.000 0.000 0.217 890 A C 2.271 179.859 177.584 0.007 0.000 1.181 890 A CA 1.932 53.975 52.037 0.011 0.000 0.623 890 A CB -0.609 18.399 19.000 0.014 0.000 0.818 890 A HN 0.211 nan 8.150 nan 0.000 0.443 891 V N -2.406 117.510 119.914 0.003 0.000 2.719 891 V HA -0.112 4.008 4.120 0.000 0.000 0.252 891 V C 1.926 178.018 176.094 -0.003 0.000 1.065 891 V CA 2.044 64.344 62.300 -0.000 0.000 1.086 891 V CB -0.628 31.193 31.823 -0.003 0.000 0.700 891 V HN 0.542 nan 8.190 nan 0.000 0.467 892 D N 1.079 121.477 120.400 -0.003 0.000 2.097 892 D HA -0.241 4.399 4.640 0.000 0.000 0.195 892 D C 1.681 177.980 176.300 -0.002 0.000 0.989 892 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 892 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 892 D HN 0.509 nan 8.370 nan 0.000 0.456 893 D N 0.338 120.739 120.400 0.001 0.000 2.144 893 D HA -0.067 4.573 4.640 0.000 0.000 0.200 893 D C 2.010 178.312 176.300 0.002 0.000 0.978 893 D CA 1.132 55.134 54.000 0.003 0.000 0.833 893 D CB -0.440 40.363 40.800 0.005 0.000 0.961 893 D HN 0.266 nan 8.370 nan 0.000 0.470 894 A N 0.663 123.484 122.820 0.002 0.000 1.908 894 A HA -0.152 4.168 4.320 0.000 0.000 0.218 894 A C 2.507 180.090 177.584 -0.001 0.000 1.181 894 A CA 1.290 53.328 52.037 0.001 0.000 0.627 894 A CB -0.784 18.217 19.000 0.001 0.000 0.818 894 A HN 0.151 nan 8.150 nan 0.000 0.445 895 V N -0.112 119.800 119.914 -0.003 0.000 2.427 895 V HA -0.165 3.955 4.120 0.000 0.000 0.248 895 V C 2.803 178.894 176.094 -0.004 0.000 1.051 895 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 895 V CB -1.414 30.405 31.823 -0.008 0.000 0.666 895 V HN 0.626 nan 8.190 nan 0.000 0.456 896 G N 0.585 109.383 108.800 -0.003 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 1.701 176.600 174.900 -0.001 0.000 1.168 896 G CA 1.632 46.731 45.100 -0.002 0.000 0.771 896 G HN 0.601 nan 8.290 nan 0.000 0.551 897 V N -1.537 118.378 119.914 0.000 0.000 2.719 897 V HA 0.029 4.149 4.120 0.000 0.000 0.252 897 V C 2.613 178.707 176.094 0.000 0.000 1.065 897 V CA 1.212 63.513 62.300 0.001 0.000 1.086 897 V CB -0.302 31.523 31.823 0.003 0.000 0.700 897 V HN 0.130 nan 8.190 nan 0.000 0.467 898 V N 2.092 122.005 119.914 -0.001 0.000 2.358 898 V HA -0.032 4.089 4.120 0.000 0.000 0.246 898 V C 2.918 179.011 176.094 -0.003 0.000 1.047 898 V CA 2.247 64.546 62.300 -0.002 0.000 1.035 898 V CB -1.333 30.488 31.823 -0.003 0.000 0.658 898 V HN 0.613 nan 8.190 nan 0.000 0.452 899 G N -1.264 107.535 108.800 -0.003 0.000 2.422 899 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 899 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 899 G C 1.707 176.606 174.900 -0.002 0.000 1.146 899 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 899 G HN 0.536 nan 8.290 nan 0.000 0.547 900 C N 0.250 119.549 119.300 -0.001 0.000 2.440 900 C HA 0.024 4.484 4.460 0.000 0.000 0.278 900 C C 3.147 178.137 174.990 -0.000 0.000 1.295 900 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 900 C CB -0.810 26.931 27.740 0.001 0.000 1.987 900 C HN 0.405 nan 8.230 nan 0.000 0.492 901 T N 0.709 115.263 114.554 -0.001 0.000 3.043 901 T HA 0.113 4.463 4.350 0.000 0.000 0.263 901 T C 1.567 176.266 174.700 -0.001 0.000 1.094 901 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 901 T CB -0.122 68.745 68.868 -0.001 0.000 0.905 901 T HN 0.468 nan 8.240 nan 0.000 0.490 902 I N 0.762 121.331 120.570 -0.002 0.000 2.333 902 I HA -0.048 4.122 4.170 0.000 0.000 0.246 902 I C 2.454 178.570 176.117 -0.002 0.000 1.106 902 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 902 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 902 I HN 0.254 nan 8.210 nan 0.000 0.420 903 E N 0.063 120.262 120.200 -0.002 0.000 2.122 903 E HA -0.056 4.294 4.350 0.000 0.000 0.190 903 E C -0.072 176.527 176.600 -0.001 0.000 0.977 903 E CA 0.659 57.058 56.400 -0.002 0.000 0.820 903 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 903 E HN 0.347 nan 8.360 nan 0.000 0.462 904 D N 0.164 120.564 120.400 -0.001 0.000 2.446 904 D HA 0.128 4.768 4.640 0.000 0.000 0.251 904 D C -0.088 176.211 176.300 -0.000 0.000 1.137 904 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 904 D CB 1.437 42.237 40.800 0.000 0.000 1.071 904 D HN 0.092 nan 8.370 nan 0.000 0.528 905 G N 2.258 111.058 108.800 -0.001 0.000 3.340 905 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 905 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 905 G C 0.613 175.513 174.900 -0.000 0.000 1.327 905 G CA -0.147 44.952 45.100 -0.001 0.000 1.170 905 G HN 0.080 nan 8.290 nan 0.000 0.520 906 R N 0.354 120.855 120.500 0.000 0.000 2.494 906 R HA 0.568 4.908 4.340 0.000 0.000 0.305 906 R C -0.102 176.200 176.300 0.002 0.000 0.959 906 R CA -0.644 55.457 56.100 0.001 0.000 0.864 906 R CB 1.755 32.056 30.300 0.001 0.000 1.159 906 R HN 0.388 nan 8.270 nan 0.000 0.446 907 I N -1.265 119.307 120.570 0.003 0.000 3.002 907 I HA 0.809 4.979 4.170 0.000 0.000 0.310 907 I C -0.183 175.938 176.117 0.007 0.000 1.087 907 I CA -1.301 60.002 61.300 0.005 0.000 1.017 907 I CB 2.446 40.448 38.000 0.004 0.000 1.226 907 I HN 0.301 nan 8.210 nan 0.000 0.443 908 V N -0.295 119.625 119.914 0.010 0.000 3.078 908 V HA 0.673 4.793 4.120 0.000 0.000 0.311 908 V C 0.093 176.198 176.094 0.018 0.000 1.138 908 V CA -0.582 61.727 62.300 0.015 0.000 1.007 908 V CB 1.178 33.011 31.823 0.017 0.000 1.045 908 V HN 1.026 nan 8.190 nan 0.000 0.432 909 S N 1.509 117.223 115.700 0.024 0.000 2.562 909 S HA 0.646 5.116 4.470 0.000 0.000 0.281 909 S C 0.559 175.179 174.600 0.034 0.000 1.333 909 S CA 0.170 58.388 58.200 0.029 0.000 1.052 909 S CB 0.845 64.065 63.200 0.035 0.000 0.884 909 S HN 1.792 nan 8.310 nan 0.000 0.506 910 G N 0.370 109.191 108.800 0.035 0.000 2.630 910 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 910 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 910 G C 0.913 175.839 174.900 0.043 0.000 1.434 910 G CA -0.550 44.572 45.100 0.037 0.000 1.057 910 G HN 2.030 nan 8.290 nan 0.000 0.570 911 G N -1.992 106.835 108.800 0.045 0.000 2.179 911 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 911 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 911 G C 1.467 176.381 174.900 0.025 0.000 1.010 911 G CA 1.177 46.303 45.100 0.044 0.000 0.736 911 G HN 2.472 nan 8.290 nan 0.000 0.513 912 G N -1.361 107.447 108.800 0.012 0.000 2.162 912 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 912 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 912 G C 1.467 176.358 174.900 -0.015 0.000 0.976 912 G CA 1.687 46.780 45.100 -0.012 0.000 0.655 912 G HN 1.952 nan 8.290 nan 0.000 0.533 913 S N 0.034 115.752 115.700 0.029 0.000 2.370 913 S HA -0.164 4.306 4.470 0.000 0.000 0.226 913 S C 2.796 177.428 174.600 0.053 0.000 1.033 913 S CA 2.765 61.015 58.200 0.083 0.000 1.011 913 S CB -0.553 62.732 63.200 0.142 0.000 0.852 913 S HN 1.320 nan 8.310 nan 0.000 0.457 914 T N 0.104 114.678 114.554 0.033 0.000 2.595 914 T HA -0.090 4.260 4.350 0.000 0.000 0.264 914 T C 1.605 176.293 174.700 -0.021 0.000 1.058 914 T CA 1.596 63.709 62.100 0.022 0.000 1.166 914 T CB -1.021 67.856 68.868 0.014 0.000 0.863 914 T HN 0.349 nan 8.240 nan 0.000 0.415 915 E N 0.899 121.074 120.200 -0.042 0.000 2.171 915 E HA -0.069 4.281 4.350 0.000 0.000 0.197 915 E C 2.275 178.811 176.600 -0.107 0.000 0.997 915 E CA 0.850 57.209 56.400 -0.068 0.000 0.810 915 E CB -0.828 28.826 29.700 -0.076 0.000 0.738 915 E HN 0.437 nan 8.360 nan 0.000 0.467 916 V N 0.407 120.218 119.914 -0.172 0.000 2.379 916 V HA -0.216 3.904 4.120 0.000 0.000 0.245 916 V C 2.279 178.148 176.094 -0.375 0.000 1.044 916 V CA 1.839 63.950 62.300 -0.314 0.000 1.036 916 V CB -0.426 31.102 31.823 -0.492 0.000 0.664 916 V HN 0.223 nan 8.190 nan 0.000 0.453 917 E N 0.428 120.439 120.200 -0.315 0.000 2.085 917 E HA -0.225 4.125 4.350 0.000 0.000 0.194 917 E C 1.878 178.488 176.600 0.016 0.000 0.994 917 E CA 1.472 57.875 56.400 0.004 0.000 0.801 917 E CB -0.337 29.475 29.700 0.186 0.000 0.743 917 E HN 0.364 nan 8.360 nan 0.000 0.453 918 L N 0.583 121.801 121.223 -0.008 0.000 2.056 918 L HA -0.108 4.232 4.340 0.000 0.000 0.207 918 L C 2.555 179.444 176.870 0.032 0.000 1.078 918 L CA 2.019 56.872 54.840 0.021 0.000 0.749 918 L CB -1.155 40.922 42.059 0.029 0.000 0.901 918 L HN 0.311 nan 8.230 nan 0.000 0.433 919 S N -1.904 113.792 115.700 -0.007 0.000 2.423 919 S HA -0.165 4.305 4.470 0.000 0.000 0.231 919 S C 1.954 176.567 174.600 0.021 0.000 1.014 919 S CA 0.842 59.045 58.200 0.005 0.000 0.965 919 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 919 S HN 0.253 nan 8.310 nan 0.000 0.495 920 M N 1.537 121.141 119.600 0.007 0.000 2.064 920 M HA 0.065 4.545 4.480 0.000 0.000 0.260 920 M C 2.180 178.519 176.300 0.065 0.000 1.073 920 M CA 1.411 56.734 55.300 0.039 0.000 1.124 920 M CB -0.935 31.702 32.600 0.062 0.000 1.326 920 M HN 0.257 nan 8.290 nan 0.000 0.410 921 K N 0.614 121.055 120.400 0.067 0.000 2.155 921 K HA 0.065 4.385 4.320 0.000 0.000 0.203 921 K C 2.024 178.688 176.600 0.108 0.000 1.052 921 K CA 0.870 57.202 56.287 0.075 0.000 0.948 921 K CB -0.482 32.048 32.500 0.050 0.000 0.728 921 K HN 0.389 nan 8.250 nan 0.000 0.448 922 L N 0.150 121.439 121.223 0.110 0.000 2.313 922 L HA -0.031 4.309 4.340 0.000 0.000 0.214 922 L C 2.385 179.377 176.870 0.203 0.000 1.119 922 L CA 0.648 55.597 54.840 0.180 0.000 0.809 922 L CB -0.185 41.980 42.059 0.177 0.000 0.933 922 L HN 0.097 nan 8.230 nan 0.000 0.449 923 R N 0.106 120.687 120.500 0.134 0.000 2.090 923 R HA -0.124 4.216 4.340 0.000 0.000 0.228 923 R C 2.053 178.408 176.300 0.092 0.000 1.110 923 R CA 1.169 57.331 56.100 0.102 0.000 0.973 923 R CB -0.078 30.264 30.300 0.070 0.000 0.869 923 R HN 0.421 nan 8.270 nan 0.000 0.440 924 E N -0.468 119.794 120.200 0.103 0.000 2.107 924 E HA -0.194 4.156 4.350 0.000 0.000 0.191 924 E C 1.549 178.215 176.600 0.110 0.000 0.982 924 E CA 0.798 57.252 56.400 0.089 0.000 0.809 924 E CB -0.087 29.664 29.700 0.085 0.000 0.756 924 E HN 0.298 nan 8.360 nan 0.000 0.459 925 Y N 1.587 121.901 120.300 0.023 0.000 2.181 925 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 925 Y C 2.182 178.092 175.900 0.017 0.000 1.146 925 Y CA 1.292 59.402 58.100 0.017 0.000 1.164 925 Y CB -0.426 38.042 38.460 0.014 0.000 0.982 925 Y HN -0.011 nan 8.280 nan 0.000 0.515 926 A N 0.380 123.193 122.820 -0.012 0.000 1.883 926 A HA -0.188 4.132 4.320 0.000 0.000 0.217 926 A C 2.131 179.657 177.584 -0.096 0.000 1.186 926 A CA 1.914 53.907 52.037 -0.073 0.000 0.624 926 A CB -0.636 18.387 19.000 0.039 0.000 0.822 926 A HN 0.518 nan 8.150 nan 0.000 0.444 927 E N -0.471 119.703 120.200 -0.044 0.000 2.110 927 E HA -0.139 4.211 4.350 0.000 0.000 0.193 927 E C 2.164 178.724 176.600 -0.066 0.000 0.988 927 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 927 E CB -0.692 29.004 29.700 -0.006 0.000 0.745 927 E HN 0.599 nan 8.360 nan 0.000 0.458 928 G N 1.476 110.220 108.800 -0.094 0.000 2.402 928 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 928 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 928 G C 1.607 176.412 174.900 -0.157 0.000 1.162 928 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 928 G HN 0.116 nan 8.290 nan 0.000 0.539 929 I N 0.339 120.751 120.570 -0.264 0.000 2.202 929 I HA -0.011 4.160 4.170 0.000 0.000 0.242 929 I C 1.706 177.742 176.117 -0.135 0.000 1.091 929 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 929 I CB -1.167 36.620 38.000 -0.354 0.000 1.058 929 I HN 0.324 nan 8.210 nan 0.000 0.410 930 S N -1.226 114.408 115.700 -0.110 0.000 3.513 930 S HA -0.105 4.365 4.470 0.000 0.000 0.636 930 S C 0.714 175.282 174.600 -0.055 0.000 2.452 930 S CA 1.398 59.559 58.200 -0.065 0.000 2.644 930 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 930 S HN 1.473 nan 8.310 nan 0.000 1.787 931 G N 0.745 109.523 108.800 -0.037 0.000 2.575 931 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 931 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 931 G C 0.089 174.976 174.900 -0.023 0.000 1.264 931 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 931 G HN 1.197 nan 8.290 nan 0.000 0.568 932 R N 0.564 121.052 120.500 -0.019 0.000 2.240 932 R HA 0.249 4.589 4.340 0.000 0.000 0.203 932 R C 2.411 178.703 176.300 -0.013 0.000 1.011 932 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 932 R CB -0.311 29.984 30.300 -0.008 0.000 0.911 932 R HN 0.620 nan 8.270 nan 0.000 0.468 933 E N 0.397 120.583 120.200 -0.024 0.000 2.153 933 E HA -0.181 4.169 4.350 0.000 0.000 0.194 933 E C 1.703 178.293 176.600 -0.017 0.000 0.988 933 E CA 0.838 57.223 56.400 -0.025 0.000 0.811 933 E CB -0.088 29.586 29.700 -0.043 0.000 0.746 933 E HN 0.191 nan 8.360 nan 0.000 0.466 934 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 934 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 934 Q C 1.988 178.003 176.000 0.024 0.000 0.976 934 Q CA 1.093 56.884 55.803 -0.019 0.000 0.858 934 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 934 Q HN 0.385 nan 8.270 nan 0.000 0.433 935 L N 0.039 121.277 121.223 0.024 0.000 2.056 935 L HA -0.124 4.216 4.340 0.000 0.000 0.207 935 L C 2.626 179.546 176.870 0.083 0.000 1.078 935 L CA 1.145 56.011 54.840 0.043 0.000 0.749 935 L CB -0.681 41.394 42.059 0.025 0.000 0.901 935 L HN 0.156 nan 8.230 nan 0.000 0.433 936 A N -0.389 122.475 122.820 0.073 0.000 1.898 936 A HA -0.105 4.215 4.320 0.000 0.000 0.216 936 A C 2.316 180.079 177.584 0.298 0.000 1.181 936 A CA 1.443 53.553 52.037 0.122 0.000 0.620 936 A CB -0.706 18.281 19.000 -0.022 0.000 0.819 936 A HN 0.178 nan 8.150 nan 0.000 0.442 937 V N 0.024 120.059 119.914 0.202 0.000 2.427 937 V HA -0.203 3.917 4.120 0.000 0.000 0.248 937 V C 2.651 178.895 176.094 0.249 0.000 1.051 937 V CA 2.246 64.685 62.300 0.233 0.000 1.048 937 V CB -0.786 31.123 31.823 0.144 0.000 0.666 937 V HN 0.615 nan 8.190 nan 0.000 0.456 938 R N 1.173 121.777 120.500 0.173 0.000 2.081 938 R HA -0.079 4.261 4.340 0.000 0.000 0.235 938 R C 2.146 178.537 176.300 0.151 0.000 1.131 938 R CA 1.892 58.075 56.100 0.138 0.000 0.960 938 R CB -0.930 29.423 30.300 0.088 0.000 0.856 938 R HN 0.439 nan 8.270 nan 0.000 0.436 939 A N -0.471 122.465 122.820 0.192 0.000 1.902 939 A HA -0.125 4.195 4.320 0.000 0.000 0.217 939 A C 2.176 179.858 177.584 0.163 0.000 1.181 939 A CA 1.364 53.514 52.037 0.190 0.000 0.623 939 A CB -0.849 18.309 19.000 0.264 0.000 0.818 939 A HN 0.485 nan 8.150 nan 0.000 0.443 940 F N 0.930 120.929 119.950 0.081 0.000 2.075 940 F HA -0.090 4.438 4.527 0.000 0.000 0.297 940 F C 2.557 178.310 175.800 -0.080 0.000 1.113 940 F CA 1.491 59.410 58.000 -0.135 0.000 1.218 940 F CB -0.344 38.594 39.000 -0.102 0.000 0.984 940 F HN 0.250 nan 8.300 nan 0.000 0.472 941 A N -0.139 122.821 122.820 0.233 0.000 1.940 941 A HA -0.212 4.108 4.320 0.000 0.000 0.219 941 A C 1.878 179.454 177.584 -0.014 0.000 1.176 941 A CA 2.110 54.222 52.037 0.126 0.000 0.631 941 A CB -0.953 18.142 19.000 0.158 0.000 0.814 941 A HN 0.471 nan 8.150 nan 0.000 0.446 942 D N -0.195 120.199 120.400 -0.010 0.000 2.183 942 D HA 0.067 4.707 4.640 0.000 0.000 0.203 942 D C 2.170 178.414 176.300 -0.093 0.000 0.969 942 D CA 1.223 55.201 54.000 -0.036 0.000 0.842 942 D CB -0.391 40.406 40.800 -0.004 0.000 0.957 942 D HN 0.414 nan 8.370 nan 0.000 0.484 943 A N 0.732 123.459 122.820 -0.156 0.000 1.972 943 A HA -0.119 4.201 4.320 0.000 0.000 0.219 943 A C 2.242 179.683 177.584 -0.239 0.000 1.169 943 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 943 A CB -0.730 18.071 19.000 -0.333 0.000 0.810 943 A HN 0.235 nan 8.150 nan 0.000 0.446 944 L N -0.419 120.643 121.223 -0.269 0.000 2.265 944 L HA -0.122 4.218 4.340 0.000 0.000 0.215 944 L C 1.962 178.747 176.870 -0.142 0.000 1.117 944 L CA 0.735 55.441 54.840 -0.223 0.000 0.782 944 L CB -0.467 41.470 42.059 -0.203 0.000 0.914 944 L HN 0.316 nan 8.230 nan 0.000 0.441 945 E N -0.227 119.903 120.200 -0.117 0.000 2.478 945 E HA -0.115 4.235 4.350 0.000 0.000 0.198 945 E C 2.180 178.732 176.600 -0.079 0.000 1.046 945 E CA 0.515 56.863 56.400 -0.088 0.000 0.870 945 E CB -0.076 29.582 29.700 -0.070 0.000 0.818 945 E HN 0.293 nan 8.360 nan 0.000 0.527 946 V N 0.979 120.839 119.914 -0.090 0.000 2.594 946 V HA -0.203 3.917 4.120 0.000 0.000 0.253 946 V C 1.818 177.871 176.094 -0.068 0.000 1.069 946 V CA 0.956 63.210 62.300 -0.076 0.000 1.082 946 V CB -0.191 31.582 31.823 -0.084 0.000 0.680 946 V HN 0.132 nan 8.190 nan 0.000 0.469 947 I N 0.553 121.079 120.570 -0.073 0.000 2.235 947 I HA -0.017 4.153 4.170 0.000 0.000 0.241 947 I C 0.197 176.283 176.117 -0.052 0.000 1.085 947 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 947 I CB -2.823 35.138 38.000 -0.064 0.000 1.076 947 I HN 0.319 nan 8.210 nan 0.000 0.415 948 P HA -0.170 nan 4.420 nan 0.000 0.216 948 P C 1.849 179.124 177.300 -0.042 0.000 1.150 948 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 948 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 949 R N -0.227 120.245 120.500 -0.046 0.000 2.073 949 R HA -0.108 4.232 4.340 0.000 0.000 0.234 949 R C 1.953 178.228 176.300 -0.041 0.000 1.134 949 R CA 2.332 58.407 56.100 -0.042 0.000 0.952 949 R CB -0.847 29.427 30.300 -0.043 0.000 0.850 949 R HN 0.242 nan 8.270 nan 0.000 0.433 950 T N -0.945 113.582 114.554 -0.044 0.000 3.043 950 T HA -0.055 4.295 4.350 0.000 0.000 0.263 950 T C 1.779 176.451 174.700 -0.046 0.000 1.094 950 T CA 0.544 62.617 62.100 -0.044 0.000 1.127 950 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 950 T HN 0.174 nan 8.240 nan 0.000 0.490 951 L N 1.877 123.072 121.223 -0.047 0.000 2.027 951 L HA 0.277 4.617 4.340 0.000 0.000 0.206 951 L C 2.771 179.607 176.870 -0.056 0.000 1.074 951 L CA 1.891 56.700 54.840 -0.052 0.000 0.745 951 L CB -1.169 40.863 42.059 -0.046 0.000 0.898 951 L HN 0.314 nan 8.230 nan 0.000 0.433 952 A N -1.096 121.696 122.820 -0.046 0.000 1.929 952 A HA -0.190 4.130 4.320 0.000 0.000 0.216 952 A C 2.297 179.856 177.584 -0.043 0.000 1.176 952 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 952 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 952 A HN 0.596 nan 8.150 nan 0.000 0.444 953 E N 0.160 120.336 120.200 -0.040 0.000 2.038 953 E HA -0.250 4.100 4.350 0.000 0.000 0.195 953 E C 1.584 178.160 176.600 -0.040 0.000 1.000 953 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 953 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 953 E HN 0.537 nan 8.360 nan 0.000 0.448 954 N N 0.208 118.880 118.700 -0.046 0.000 2.309 954 N HA -0.092 4.648 4.740 0.000 0.000 0.182 954 N C 1.413 176.887 175.510 -0.060 0.000 1.018 954 N CA 1.108 54.128 53.050 -0.050 0.000 0.876 954 N CB -0.296 38.160 38.487 -0.053 0.000 0.972 954 N HN 0.235 nan 8.380 nan 0.000 0.434 955 A N 0.030 122.808 122.820 -0.069 0.000 2.119 955 A HA 0.267 4.587 4.320 0.000 0.000 0.217 955 A C 1.532 179.079 177.584 -0.061 0.000 1.153 955 A CA 1.148 53.135 52.037 -0.082 0.000 0.692 955 A CB -0.513 18.431 19.000 -0.094 0.000 0.799 955 A HN 0.335 nan 8.150 nan 0.000 0.458 956 G N -1.595 107.176 108.800 -0.047 0.000 2.137 956 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 956 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 956 G C -0.021 174.861 174.900 -0.030 0.000 1.002 956 G CA 0.353 45.431 45.100 -0.036 0.000 0.702 956 G HN 0.459 nan 8.290 nan 0.000 0.515 957 L N 0.071 121.274 121.223 -0.032 0.000 2.352 957 L HA 0.478 4.818 4.340 0.000 0.000 0.269 957 L C 0.476 177.333 176.870 -0.022 0.000 1.034 957 L CA -1.110 53.715 54.840 -0.026 0.000 0.806 957 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 957 L HN 0.090 nan 8.230 nan 0.000 0.447 958 D N 1.111 121.500 120.400 -0.017 0.000 2.363 958 D HA 0.060 4.700 4.640 0.000 0.000 0.263 958 D C 0.785 177.075 176.300 -0.016 0.000 1.258 958 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 958 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 958 D HN 0.649 nan 8.370 nan 0.000 0.495 959 A N 5.420 128.229 122.820 -0.019 0.000 1.917 959 A HA -0.205 4.115 4.320 0.000 0.000 0.219 959 A C 2.107 179.681 177.584 -0.018 0.000 1.182 959 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 959 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 959 A HN 0.704 nan 8.150 nan 0.000 0.448 960 I N -0.327 120.234 120.570 -0.014 0.000 2.193 960 I HA -0.105 4.065 4.170 0.000 0.000 0.240 960 I C 2.379 178.491 176.117 -0.009 0.000 1.084 960 I CA 1.136 62.429 61.300 -0.011 0.000 1.365 960 I CB -1.614 36.380 38.000 -0.009 0.000 1.064 960 I HN 0.311 nan 8.210 nan 0.000 0.410 961 E N 0.716 120.912 120.200 -0.007 0.000 2.110 961 E HA -0.145 4.205 4.350 0.000 0.000 0.193 961 E C 2.303 178.902 176.600 -0.003 0.000 0.988 961 E CA 0.918 57.315 56.400 -0.004 0.000 0.804 961 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 961 E HN 0.348 nan 8.360 nan 0.000 0.458 962 I N 0.604 121.170 120.570 -0.006 0.000 2.163 962 I HA -0.224 3.946 4.170 0.000 0.000 0.240 962 I C 2.326 178.440 176.117 -0.005 0.000 1.081 962 I CA 0.777 62.074 61.300 -0.005 0.000 1.353 962 I CB -0.955 37.038 38.000 -0.011 0.000 1.054 962 I HN 0.118 nan 8.210 nan 0.000 0.407 963 L N 0.110 121.327 121.223 -0.010 0.000 2.083 963 L HA -0.151 4.189 4.340 0.000 0.000 0.209 963 L C 2.548 179.414 176.870 -0.007 0.000 1.083 963 L CA 1.314 56.145 54.840 -0.014 0.000 0.752 963 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 963 L HN 0.001 nan 8.230 nan 0.000 0.433 964 V N -1.229 118.684 119.914 -0.003 0.000 2.323 964 V HA -0.222 3.898 4.120 0.000 0.000 0.244 964 V C 2.504 178.604 176.094 0.010 0.000 1.041 964 V CA 1.318 63.620 62.300 0.003 0.000 1.025 964 V CB -0.381 31.444 31.823 0.003 0.000 0.656 964 V HN 0.285 nan 8.190 nan 0.000 0.451 965 K N -0.081 120.325 120.400 0.010 0.000 2.148 965 K HA -0.050 4.270 4.320 0.000 0.000 0.204 965 K C 1.887 178.503 176.600 0.026 0.000 1.050 965 K CA 0.954 57.250 56.287 0.016 0.000 0.942 965 K CB -0.530 31.977 32.500 0.013 0.000 0.724 965 K HN 0.305 nan 8.250 nan 0.000 0.446 966 V N 0.550 120.479 119.914 0.025 0.000 2.323 966 V HA -0.169 3.951 4.120 0.000 0.000 0.244 966 V C 2.140 178.271 176.094 0.063 0.000 1.041 966 V CA 1.537 63.861 62.300 0.040 0.000 1.025 966 V CB -0.305 31.532 31.823 0.023 0.000 0.656 966 V HN 0.244 nan 8.190 nan 0.000 0.451 967 R N 0.091 120.611 120.500 0.034 0.000 2.096 967 R HA -0.103 4.237 4.340 0.000 0.000 0.235 967 R C 2.418 178.764 176.300 0.077 0.000 1.127 967 R CA 1.423 57.547 56.100 0.040 0.000 0.968 967 R CB -0.546 29.755 30.300 0.001 0.000 0.861 967 R HN 0.535 nan 8.270 nan 0.000 0.440 968 A N 1.249 124.100 122.820 0.052 0.000 1.877 968 A HA -0.100 4.220 4.320 0.000 0.000 0.216 968 A C 2.364 179.979 177.584 0.053 0.000 1.186 968 A CA 1.672 53.737 52.037 0.046 0.000 0.620 968 A CB -0.586 18.432 19.000 0.029 0.000 0.822 968 A HN 0.387 nan 8.150 nan 0.000 0.443 969 A N -1.203 121.651 122.820 0.056 0.000 1.930 969 A HA -0.143 4.177 4.320 0.000 0.000 0.217 969 A C 1.991 179.607 177.584 0.053 0.000 1.175 969 A CA 2.009 54.074 52.037 0.046 0.000 0.627 969 A CB -0.832 18.194 19.000 0.044 0.000 0.815 969 A HN 0.773 nan 8.150 nan 0.000 0.443 970 H N -0.249 118.825 119.070 0.006 0.000 2.321 970 H HA 0.046 4.602 4.556 0.000 0.000 0.300 970 H C 2.206 177.538 175.328 0.008 0.000 1.087 970 H CA 1.975 58.027 56.048 0.007 0.000 1.319 970 H CB -0.135 29.631 29.762 0.006 0.000 1.379 970 H HN 0.400 nan 8.280 nan 0.000 0.501 971 A N -0.785 122.123 122.820 0.147 0.000 1.930 971 A HA -0.141 4.179 4.320 0.000 0.000 0.217 971 A C 2.529 180.124 177.584 0.019 0.000 1.175 971 A CA 1.752 53.843 52.037 0.090 0.000 0.627 971 A CB -0.906 18.148 19.000 0.091 0.000 0.815 971 A HN 0.497 nan 8.150 nan 0.000 0.443 972 S N -0.411 115.296 115.700 0.011 0.000 2.341 972 S HA -0.088 4.382 4.470 0.000 0.000 0.216 972 S C 1.857 176.442 174.600 -0.025 0.000 1.034 972 S CA 1.256 59.454 58.200 -0.002 0.000 0.964 972 S CB -0.349 62.855 63.200 0.006 0.000 0.882 972 S HN 0.609 nan 8.310 nan 0.000 0.469 973 N N 0.737 119.414 118.700 -0.039 0.000 2.368 973 N HA 0.291 5.031 4.740 0.000 0.000 0.176 973 N C 1.012 176.463 175.510 -0.097 0.000 1.021 973 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 973 N CB 0.226 38.690 38.487 -0.039 0.000 0.995 973 N HN 0.599 nan 8.380 nan 0.000 0.437 974 G N 0.762 109.452 108.800 -0.183 0.000 2.373 974 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 974 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 974 G C -0.199 174.412 174.900 -0.483 0.000 1.267 974 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 974 G HN 0.320 nan 8.290 nan 0.000 0.497 975 N N -0.715 117.734 118.700 -0.418 0.000 2.412 975 N HA 0.121 4.861 4.740 0.000 0.000 0.184 975 N C 1.272 176.748 175.510 -0.057 0.000 1.101 975 N CA 1.039 53.948 53.050 -0.236 0.000 0.881 975 N CB 0.327 38.808 38.487 -0.011 0.000 0.969 975 N HN 0.368 nan 8.380 nan 0.000 0.459 976 K N -0.288 120.069 120.400 -0.072 0.000 2.358 976 K HA 0.286 4.606 4.320 0.000 0.000 0.200 976 K C -0.420 176.161 176.600 -0.031 0.000 1.030 976 K CA -0.007 56.261 56.287 -0.032 0.000 1.097 976 K CB 0.311 32.794 32.500 -0.027 0.000 0.862 976 K HN 0.203 nan 8.250 nan 0.000 0.534 977 C N 1.184 120.453 119.300 -0.051 0.000 3.206 977 C HA 0.724 5.184 4.460 0.000 0.000 0.206 977 C C 0.501 175.477 174.990 -0.024 0.000 1.836 977 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 977 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 977 C HN 0.424 nan 8.230 nan 0.000 0.516 978 A N 0.057 122.882 122.820 0.007 0.000 3.963 978 A HA 0.966 5.286 4.320 0.000 0.000 0.283 978 A C 0.048 177.675 177.584 0.071 0.000 1.085 978 A CA 0.332 52.401 52.037 0.053 0.000 0.591 978 A CB -0.170 18.887 19.000 0.095 0.000 1.632 978 A HN 2.013 nan 8.150 nan 0.000 0.761 979 G N -2.005 106.855 108.800 0.100 0.000 2.787 979 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 979 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 979 G C -0.699 174.233 174.900 0.054 0.000 1.437 979 G CA -0.016 45.128 45.100 0.073 0.000 0.872 979 G HN 2.092 nan 8.290 nan 0.000 0.566 980 L N 1.031 122.279 121.223 0.042 0.000 2.276 980 L HA 0.601 4.941 4.340 0.000 0.000 0.286 980 L C 0.592 177.494 176.870 0.054 0.000 1.061 980 L CA -0.667 54.193 54.840 0.034 0.000 0.807 980 L CB 1.272 43.337 42.059 0.011 0.000 1.177 980 L HN 0.698 nan 8.230 nan 0.000 0.429 981 N N 4.233 122.973 118.700 0.066 0.000 2.699 981 N HA 0.109 4.849 4.740 0.000 0.000 0.232 981 N C 0.925 176.484 175.510 0.082 0.000 1.027 981 N CA -0.127 52.994 53.050 0.119 0.000 0.920 981 N CB 1.136 39.700 38.487 0.128 0.000 1.148 981 N HN 0.703 nan 8.380 nan 0.000 0.509 982 V N 1.617 121.534 119.914 0.007 0.000 2.913 982 V HA -0.075 4.045 4.120 0.000 0.000 0.260 982 V C 1.514 177.523 176.094 -0.140 0.000 1.098 982 V CA 1.014 63.248 62.300 -0.110 0.000 1.121 982 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 982 V HN 0.408 nan 8.190 nan 0.000 0.487 983 F N 2.695 122.645 119.950 -0.001 0.000 2.134 983 F HA -0.096 4.431 4.527 0.000 0.000 0.299 983 F C 2.772 178.572 175.800 -0.001 0.000 1.097 983 F CA 2.152 60.152 58.000 -0.001 0.000 1.264 983 F CB -0.654 38.345 39.000 -0.001 0.000 1.001 983 F HN 0.385 nan 8.300 nan 0.000 0.479 984 T N -3.697 110.966 114.554 0.181 0.000 3.044 984 T HA 0.373 4.723 4.350 0.000 0.000 0.250 984 T C 1.497 176.228 174.700 0.051 0.000 1.081 984 T CA 0.417 62.574 62.100 0.095 0.000 1.040 984 T CB 0.179 69.094 68.868 0.077 0.000 0.962 984 T HN 0.427 nan 8.240 nan 0.000 0.506 985 G N 0.959 109.782 108.800 0.037 0.000 2.248 985 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 985 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 985 G C 0.054 174.961 174.900 0.012 0.000 1.082 985 G CA -0.227 44.877 45.100 0.007 0.000 0.863 985 G HN 1.395 nan 8.290 nan 0.000 0.495 986 A N -1.636 121.198 122.820 0.023 0.000 2.612 986 A HA 0.891 5.211 4.320 0.000 0.000 0.293 986 A C 0.040 177.641 177.584 0.029 0.000 1.075 986 A CA 0.121 52.171 52.037 0.022 0.000 0.680 986 A CB 1.533 20.546 19.000 0.023 0.000 1.279 986 A HN 1.804 nan 8.150 nan 0.000 0.411 987 V N 1.674 121.603 119.914 0.025 0.000 2.673 987 V HA 0.434 4.554 4.120 0.000 0.000 0.303 987 V C -0.044 176.070 176.094 0.032 0.000 1.046 987 V CA 0.952 63.270 62.300 0.030 0.000 1.126 987 V CB 0.457 32.297 31.823 0.029 0.000 0.934 987 V HN 0.918 nan 8.190 nan 0.000 0.487 988 E N 3.867 124.090 120.200 0.038 0.000 2.390 988 E HA 0.383 4.733 4.350 0.000 0.000 0.242 988 E C -1.478 175.141 176.600 0.031 0.000 0.907 988 E CA -0.668 55.752 56.400 0.033 0.000 0.884 988 E CB 0.844 30.568 29.700 0.040 0.000 1.788 988 E HN 0.719 nan 8.360 nan 0.000 0.427 989 D N 1.313 121.727 120.400 0.024 0.000 2.460 989 D HA 0.186 4.826 4.640 0.000 0.000 0.232 989 D C 0.799 177.111 176.300 0.020 0.000 1.079 989 D CA -0.278 53.732 54.000 0.017 0.000 0.864 989 D CB 0.676 41.480 40.800 0.006 0.000 1.048 989 D HN 0.185 nan 8.370 nan 0.000 0.523 990 M N 1.828 121.445 119.600 0.029 0.000 2.132 990 M HA -0.120 4.360 4.480 0.000 0.000 0.263 990 M C 2.339 178.650 176.300 0.017 0.000 1.065 990 M CA 0.696 56.014 55.300 0.031 0.000 1.122 990 M CB -1.200 31.425 32.600 0.043 0.000 1.365 990 M HN 0.554 nan 8.290 nan 0.000 0.411 991 C N 0.768 120.075 119.300 0.013 0.000 2.436 991 C HA -0.187 4.273 4.460 0.000 0.000 0.277 991 C C 2.686 177.675 174.990 -0.001 0.000 1.241 991 C CA 1.692 60.713 59.018 0.005 0.000 1.721 991 C CB -0.863 26.877 27.740 0.001 0.000 2.043 991 C HN 0.582 nan 8.230 nan 0.000 0.472 992 E N 1.067 121.266 120.200 -0.002 0.000 2.150 992 E HA -0.108 4.242 4.350 0.000 0.000 0.193 992 E C 1.658 178.252 176.600 -0.009 0.000 0.985 992 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 992 E CB -0.468 29.229 29.700 -0.005 0.000 0.752 992 E HN 0.645 nan 8.360 nan 0.000 0.466 993 N N -0.228 118.468 118.700 -0.007 0.000 2.521 993 N HA 0.035 4.775 4.740 0.000 0.000 0.188 993 N C 0.660 176.154 175.510 -0.026 0.000 1.146 993 N CA 0.962 54.002 53.050 -0.017 0.000 0.893 993 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 993 N HN 0.306 nan 8.380 nan 0.000 0.451 994 G N -0.133 108.657 108.800 -0.018 0.000 2.153 994 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 994 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 994 G C -0.089 174.801 174.900 -0.017 0.000 0.994 994 G CA 0.201 45.289 45.100 -0.019 0.000 0.698 994 G HN 0.202 nan 8.290 nan 0.000 0.521 995 V N 1.439 121.349 119.914 -0.006 0.000 2.267 995 V HA 0.514 4.634 4.120 0.000 0.000 0.254 995 V C 0.750 176.854 176.094 0.016 0.000 1.144 995 V CA 0.077 62.382 62.300 0.008 0.000 0.992 995 V CB 0.548 32.389 31.823 0.029 0.000 1.199 995 V HN 1.035 nan 8.190 nan 0.000 0.493 996 V N 1.792 121.712 119.914 0.011 0.000 3.007 996 V HA 0.911 5.031 4.120 0.000 0.000 0.311 996 V C -0.697 175.404 176.094 0.012 0.000 1.120 996 V CA -0.743 61.564 62.300 0.012 0.000 0.980 996 V CB 2.510 34.337 31.823 0.007 0.000 1.033 996 V HN 0.688 nan 8.190 nan 0.000 0.429 997 E N 1.719 121.926 120.200 0.012 0.000 2.393 997 E HA 0.646 4.996 4.350 0.000 0.000 0.273 997 E C -3.273 173.332 176.600 0.008 0.000 0.918 997 E CA -2.369 54.038 56.400 0.011 0.000 0.773 997 E CB 2.050 31.758 29.700 0.013 0.000 1.275 997 E HN 0.457 nan 8.360 nan 0.000 0.451 998 P HA -0.020 nan 4.420 nan 0.000 0.266 998 P C 0.805 178.108 177.300 0.005 0.000 1.195 998 P CA -0.257 62.845 63.100 0.005 0.000 0.768 998 P CB 0.452 32.154 31.700 0.003 0.000 0.838 999 L N 4.446 125.672 121.223 0.005 0.000 2.046 999 L HA -0.135 4.205 4.340 0.000 0.000 0.208 999 L C 2.401 179.274 176.870 0.005 0.000 1.077 999 L CA 1.791 56.634 54.840 0.005 0.000 0.747 999 L CB -0.847 41.214 42.059 0.004 0.000 0.896 999 L HN 0.294 nan 8.230 nan 0.000 0.432 1000 R N -0.970 119.532 120.500 0.004 0.000 2.117 1000 R HA -0.177 4.163 4.340 0.000 0.000 0.243 1000 R C 2.025 178.328 176.300 0.004 0.000 1.143 1000 R CA 1.988 58.090 56.100 0.003 0.000 0.968 1000 R CB -0.399 29.903 30.300 0.003 0.000 0.863 1000 R HN 0.378 nan 8.270 nan 0.000 0.444 1001 V N 1.286 121.202 119.914 0.004 0.000 2.332 1001 V HA -0.254 3.866 4.120 0.000 0.000 0.248 1001 V C 2.284 178.380 176.094 0.002 0.000 1.055 1001 V CA 1.850 64.152 62.300 0.003 0.000 1.038 1001 V CB -0.347 31.478 31.823 0.003 0.000 0.651 1001 V HN 0.309 nan 8.190 nan 0.000 0.450 1002 K N 0.230 120.632 120.400 0.003 0.000 2.186 1002 K HA -0.034 4.286 4.320 0.000 0.000 0.202 1002 K C 2.262 178.866 176.600 0.007 0.000 1.052 1002 K CA 1.651 57.940 56.287 0.003 0.000 0.965 1002 K CB -0.672 31.830 32.500 0.005 0.000 0.746 1002 K HN 0.718 nan 8.250 nan 0.000 0.457 1003 T N -1.214 113.345 114.554 0.008 0.000 2.978 1003 T HA -0.082 4.268 4.350 0.000 0.000 0.262 1003 T C 2.015 176.723 174.700 0.012 0.000 1.063 1003 T CA 0.696 62.802 62.100 0.010 0.000 1.140 1003 T CB 0.038 68.910 68.868 0.007 0.000 0.886 1003 T HN -0.047 nan 8.240 nan 0.000 0.470 1004 Q N 1.826 121.631 119.800 0.009 0.000 2.123 1004 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 1004 Q C 2.408 178.414 176.000 0.011 0.000 0.966 1004 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 1004 Q CB -0.923 27.818 28.738 0.006 0.000 0.907 1004 Q HN 0.623 nan 8.270 nan 0.000 0.439 1005 A N 0.573 123.397 122.820 0.007 0.000 1.883 1005 A HA -0.174 4.147 4.320 0.000 0.000 0.217 1005 A C 1.952 179.543 177.584 0.011 0.000 1.186 1005 A CA 1.588 53.627 52.037 0.002 0.000 0.624 1005 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 1005 A HN 0.451 nan 8.150 nan 0.000 0.444 1006 I N -0.134 120.451 120.570 0.025 0.000 2.179 1006 I HA -0.263 3.907 4.170 0.000 0.000 0.242 1006 I C 2.660 178.819 176.117 0.069 0.000 1.088 1006 I CA 1.660 62.997 61.300 0.063 0.000 1.357 1006 I CB -1.633 36.413 38.000 0.077 0.000 1.051 1006 I HN 0.493 nan 8.210 nan 0.000 0.409 1007 Q N 0.201 120.027 119.800 0.043 0.000 1.993 1007 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 1007 Q C 2.464 178.488 176.000 0.040 0.000 0.984 1007 Q CA 2.200 58.026 55.803 0.037 0.000 0.837 1007 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 1007 Q HN 0.376 nan 8.270 nan 0.000 0.423 1008 S N 0.502 116.220 115.700 0.030 0.000 2.383 1008 S HA -0.130 4.340 4.470 0.000 0.000 0.227 1008 S C 1.985 176.603 174.600 0.031 0.000 1.026 1008 S CA 0.926 59.142 58.200 0.027 0.000 0.981 1008 S CB -0.261 62.949 63.200 0.017 0.000 0.818 1008 S HN 0.477 nan 8.310 nan 0.000 0.472 1009 A N 1.630 124.467 122.820 0.028 0.000 1.873 1009 A HA 0.156 4.476 4.320 0.000 0.000 0.215 1009 A C 2.363 179.978 177.584 0.051 0.000 1.186 1009 A CA 1.647 53.697 52.037 0.022 0.000 0.616 1009 A CB -1.134 17.862 19.000 -0.007 0.000 0.823 1009 A HN 0.505 nan 8.150 nan 0.000 0.442 1010 A N -0.527 122.347 122.820 0.090 0.000 1.898 1010 A HA -0.119 4.201 4.320 0.000 0.000 0.216 1010 A C 1.943 179.602 177.584 0.125 0.000 1.181 1010 A CA 1.674 53.800 52.037 0.150 0.000 0.620 1010 A CB -0.369 18.747 19.000 0.195 0.000 0.819 1010 A HN 0.453 nan 8.150 nan 0.000 0.442 1011 E N 0.135 120.386 120.200 0.085 0.000 2.107 1011 E HA -0.056 4.295 4.350 0.000 0.000 0.191 1011 E C 2.242 178.881 176.600 0.065 0.000 0.982 1011 E CA 1.242 57.684 56.400 0.070 0.000 0.809 1011 E CB -0.421 29.308 29.700 0.049 0.000 0.756 1011 E HN 0.538 nan 8.360 nan 0.000 0.459 1012 S N 0.427 116.161 115.700 0.057 0.000 2.406 1012 S HA -0.055 4.415 4.470 0.000 0.000 0.228 1012 S C 2.039 176.675 174.600 0.060 0.000 1.020 1012 S CA 1.066 59.296 58.200 0.049 0.000 0.965 1012 S CB -0.109 63.113 63.200 0.036 0.000 0.798 1012 S HN 0.255 nan 8.310 nan 0.000 0.488 1013 T N 1.848 116.449 114.554 0.078 0.000 2.777 1013 T HA -0.085 4.265 4.350 0.000 0.000 0.266 1013 T C 1.847 176.624 174.700 0.128 0.000 1.040 1013 T CA 1.045 63.207 62.100 0.103 0.000 1.141 1013 T CB -0.253 68.694 68.868 0.130 0.000 0.868 1013 T HN 0.356 nan 8.240 nan 0.000 0.444 1014 E N 0.965 121.248 120.200 0.138 0.000 2.118 1014 E HA -0.155 4.195 4.350 0.000 0.000 0.195 1014 E C 2.167 178.812 176.600 0.074 0.000 0.992 1014 E CA 0.870 57.339 56.400 0.115 0.000 0.804 1014 E CB -0.268 29.496 29.700 0.107 0.000 0.741 1014 E HN 0.331 nan 8.360 nan 0.000 0.458 1015 M N 0.936 120.575 119.600 0.065 0.000 2.067 1015 M HA -0.164 4.316 4.480 0.000 0.000 0.260 1015 M C 2.495 178.824 176.300 0.049 0.000 1.069 1015 M CA 1.145 56.475 55.300 0.051 0.000 1.117 1015 M CB -0.861 31.766 32.600 0.046 0.000 1.334 1015 M HN 0.276 nan 8.290 nan 0.000 0.407 1016 L N 0.674 121.929 121.223 0.052 0.000 2.013 1016 L HA -0.264 4.076 4.340 0.000 0.000 0.212 1016 L C 2.284 179.180 176.870 0.043 0.000 1.073 1016 L CA 1.461 56.329 54.840 0.048 0.000 0.753 1016 L CB -0.393 41.692 42.059 0.044 0.000 0.890 1016 L HN 0.355 nan 8.230 nan 0.000 0.432 1017 L N -0.643 120.609 121.223 0.049 0.000 2.201 1017 L HA -0.190 4.150 4.340 0.000 0.000 0.212 1017 L C 2.720 179.603 176.870 0.021 0.000 1.105 1017 L CA 0.911 55.771 54.840 0.033 0.000 0.775 1017 L CB -0.523 41.561 42.059 0.042 0.000 0.913 1017 L HN 0.314 nan 8.230 nan 0.000 0.440 1018 R N 0.191 120.710 120.500 0.031 0.000 2.193 1018 R HA -0.017 4.323 4.340 0.000 0.000 0.213 1018 R C 0.629 176.946 176.300 0.028 0.000 1.055 1018 R CA 0.277 56.394 56.100 0.029 0.000 0.995 1018 R CB 0.305 30.625 30.300 0.034 0.000 0.893 1018 R HN 0.104 nan 8.270 nan 0.000 0.459 1019 I N 3.086 123.675 120.570 0.033 0.000 2.471 1019 I HA -0.022 4.148 4.170 0.000 0.000 0.286 1019 I C 0.189 176.327 176.117 0.035 0.000 1.079 1019 I CA 0.310 61.632 61.300 0.037 0.000 1.398 1019 I CB 1.122 39.150 38.000 0.047 0.000 1.403 1019 I HN 0.219 nan 8.210 nan 0.000 0.530 1020 D N 2.694 123.115 120.400 0.034 0.000 2.540 1020 D HA 0.152 4.792 4.640 0.000 0.000 0.229 1020 D C -0.207 176.120 176.300 0.045 0.000 1.250 1020 D CA -0.137 53.882 54.000 0.033 0.000 0.817 1020 D CB 0.461 41.272 40.800 0.018 0.000 1.060 1020 D HN 0.360 nan 8.370 nan 0.000 0.508 1021 D N 0.209 120.640 120.400 0.050 0.000 2.738 1021 D HA 0.265 4.905 4.640 0.000 0.000 0.218 1021 D C -1.647 174.685 176.300 0.054 0.000 1.345 1021 D CA -0.440 53.590 54.000 0.051 0.000 0.943 1021 D CB 1.999 42.817 40.800 0.031 0.000 1.514 1021 D HN -0.163 nan 8.370 nan 0.000 0.585 1022 V N 4.354 124.313 119.914 0.075 0.000 2.444 1022 V HA 0.554 4.674 4.120 0.000 0.000 0.294 1022 V C -0.135 175.975 176.094 0.026 0.000 1.022 1022 V CA -0.666 61.673 62.300 0.065 0.000 0.850 1022 V CB 1.543 33.431 31.823 0.108 0.000 0.992 1022 V HN 0.416 nan 8.190 nan 0.000 0.426 1023 I N 4.218 124.785 120.570 -0.005 0.000 2.382 1023 I HA 0.681 4.851 4.170 0.000 0.000 0.285 1023 I C 0.368 176.461 176.117 -0.040 0.000 1.007 1023 I CA -0.249 61.029 61.300 -0.037 0.000 1.142 1023 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 1023 I HN 0.645 nan 8.210 nan 0.000 0.453 1024 A N 5.395 128.179 122.820 -0.061 0.000 2.394 1024 A HA 0.862 5.182 4.320 0.000 0.000 0.333 1024 A C 0.342 177.896 177.584 -0.049 0.000 1.397 1024 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 1024 A CB 0.223 19.182 19.000 -0.067 0.000 1.147 1024 A HN 0.752 nan 8.150 nan 0.000 0.505 1025 A N 2.010 124.809 122.820 -0.035 0.000 2.425 1025 A HA 0.502 4.822 4.320 0.000 0.000 0.242 1025 A C 0.584 178.155 177.584 -0.022 0.000 1.077 1025 A CA -0.068 51.952 52.037 -0.029 0.000 0.781 1025 A CB 0.116 19.103 19.000 -0.021 0.000 1.020 1025 A HN 0.860 nan 8.150 nan 0.000 0.494 1026 E N 0.000 120.188 120.200 -0.020 0.000 2.725 1026 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1026 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 1026 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 1026 E HN 0.000 nan 8.360 nan 0.000 0.440