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 3k7d_1_B DATA FIRST_RESID 449 DATA SEQUENCE SEQWRELWQD XXXEDDTTPV LAHLSEDDRK QVLTLIADFR KELDKRTIGP DATA SEQUENCE RGRQVLDHLM PHLLSDVCAR EDAAVTLSRI TALLVGIVTR TTYLELLSEF DATA SEQUENCE PAALKHLISL CAASPMIASQ LARYPLLLDE LLDPNTLYQP TATDAYRDEL DATA SEQUENCE RQYLLRVPED DEEQQLEALR QFKQAQLLRI AAADIAGTLP VMKVSDHLTW DATA SEQUENCE LAEAMIDAVV QQAWVQMVAR YGKPNHLNER EGRGFAVVGY GKLGGWELGY DATA SEQUENCE SSDLDLIFLH DCPMDAMTDG EREIDGRQFY LRLAQRIMHL FSTRTSSGIL DATA SEQUENCE YEVDARLRPS GAAGMLVTSA EAFADYQKNE AWTWEHQALV RARVVYGDPQ DATA SEQUENCE LTAHFDAVRR EIMTLPREGK TLQTEVREMR EKMRAHLGNK HRDRFDIKAD DATA SEQUENCE EGGITDIEFI TQYLVLRYAH EKPKLTRWSD NVRILELLAQ NDIMEEQEAM DATA SEQUENCE ALTRAYTTLR DELHHLALQE LPGHVSEDCF TAERELVRAS WQKWLVEE 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 449 S HA 0.000 nan 4.470 nan 0.000 0.327 449 S C 0.000 174.670 174.600 0.117 0.000 1.055 449 S CA 0.000 58.298 58.200 0.163 0.000 1.107 449 S CB 0.000 63.251 63.200 0.085 0.000 0.593 450 E N 0.209 120.437 120.200 0.047 0.000 2.190 450 E HA 0.115 4.453 4.350 -0.020 0.000 0.191 450 E C 1.724 178.332 176.600 0.013 0.000 0.978 450 E CA 1.573 57.993 56.400 0.033 0.000 0.839 450 E CB -0.068 29.639 29.700 0.012 0.000 0.787 450 E HN 0.577 nan 8.360 nan 0.000 0.473 451 Q N -1.345 118.409 119.800 -0.076 0.000 2.369 451 Q HA -0.062 4.265 4.340 -0.020 0.000 0.206 451 Q C 1.310 177.193 176.000 -0.196 0.000 0.963 451 Q CA 1.161 56.857 55.803 -0.179 0.000 0.894 451 Q CB -0.140 28.412 28.738 -0.310 0.000 0.965 451 Q HN 0.399 nan 8.270 nan 0.000 0.475 452 W N 0.165 121.462 121.300 -0.006 0.000 2.443 452 W HA 0.005 4.653 4.660 -0.020 0.000 0.296 452 W C 2.319 178.859 176.519 0.035 0.000 1.202 452 W CA 0.265 57.606 57.345 -0.006 0.000 1.312 452 W CB 0.050 29.466 29.460 -0.073 0.000 1.120 452 W HN 0.020 nan 8.180 nan 0.000 0.536 453 R N 0.816 121.459 120.500 0.239 0.000 2.096 453 R HA -0.170 4.158 4.340 -0.020 0.000 0.235 453 R C 1.915 178.329 176.300 0.190 0.000 1.127 453 R CA 1.758 57.980 56.100 0.203 0.000 0.968 453 R CB -0.257 30.127 30.300 0.140 0.000 0.861 453 R HN 0.183 nan 8.270 nan 0.000 0.440 454 E N 0.092 120.359 120.200 0.112 0.000 2.110 454 E HA -0.192 4.146 4.350 -0.020 0.000 0.193 454 E C 1.895 178.543 176.600 0.081 0.000 0.988 454 E CA 0.884 57.321 56.400 0.062 0.000 0.804 454 E CB -0.027 29.673 29.700 0.000 0.000 0.745 454 E HN 0.321 nan 8.360 nan 0.000 0.458 455 L N 0.359 121.653 121.223 0.117 0.000 2.131 455 L HA -0.170 4.158 4.340 -0.020 0.000 0.210 455 L C 2.126 179.149 176.870 0.255 0.000 1.092 455 L CA 1.098 56.026 54.840 0.146 0.000 0.759 455 L CB -0.171 41.996 42.059 0.181 0.000 0.903 455 L HN 0.441 nan 8.230 nan 0.000 0.435 456 W N -0.127 121.230 121.300 0.094 0.000 2.526 456 W HA -0.151 4.497 4.660 -0.020 0.000 0.294 456 W C 2.373 178.931 176.519 0.065 0.000 1.181 456 W CA 1.125 58.528 57.345 0.097 0.000 1.373 456 W CB -0.251 29.278 29.460 0.116 0.000 1.112 456 W HN 0.218 nan 8.180 nan 0.000 0.545 457 Q N 1.149 120.944 119.800 -0.008 0.000 2.096 457 Q HA -0.195 4.133 4.340 -0.020 0.000 0.208 457 Q C 0.772 176.672 176.000 -0.167 0.000 0.993 457 Q CA 2.093 57.812 55.803 -0.141 0.000 0.862 457 Q CB -0.908 27.825 28.738 -0.008 0.000 0.915 457 Q HN 0.386 nan 8.270 nan 0.000 0.416 463 D N 1.525 121.922 120.400 -0.006 0.000 2.390 463 D HA 0.098 4.726 4.640 -0.020 0.000 0.249 463 D C 0.355 176.646 176.300 -0.014 0.000 1.144 463 D CA 0.129 54.121 54.000 -0.014 0.000 0.880 463 D CB 1.521 42.309 40.800 -0.021 0.000 1.182 463 D HN -0.062 nan 8.370 nan 0.000 0.451 464 D N 1.329 121.720 120.400 -0.015 0.000 2.162 464 D HA -0.117 4.510 4.640 -0.020 0.000 0.205 464 D C 1.470 177.757 176.300 -0.021 0.000 0.964 464 D CA 1.227 55.218 54.000 -0.015 0.000 0.847 464 D CB 0.271 41.063 40.800 -0.013 0.000 0.988 464 D HN 0.505 nan 8.370 nan 0.000 0.480 465 T N -2.105 112.434 114.554 -0.025 0.000 3.272 465 T HA 0.093 4.431 4.350 -0.020 0.000 0.250 465 T C 0.802 175.478 174.700 -0.041 0.000 1.082 465 T CA -0.254 61.829 62.100 -0.028 0.000 0.968 465 T CB -0.495 68.359 68.868 -0.024 0.000 1.015 465 T HN -0.125 nan 8.240 nan 0.000 0.563 466 T N 3.188 117.710 114.554 -0.053 0.000 2.853 466 T HA 0.182 4.520 4.350 -0.020 0.000 0.298 466 T C -1.416 173.225 174.700 -0.098 0.000 0.978 466 T CA -1.329 60.718 62.100 -0.088 0.000 1.152 466 T CB 0.717 69.518 68.868 -0.112 0.000 0.914 466 T HN 0.055 nan 8.240 nan 0.000 0.539 467 P HA -0.088 nan 4.420 nan 0.000 0.218 467 P C 1.554 178.793 177.300 -0.102 0.000 1.149 467 P CA 0.782 63.829 63.100 -0.089 0.000 0.817 467 P CB -0.221 31.422 31.700 -0.096 0.000 0.785 468 V N -3.748 116.020 119.914 -0.244 0.000 3.140 468 V HA -0.112 3.995 4.120 -0.020 0.000 0.269 468 V C 1.502 177.586 176.094 -0.017 0.000 1.149 468 V CA 1.660 63.759 62.300 -0.335 0.000 1.162 468 V CB -1.357 29.798 31.823 -1.114 0.000 0.756 468 V HN 0.090 nan 8.190 nan 0.000 0.523 469 L N -0.599 120.650 121.223 0.043 0.000 2.858 469 L HA 0.474 4.802 4.340 -0.020 0.000 0.251 469 L C 2.558 179.493 176.870 0.108 0.000 1.149 469 L CA 0.551 55.472 54.840 0.135 0.000 0.955 469 L CB -0.175 41.898 42.059 0.023 0.000 1.289 469 L HN 0.289 nan 8.230 nan 0.000 0.542 470 A N 0.727 123.623 122.820 0.127 0.000 1.978 470 A HA -0.261 4.047 4.320 -0.020 0.000 0.220 470 A C 2.128 179.764 177.584 0.088 0.000 1.170 470 A CA 1.957 54.037 52.037 0.072 0.000 0.636 470 A CB -0.761 18.270 19.000 0.052 0.000 0.810 470 A HN 0.645 nan 8.150 nan 0.000 0.448 471 H N -0.406 118.671 119.070 0.012 0.000 2.489 471 H HA 0.071 4.615 4.556 -0.020 0.000 0.293 471 H C 0.758 176.098 175.328 0.020 0.000 1.066 471 H CA 0.813 56.873 56.048 0.020 0.000 1.305 471 H CB -0.979 28.803 29.762 0.034 0.000 1.386 471 H HN 0.419 nan 8.280 nan 0.000 0.551 472 L N 1.828 122.774 121.223 -0.461 0.000 2.468 472 L HA 0.178 4.506 4.340 -0.020 0.000 0.254 472 L C 0.907 177.692 176.870 -0.141 0.000 1.171 472 L CA -0.530 54.102 54.840 -0.347 0.000 0.809 472 L CB 0.894 42.728 42.059 -0.375 0.000 1.155 472 L HN 0.208 nan 8.230 nan 0.000 0.473 473 S N -0.944 114.697 115.700 -0.097 0.000 2.617 473 S HA 0.158 4.616 4.470 -0.020 0.000 0.269 473 S C 0.730 175.302 174.600 -0.046 0.000 1.292 473 S CA -0.782 57.386 58.200 -0.053 0.000 1.010 473 S CB 1.306 64.484 63.200 -0.037 0.000 0.944 473 S HN 0.649 nan 8.310 nan 0.000 0.536 474 E N 1.358 121.540 120.200 -0.030 0.000 2.055 474 E HA -0.279 4.059 4.350 -0.020 0.000 0.209 474 E C 1.322 177.909 176.600 -0.022 0.000 1.036 474 E CA 2.234 58.620 56.400 -0.023 0.000 0.849 474 E CB -0.506 29.184 29.700 -0.016 0.000 0.767 474 E HN 0.750 nan 8.360 nan 0.000 0.461 475 D N 0.402 120.791 120.400 -0.018 0.000 2.133 475 D HA -0.146 4.482 4.640 -0.020 0.000 0.195 475 D C 1.626 177.917 176.300 -0.016 0.000 0.997 475 D CA 1.237 55.229 54.000 -0.014 0.000 0.840 475 D CB -0.249 40.544 40.800 -0.011 0.000 0.947 475 D HN 0.113 nan 8.370 nan 0.000 0.452 476 D N -0.678 119.706 120.400 -0.027 0.000 2.137 476 D HA -0.044 4.584 4.640 -0.020 0.000 0.202 476 D C 2.010 178.290 176.300 -0.032 0.000 0.970 476 D CA 0.445 54.426 54.000 -0.031 0.000 0.837 476 D CB -0.062 40.709 40.800 -0.049 0.000 0.981 476 D HN 0.078 nan 8.370 nan 0.000 0.475 477 R N 0.964 121.436 120.500 -0.045 0.000 2.080 477 R HA -0.208 4.120 4.340 -0.020 0.000 0.236 477 R C 2.409 178.705 176.300 -0.007 0.000 1.137 477 R CA 2.698 58.779 56.100 -0.032 0.000 0.943 477 R CB -0.206 30.070 30.300 -0.040 0.000 0.846 477 R HN 0.090 nan 8.270 nan 0.000 0.431 478 K N 0.596 120.992 120.400 -0.007 0.000 2.044 478 K HA -0.271 4.037 4.320 -0.020 0.000 0.210 478 K C 1.959 178.565 176.600 0.011 0.000 1.049 478 K CA 1.961 58.249 56.287 0.002 0.000 0.927 478 K CB -1.123 31.376 32.500 -0.002 0.000 0.713 478 K HN 0.459 nan 8.250 nan 0.000 0.443 479 Q N 0.345 120.150 119.800 0.008 0.000 2.050 479 Q HA -0.072 4.256 4.340 -0.020 0.000 0.202 479 Q C 2.123 178.140 176.000 0.028 0.000 0.980 479 Q CA 2.125 57.937 55.803 0.015 0.000 0.840 479 Q CB -0.562 28.180 28.738 0.007 0.000 0.898 479 Q HN 0.346 nan 8.270 nan 0.000 0.424 480 V N 0.389 120.321 119.914 0.029 0.000 2.332 480 V HA -0.262 3.846 4.120 -0.020 0.000 0.248 480 V C 2.316 178.453 176.094 0.073 0.000 1.055 480 V CA 1.807 64.138 62.300 0.052 0.000 1.038 480 V CB -0.522 31.336 31.823 0.058 0.000 0.651 480 V HN 0.374 nan 8.190 nan 0.000 0.450 481 L N -0.813 120.446 121.223 0.060 0.000 2.156 481 L HA -0.133 4.195 4.340 -0.020 0.000 0.208 481 L C 2.600 179.510 176.870 0.068 0.000 1.095 481 L CA 1.589 56.469 54.840 0.068 0.000 0.770 481 L CB -0.642 41.443 42.059 0.044 0.000 0.914 481 L HN 0.341 nan 8.230 nan 0.000 0.439 482 T N 0.255 114.841 114.554 0.053 0.000 2.622 482 T HA -0.223 4.115 4.350 -0.020 0.000 0.266 482 T C 1.875 176.622 174.700 0.080 0.000 1.047 482 T CA 1.561 63.693 62.100 0.054 0.000 1.159 482 T CB -0.303 68.588 68.868 0.039 0.000 0.863 482 T HN 0.199 nan 8.240 nan 0.000 0.422 483 L N 0.022 121.295 121.223 0.084 0.000 2.131 483 L HA -0.052 4.276 4.340 -0.020 0.000 0.210 483 L C 2.430 179.405 176.870 0.176 0.000 1.092 483 L CA 1.036 55.939 54.840 0.106 0.000 0.759 483 L CB -0.560 41.542 42.059 0.071 0.000 0.903 483 L HN 0.271 nan 8.230 nan 0.000 0.435 484 I N -0.207 120.475 120.570 0.185 0.000 2.163 484 I HA -0.260 3.897 4.170 -0.020 0.000 0.240 484 I C 2.682 178.979 176.117 0.300 0.000 1.081 484 I CA 1.329 62.801 61.300 0.288 0.000 1.353 484 I CB -0.258 37.900 38.000 0.263 0.000 1.054 484 I HN 0.186 nan 8.210 nan 0.000 0.407 485 A N -0.405 122.514 122.820 0.164 0.000 2.016 485 A HA -0.177 4.131 4.320 -0.020 0.000 0.217 485 A C 1.911 179.549 177.584 0.091 0.000 1.162 485 A CA 1.341 53.428 52.037 0.084 0.000 0.662 485 A CB -0.429 18.590 19.000 0.031 0.000 0.812 485 A HN 0.314 nan 8.150 nan 0.000 0.450 486 D N -0.747 119.730 120.400 0.129 0.000 2.104 486 D HA -0.157 4.471 4.640 -0.020 0.000 0.194 486 D C 1.550 177.961 176.300 0.186 0.000 0.994 486 D CA 1.297 55.374 54.000 0.128 0.000 0.830 486 D CB -0.348 40.529 40.800 0.128 0.000 0.959 486 D HN 0.422 nan 8.370 nan 0.000 0.452 487 F N 1.486 121.504 119.950 0.112 0.000 2.234 487 F HA -0.039 4.476 4.527 -0.020 0.000 0.299 487 F C 2.326 178.242 175.800 0.194 0.000 1.087 487 F CA 1.064 59.157 58.000 0.155 0.000 1.340 487 F CB -0.112 39.004 39.000 0.192 0.000 1.031 487 F HN -0.197 nan 8.300 nan 0.000 0.500 488 R N 0.221 120.765 120.500 0.074 0.000 2.092 488 R HA -0.126 4.202 4.340 -0.020 0.000 0.231 488 R C 2.305 178.512 176.300 -0.153 0.000 1.119 488 R CA 1.544 57.554 56.100 -0.150 0.000 0.970 488 R CB -0.116 30.019 30.300 -0.275 0.000 0.864 488 R HN 0.092 nan 8.270 nan 0.000 0.440 489 K N 0.280 120.636 120.400 -0.074 0.000 2.217 489 K HA -0.032 4.275 4.320 -0.020 0.000 0.202 489 K C 1.830 178.397 176.600 -0.056 0.000 1.051 489 K CA 0.950 57.202 56.287 -0.058 0.000 0.952 489 K CB -0.199 32.288 32.500 -0.022 0.000 0.736 489 K HN 0.321 nan 8.250 nan 0.000 0.453 490 E N 0.624 120.790 120.200 -0.058 0.000 2.150 490 E HA -0.014 4.324 4.350 -0.020 0.000 0.193 490 E C 1.949 178.486 176.600 -0.105 0.000 0.985 490 E CA 0.883 57.252 56.400 -0.052 0.000 0.814 490 E CB -0.113 29.592 29.700 0.009 0.000 0.752 490 E HN 0.370 nan 8.360 nan 0.000 0.466 491 L N 0.881 121.985 121.223 -0.199 0.000 2.141 491 L HA -0.162 4.166 4.340 -0.020 0.000 0.209 491 L C 1.726 178.545 176.870 -0.084 0.000 1.094 491 L CA 0.973 55.713 54.840 -0.167 0.000 0.763 491 L CB -0.240 41.703 42.059 -0.194 0.000 0.908 491 L HN -0.013 nan 8.230 nan 0.000 0.437 492 D N -0.238 120.114 120.400 -0.080 0.000 2.363 492 D HA -0.127 4.500 4.640 -0.020 0.000 0.220 492 D C 1.911 178.190 176.300 -0.035 0.000 0.994 492 D CA 0.607 54.575 54.000 -0.054 0.000 0.890 492 D CB 0.381 41.145 40.800 -0.060 0.000 0.906 492 D HN 0.394 nan 8.370 nan 0.000 0.530 493 K N 1.143 121.524 120.400 -0.032 0.000 2.063 493 K HA 0.032 4.339 4.320 -0.020 0.000 0.204 493 K C 1.773 178.369 176.600 -0.008 0.000 1.039 493 K CA 0.256 56.534 56.287 -0.015 0.000 0.957 493 K CB 0.326 32.821 32.500 -0.009 0.000 0.764 493 K HN -0.170 nan 8.250 nan 0.000 0.447 494 R N 1.176 121.673 120.500 -0.006 0.000 2.320 494 R HA 0.012 4.339 4.340 -0.020 0.000 0.211 494 R C -0.440 175.865 176.300 0.008 0.000 0.931 494 R CA 0.287 56.391 56.100 0.007 0.000 1.071 494 R CB 0.016 30.326 30.300 0.017 0.000 1.025 494 R HN 0.328 nan 8.270 nan 0.000 0.495 495 T N 0.808 115.363 114.554 0.001 0.000 0.831 495 T HA -0.201 4.137 4.350 -0.020 0.000 0.756 495 T C 0.864 175.572 174.700 0.014 0.000 0.992 495 T CA 0.257 62.361 62.100 0.005 0.000 3.965 495 T CB -0.252 68.618 68.868 0.002 0.000 2.205 495 T HN 0.226 nan 8.240 nan 0.000 0.387 496 I N 4.139 124.721 120.570 0.020 0.000 3.098 496 I HA 0.604 4.762 4.170 -0.020 0.000 0.241 496 I C 1.235 177.365 176.117 0.022 0.000 1.081 496 I CA 1.903 63.218 61.300 0.025 0.000 1.487 496 I CB 0.309 38.331 38.000 0.036 0.000 1.366 496 I HN 1.021 nan 8.210 nan 0.000 0.463 497 G N 0.385 109.199 108.800 0.024 0.000 2.336 497 G HA2 0.139 4.087 3.960 -0.020 0.000 0.300 497 G HA3 0.139 4.087 3.960 -0.020 0.000 0.300 497 G C -2.545 172.369 174.900 0.024 0.000 1.375 497 G CA -0.034 45.078 45.100 0.020 0.000 0.885 497 G HN 0.040 nan 8.290 nan 0.000 0.599 498 P HA -0.199 nan 4.420 nan 0.000 0.216 498 P C 2.303 179.617 177.300 0.025 0.000 1.157 498 P CA 3.090 66.203 63.100 0.022 0.000 0.880 498 P CB -0.192 31.518 31.700 0.016 0.000 0.791 499 R N 0.306 120.818 120.500 0.019 0.000 2.112 499 R HA -0.153 4.175 4.340 -0.020 0.000 0.242 499 R C 2.727 179.044 176.300 0.028 0.000 1.137 499 R CA 2.500 58.610 56.100 0.017 0.000 0.944 499 R CB -2.511 27.796 30.300 0.011 0.000 0.857 499 R HN 0.456 nan 8.270 nan 0.000 0.435 500 G N 0.733 109.555 108.800 0.036 0.000 2.424 500 G HA2 -0.219 3.729 3.960 -0.020 0.000 0.214 500 G HA3 -0.219 3.729 3.960 -0.020 0.000 0.214 500 G C 1.879 176.818 174.900 0.066 0.000 1.202 500 G CA 0.738 45.868 45.100 0.051 0.000 0.793 500 G HN 0.618 nan 8.290 nan 0.000 0.534 501 R N -0.063 120.476 120.500 0.064 0.000 2.096 501 R HA -0.117 4.211 4.340 -0.020 0.000 0.240 501 R C 2.579 178.944 176.300 0.108 0.000 1.139 501 R CA 1.335 57.487 56.100 0.085 0.000 0.952 501 R CB -0.667 29.673 30.300 0.068 0.000 0.854 501 R HN 0.320 nan 8.270 nan 0.000 0.436 502 Q N 0.744 120.595 119.800 0.084 0.000 1.975 502 Q HA -0.141 4.187 4.340 -0.020 0.000 0.205 502 Q C 2.412 178.475 176.000 0.105 0.000 0.990 502 Q CA 2.016 57.873 55.803 0.090 0.000 0.845 502 Q CB -0.307 28.463 28.738 0.054 0.000 0.913 502 Q HN 0.248 nan 8.270 nan 0.000 0.420 503 V N 1.508 121.468 119.914 0.077 0.000 2.324 503 V HA -0.288 3.820 4.120 -0.020 0.000 0.250 503 V C 2.566 178.723 176.094 0.106 0.000 1.060 503 V CA 1.552 63.899 62.300 0.078 0.000 1.042 503 V CB -0.809 31.044 31.823 0.050 0.000 0.650 503 V HN 0.316 nan 8.190 nan 0.000 0.450 504 L N -0.059 121.227 121.223 0.103 0.000 2.043 504 L HA -0.239 4.088 4.340 -0.020 0.000 0.212 504 L C 2.370 179.269 176.870 0.049 0.000 1.075 504 L CA 1.903 56.794 54.840 0.086 0.000 0.752 504 L CB -0.609 41.533 42.059 0.139 0.000 0.891 504 L HN 0.372 nan 8.230 nan 0.000 0.432 505 D N -1.886 118.615 120.400 0.168 0.000 2.224 505 D HA -0.186 4.441 4.640 -0.020 0.000 0.205 505 D C 1.923 178.319 176.300 0.159 0.000 0.965 505 D CA 0.976 55.120 54.000 0.239 0.000 0.852 505 D CB -0.004 40.993 40.800 0.328 0.000 0.947 505 D HN 0.426 nan 8.370 nan 0.000 0.494 506 H N -0.512 118.594 119.070 0.059 0.000 2.482 506 H HA 0.063 4.607 4.556 -0.020 0.000 0.286 506 H C 1.819 177.165 175.328 0.029 0.000 1.017 506 H CA 0.573 56.655 56.048 0.056 0.000 1.322 506 H CB 0.106 29.884 29.762 0.027 0.000 1.426 506 H HN 0.023 nan 8.280 nan 0.000 0.546 507 L N -0.411 120.837 121.223 0.041 0.000 2.068 507 L HA -0.041 4.286 4.340 -0.020 0.000 0.204 507 L C 1.760 178.544 176.870 -0.143 0.000 1.076 507 L CA 1.459 56.276 54.840 -0.038 0.000 0.753 507 L CB -0.540 41.515 42.059 -0.007 0.000 0.910 507 L HN 0.289 nan 8.230 nan 0.000 0.439 508 M N -0.139 119.286 119.600 -0.291 0.000 2.132 508 M HA -0.039 4.429 4.480 -0.020 0.000 0.263 508 M C -0.064 176.041 176.300 -0.325 0.000 1.065 508 M CA 1.523 56.522 55.300 -0.501 0.000 1.122 508 M CB -2.233 29.592 32.600 -1.291 0.000 1.365 508 M HN 0.157 nan 8.290 nan 0.000 0.411 509 P HA -0.117 nan 4.420 nan 0.000 0.215 509 P C 1.212 178.390 177.300 -0.202 0.000 1.157 509 P CA 1.538 64.597 63.100 -0.070 0.000 0.868 509 P CB -0.214 31.480 31.700 -0.009 0.000 0.788 510 H N -1.267 117.660 119.070 -0.239 0.000 2.321 510 H HA -0.076 4.468 4.556 -0.020 0.000 0.300 510 H C 2.003 177.161 175.328 -0.284 0.000 1.087 510 H CA 1.233 57.116 56.048 -0.275 0.000 1.319 510 H CB -1.025 28.582 29.762 -0.258 0.000 1.379 510 H HN -0.024 nan 8.280 nan 0.000 0.501 511 L N 0.035 121.184 121.223 -0.124 0.000 1.989 511 L HA -0.212 4.116 4.340 -0.020 0.000 0.211 511 L C 1.871 178.619 176.870 -0.203 0.000 1.071 511 L CA 1.430 56.176 54.840 -0.157 0.000 0.749 511 L CB -0.291 41.673 42.059 -0.158 0.000 0.890 511 L HN 0.259 nan 8.230 nan 0.000 0.431 512 L N -0.446 120.662 121.223 -0.191 0.000 2.083 512 L HA -0.196 4.131 4.340 -0.020 0.000 0.209 512 L C 2.817 179.441 176.870 -0.411 0.000 1.083 512 L CA 1.386 56.152 54.840 -0.124 0.000 0.752 512 L CB -0.663 41.454 42.059 0.096 0.000 0.899 512 L HN 0.499 nan 8.230 nan 0.000 0.433 513 S N -1.288 113.872 115.700 -0.900 0.000 2.442 513 S HA -0.158 4.299 4.470 -0.020 0.000 0.236 513 S C 1.384 175.379 174.600 -1.009 0.000 1.007 513 S CA 1.223 58.209 58.200 -2.025 0.000 0.965 513 S CB -0.245 61.669 63.200 -2.142 0.000 0.773 513 S HN 0.419 nan 8.310 nan 0.000 0.504 514 D N 1.262 121.343 120.400 -0.532 0.000 2.290 514 D HA 0.104 4.732 4.640 -0.020 0.000 0.224 514 D C 2.261 178.459 176.300 -0.170 0.000 0.967 514 D CA 0.866 54.692 54.000 -0.290 0.000 0.893 514 D CB -0.614 40.063 40.800 -0.206 0.000 1.037 514 D HN 0.289 nan 8.370 nan 0.000 0.477 515 V N 1.507 121.338 119.914 -0.138 0.000 2.278 515 V HA -0.291 3.816 4.120 -0.020 0.000 0.251 515 V C 2.557 178.662 176.094 0.018 0.000 1.062 515 V CA 1.562 63.830 62.300 -0.055 0.000 1.038 515 V CB -0.554 31.239 31.823 -0.050 0.000 0.646 515 V HN 0.288 nan 8.190 nan 0.000 0.447 516 C N -0.029 119.302 119.300 0.052 0.000 2.539 516 C HA 0.296 4.743 4.460 -0.020 0.000 0.268 516 C C 2.798 178.006 174.990 0.363 0.000 1.395 516 C CA 0.029 59.194 59.018 0.246 0.000 1.757 516 C CB -1.409 26.592 27.740 0.434 0.000 1.851 516 C HN 0.616 nan 8.230 nan 0.000 0.545 517 A N 0.700 123.618 122.820 0.164 0.000 2.067 517 A HA 0.033 4.341 4.320 -0.020 0.000 0.217 517 A C 1.227 178.878 177.584 0.112 0.000 1.156 517 A CA 0.415 52.491 52.037 0.066 0.000 0.683 517 A CB -0.169 18.805 19.000 -0.044 0.000 0.808 517 A HN 0.665 nan 8.150 nan 0.000 0.455 518 R N 0.002 120.580 120.500 0.129 0.000 2.679 518 R HA 0.119 4.447 4.340 -0.020 0.000 0.269 518 R C 0.990 177.390 176.300 0.166 0.000 1.076 518 R CA -0.263 55.901 56.100 0.108 0.000 1.160 518 R CB 0.462 30.794 30.300 0.054 0.000 1.054 518 R HN 0.305 nan 8.270 nan 0.000 0.507 519 E N 1.733 122.002 120.200 0.116 0.000 2.110 519 E HA -0.184 4.154 4.350 -0.020 0.000 0.193 519 E C 0.150 176.781 176.600 0.051 0.000 0.988 519 E CA 1.541 57.997 56.400 0.093 0.000 0.804 519 E CB 0.058 29.796 29.700 0.064 0.000 0.745 519 E HN 0.625 nan 8.360 nan 0.000 0.458 520 D N -0.901 119.525 120.400 0.043 0.000 2.561 520 D HA 0.171 4.799 4.640 -0.020 0.000 0.232 520 D C 1.055 177.369 176.300 0.023 0.000 1.198 520 D CA 0.470 54.485 54.000 0.024 0.000 0.826 520 D CB 0.364 41.175 40.800 0.017 0.000 0.992 520 D HN 0.095 nan 8.370 nan 0.000 0.490 521 A N 0.732 123.574 122.820 0.036 0.000 1.933 521 A HA 0.034 4.342 4.320 -0.020 0.000 0.218 521 A C 2.344 179.942 177.584 0.023 0.000 1.175 521 A CA 1.661 53.724 52.037 0.043 0.000 0.628 521 A CB -0.756 18.293 19.000 0.082 0.000 0.814 521 A HN 0.425 nan 8.150 nan 0.000 0.444 522 A N -0.741 122.086 122.820 0.012 0.000 1.898 522 A HA 0.042 4.349 4.320 -0.020 0.000 0.216 522 A C 2.219 179.805 177.584 0.003 0.000 1.181 522 A CA 1.745 53.787 52.037 0.008 0.000 0.620 522 A CB -0.809 18.191 19.000 0.000 0.000 0.819 522 A HN 0.377 nan 8.150 nan 0.000 0.442 523 V N -0.375 119.539 119.914 -0.001 0.000 2.453 523 V HA -0.169 3.939 4.120 -0.020 0.000 0.247 523 V C 2.712 178.798 176.094 -0.014 0.000 1.048 523 V CA 2.325 64.620 62.300 -0.008 0.000 1.049 523 V CB -1.077 30.742 31.823 -0.008 0.000 0.672 523 V HN 0.595 nan 8.190 nan 0.000 0.457 524 T N 0.528 115.076 114.554 -0.010 0.000 2.737 524 T HA -0.154 4.184 4.350 -0.020 0.000 0.265 524 T C 1.912 176.592 174.700 -0.033 0.000 1.038 524 T CA 1.542 63.631 62.100 -0.019 0.000 1.144 524 T CB -0.338 68.523 68.868 -0.011 0.000 0.866 524 T HN 0.232 nan 8.240 nan 0.000 0.434 525 L N 1.573 122.782 121.223 -0.024 0.000 1.989 525 L HA -0.093 4.234 4.340 -0.020 0.000 0.211 525 L C 2.680 179.516 176.870 -0.056 0.000 1.071 525 L CA 2.035 56.852 54.840 -0.040 0.000 0.749 525 L CB -1.306 40.748 42.059 -0.007 0.000 0.890 525 L HN 0.267 nan 8.230 nan 0.000 0.431 526 S N -0.679 115.002 115.700 -0.032 0.000 2.372 526 S HA -0.291 4.167 4.470 -0.020 0.000 0.227 526 S C 2.199 176.769 174.600 -0.050 0.000 1.044 526 S CA 1.779 59.960 58.200 -0.030 0.000 1.050 526 S CB -0.285 62.906 63.200 -0.014 0.000 0.901 526 S HN 0.555 nan 8.310 nan 0.000 0.447 527 R N -0.039 120.431 120.500 -0.050 0.000 2.081 527 R HA 0.022 4.350 4.340 -0.020 0.000 0.235 527 R C 2.363 178.613 176.300 -0.084 0.000 1.131 527 R CA 1.796 57.861 56.100 -0.059 0.000 0.960 527 R CB -0.474 29.795 30.300 -0.051 0.000 0.856 527 R HN 0.483 nan 8.270 nan 0.000 0.436 528 I N 0.392 120.901 120.570 -0.102 0.000 2.353 528 I HA -0.216 3.941 4.170 -0.020 0.000 0.248 528 I C 2.435 178.419 176.117 -0.220 0.000 1.119 528 I CA 1.447 62.663 61.300 -0.141 0.000 1.417 528 I CB -0.301 37.617 38.000 -0.137 0.000 1.078 528 I HN 0.318 nan 8.210 nan 0.000 0.421 529 T N -0.899 113.497 114.554 -0.263 0.000 2.867 529 T HA -0.079 4.259 4.350 -0.020 0.000 0.268 529 T C 1.931 176.505 174.700 -0.210 0.000 1.057 529 T CA 0.918 62.767 62.100 -0.418 0.000 1.136 529 T CB -0.484 68.180 68.868 -0.340 0.000 0.874 529 T HN 0.314 nan 8.240 nan 0.000 0.466 530 A N 0.825 123.580 122.820 -0.108 0.000 2.121 530 A HA 0.305 4.613 4.320 -0.020 0.000 0.218 530 A C 2.247 179.798 177.584 -0.054 0.000 1.154 530 A CA 1.013 53.021 52.037 -0.049 0.000 0.679 530 A CB -0.666 18.310 19.000 -0.040 0.000 0.795 530 A HN 0.606 nan 8.150 nan 0.000 0.458 531 L N -1.242 119.929 121.223 -0.088 0.000 2.200 531 L HA 0.119 4.446 4.340 -0.020 0.000 0.200 531 L C 2.184 179.018 176.870 -0.061 0.000 1.072 531 L CA 0.726 55.518 54.840 -0.079 0.000 0.787 531 L CB -0.197 41.807 42.059 -0.091 0.000 0.957 531 L HN 0.329 nan 8.230 nan 0.000 0.459 532 L N -0.607 120.561 121.223 -0.092 0.000 2.017 532 L HA -0.212 4.115 4.340 -0.020 0.000 0.208 532 L C 2.588 179.528 176.870 0.116 0.000 1.073 532 L CA 1.019 55.846 54.840 -0.022 0.000 0.745 532 L CB -0.760 41.213 42.059 -0.143 0.000 0.894 532 L HN 0.120 nan 8.230 nan 0.000 0.432 533 V N 0.639 120.645 119.914 0.153 0.000 2.278 533 V HA -0.312 3.795 4.120 -0.020 0.000 0.251 533 V C 2.626 178.796 176.094 0.126 0.000 1.062 533 V CA 2.256 64.700 62.300 0.240 0.000 1.038 533 V CB -1.175 30.775 31.823 0.212 0.000 0.646 533 V HN 0.621 nan 8.190 nan 0.000 0.447 534 G N 0.221 109.057 108.800 0.061 0.000 2.469 534 G HA2 -0.260 3.688 3.960 -0.020 0.000 0.220 534 G HA3 -0.260 3.688 3.960 -0.020 0.000 0.220 534 G C 1.287 176.212 174.900 0.042 0.000 1.136 534 G CA 1.406 46.522 45.100 0.027 0.000 0.759 534 G HN 0.763 nan 8.290 nan 0.000 0.562 535 I N -2.438 118.167 120.570 0.057 0.000 4.025 535 I HA 0.419 4.576 4.170 -0.020 0.000 0.336 535 I C 1.697 177.891 176.117 0.127 0.000 1.390 535 I CA -0.292 61.060 61.300 0.086 0.000 1.099 535 I CB 0.754 38.787 38.000 0.055 0.000 1.049 535 I HN -0.138 nan 8.210 nan 0.000 0.394 536 V N 1.690 121.684 119.914 0.133 0.000 2.660 536 V HA -0.256 3.852 4.120 -0.020 0.000 0.257 536 V C 2.406 178.566 176.094 0.110 0.000 1.088 536 V CA 2.793 65.180 62.300 0.145 0.000 1.106 536 V CB -0.841 31.078 31.823 0.161 0.000 0.686 536 V HN 0.653 nan 8.190 nan 0.000 0.481 537 T N -1.065 113.549 114.554 0.099 0.000 2.809 537 T HA 0.002 4.340 4.350 -0.020 0.000 0.260 537 T C 1.039 175.792 174.700 0.087 0.000 1.039 537 T CA 0.503 62.651 62.100 0.081 0.000 1.141 537 T CB -0.087 68.824 68.868 0.071 0.000 0.869 537 T HN 0.377 nan 8.240 nan 0.000 0.437 538 R N 2.019 122.594 120.500 0.125 0.000 2.248 538 R HA 0.268 4.596 4.340 -0.020 0.000 0.337 538 R C 1.116 177.478 176.300 0.103 0.000 1.085 538 R CA -0.096 56.079 56.100 0.126 0.000 0.934 538 R CB 0.475 30.929 30.300 0.256 0.000 1.034 538 R HN 0.123 nan 8.270 nan 0.000 0.465 539 T N 0.419 114.996 114.554 0.039 0.000 2.812 539 T HA -0.171 4.167 4.350 -0.020 0.000 0.264 539 T C 2.050 176.753 174.700 0.004 0.000 1.042 539 T CA 1.955 64.075 62.100 0.033 0.000 1.140 539 T CB -0.023 68.855 68.868 0.017 0.000 0.870 539 T HN 0.728 nan 8.240 nan 0.000 0.445 540 T N 0.342 114.846 114.554 -0.083 0.000 2.869 540 T HA -0.187 4.151 4.350 -0.020 0.000 0.270 540 T C 1.547 176.160 174.700 -0.145 0.000 1.082 540 T CA 1.211 63.218 62.100 -0.154 0.000 1.123 540 T CB -0.485 68.228 68.868 -0.259 0.000 0.856 540 T HN 0.433 nan 8.240 nan 0.000 0.499 541 Y N 0.531 120.860 120.300 0.047 0.000 2.347 541 Y HA 0.398 4.936 4.550 -0.020 0.000 0.294 541 Y C 2.261 178.192 175.900 0.052 0.000 1.117 541 Y CA -0.044 58.084 58.100 0.048 0.000 1.184 541 Y CB -0.359 38.124 38.460 0.039 0.000 1.047 541 Y HN 0.185 nan 8.280 nan 0.000 0.546 542 L N -0.296 121.044 121.223 0.195 0.000 2.056 542 L HA -0.187 4.141 4.340 -0.020 0.000 0.207 542 L C 2.224 179.158 176.870 0.107 0.000 1.078 542 L CA 1.414 56.332 54.840 0.131 0.000 0.749 542 L CB -0.487 41.637 42.059 0.108 0.000 0.901 542 L HN 0.193 nan 8.230 nan 0.000 0.433 543 E N 0.059 120.311 120.200 0.088 0.000 2.070 543 E HA -0.283 4.055 4.350 -0.020 0.000 0.197 543 E C 2.151 178.831 176.600 0.133 0.000 1.004 543 E CA 1.218 57.658 56.400 0.068 0.000 0.805 543 E CB -0.166 29.556 29.700 0.038 0.000 0.744 543 E HN 0.207 nan 8.360 nan 0.000 0.451 544 L N 0.571 121.909 121.223 0.191 0.000 2.129 544 L HA -0.198 4.130 4.340 -0.020 0.000 0.212 544 L C 1.953 179.009 176.870 0.310 0.000 1.087 544 L CA 1.499 56.519 54.840 0.300 0.000 0.757 544 L CB -0.166 42.028 42.059 0.225 0.000 0.896 544 L HN 0.169 nan 8.230 nan 0.000 0.434 545 L N -2.244 119.090 121.223 0.185 0.000 2.202 545 L HA -0.008 4.320 4.340 -0.020 0.000 0.205 545 L C 2.718 179.645 176.870 0.095 0.000 1.083 545 L CA 0.865 55.783 54.840 0.129 0.000 0.790 545 L CB -0.918 41.184 42.059 0.072 0.000 0.942 545 L HN 0.316 nan 8.230 nan 0.000 0.452 546 S N 0.414 116.159 115.700 0.076 0.000 2.355 546 S HA -0.196 4.262 4.470 -0.020 0.000 0.222 546 S C 1.949 176.524 174.600 -0.041 0.000 1.031 546 S CA 1.294 59.521 58.200 0.045 0.000 0.993 546 S CB -0.307 62.930 63.200 0.062 0.000 0.859 546 S HN 0.355 nan 8.310 nan 0.000 0.453 547 E N -0.575 119.555 120.200 -0.115 0.000 2.160 547 E HA -0.071 4.267 4.350 -0.020 0.000 0.195 547 E C -0.597 175.680 176.600 -0.538 0.000 0.991 547 E CA 0.731 56.869 56.400 -0.437 0.000 0.810 547 E CB -0.077 29.162 29.700 -0.769 0.000 0.742 547 E HN 0.662 nan 8.360 nan 0.000 0.466 548 F N -0.082 119.855 119.950 -0.021 0.000 2.564 548 F HA 0.258 4.773 4.527 -0.020 0.000 0.368 548 F C -1.805 173.972 175.800 -0.039 0.000 1.127 548 F CA -2.502 55.486 58.000 -0.020 0.000 1.170 548 F CB 1.526 40.526 39.000 -0.001 0.000 1.397 548 F HN -0.178 nan 8.300 nan 0.000 0.493 549 P HA -0.355 nan 4.420 nan 0.000 0.219 549 P C 1.735 179.035 177.300 -0.001 0.000 1.161 549 P CA 2.614 65.717 63.100 0.005 0.000 0.909 549 P CB 0.236 31.927 31.700 -0.015 0.000 0.793 550 A N -0.247 122.596 122.820 0.038 0.000 1.869 550 A HA -0.261 4.047 4.320 -0.020 0.000 0.218 550 A C 2.392 179.937 177.584 -0.064 0.000 1.203 550 A CA 3.034 55.047 52.037 -0.039 0.000 0.638 550 A CB -1.734 17.315 19.000 0.083 0.000 0.831 550 A HN 0.240 nan 8.150 nan 0.000 0.450 551 A N -0.807 122.054 122.820 0.068 0.000 1.873 551 A HA -0.132 4.176 4.320 -0.020 0.000 0.218 551 A C 2.199 179.799 177.584 0.027 0.000 1.193 551 A CA 2.028 54.106 52.037 0.068 0.000 0.629 551 A CB -0.788 18.252 19.000 0.066 0.000 0.826 551 A HN 0.821 nan 8.150 nan 0.000 0.447 552 L N 0.086 121.316 121.223 0.011 0.000 2.046 552 L HA -0.174 4.154 4.340 -0.020 0.000 0.208 552 L C 2.398 179.231 176.870 -0.062 0.000 1.077 552 L CA 2.749 57.577 54.840 -0.021 0.000 0.747 552 L CB -0.559 41.484 42.059 -0.025 0.000 0.896 552 L HN 0.530 nan 8.230 nan 0.000 0.432 553 K N -1.687 118.637 120.400 -0.127 0.000 2.032 553 K HA -0.246 4.062 4.320 -0.020 0.000 0.209 553 K C 2.134 178.650 176.600 -0.140 0.000 1.048 553 K CA 1.783 57.963 56.287 -0.179 0.000 0.927 553 K CB -0.273 32.062 32.500 -0.276 0.000 0.712 553 K HN 0.492 nan 8.250 nan 0.000 0.441 554 H N 0.936 120.026 119.070 0.034 0.000 2.357 554 H HA -0.130 4.414 4.556 -0.020 0.000 0.301 554 H C 2.147 177.479 175.328 0.007 0.000 1.082 554 H CA 1.135 57.211 56.048 0.046 0.000 1.342 554 H CB -0.474 29.303 29.762 0.025 0.000 1.389 554 H HN 0.193 nan 8.280 nan 0.000 0.511 555 L N 1.296 122.570 121.223 0.084 0.000 1.997 555 L HA -0.210 4.118 4.340 -0.020 0.000 0.216 555 L C 2.235 179.110 176.870 0.008 0.000 1.074 555 L CA 1.753 56.606 54.840 0.021 0.000 0.763 555 L CB -0.961 41.094 42.059 -0.007 0.000 0.890 555 L HN 0.201 nan 8.230 nan 0.000 0.434 556 I N -0.384 120.184 120.570 -0.003 0.000 2.233 556 I HA -0.256 3.901 4.170 -0.020 0.000 0.243 556 I C 2.747 178.868 176.117 0.007 0.000 1.093 556 I CA 1.300 62.589 61.300 -0.018 0.000 1.380 556 I CB -0.459 37.515 38.000 -0.043 0.000 1.067 556 I HN 0.369 nan 8.210 nan 0.000 0.413 557 S N 1.685 117.408 115.700 0.038 0.000 2.368 557 S HA -0.142 4.316 4.470 -0.020 0.000 0.225 557 S C 2.063 176.700 174.600 0.061 0.000 1.030 557 S CA 0.937 59.170 58.200 0.057 0.000 0.999 557 S CB -0.960 62.298 63.200 0.097 0.000 0.844 557 S HN 0.372 nan 8.310 nan 0.000 0.459 558 L N 0.639 121.911 121.223 0.082 0.000 2.012 558 L HA -0.125 4.202 4.340 -0.020 0.000 0.210 558 L C 2.919 179.793 176.870 0.006 0.000 1.073 558 L CA 1.372 56.243 54.840 0.052 0.000 0.748 558 L CB -0.885 41.196 42.059 0.036 0.000 0.891 558 L HN 0.469 nan 8.230 nan 0.000 0.431 559 C N -0.578 118.718 119.300 -0.006 0.000 2.435 559 C HA -0.045 4.402 4.460 -0.020 0.000 0.279 559 C C 3.083 178.059 174.990 -0.023 0.000 1.321 559 C CA 0.473 59.475 59.018 -0.026 0.000 1.752 559 C CB -0.914 26.804 27.740 -0.037 0.000 1.959 559 C HN 0.599 nan 8.230 nan 0.000 0.500 560 A N 0.553 123.366 122.820 -0.010 0.000 1.877 560 A HA 0.063 4.371 4.320 -0.020 0.000 0.216 560 A C 2.324 179.905 177.584 -0.004 0.000 1.186 560 A CA 2.023 54.056 52.037 -0.006 0.000 0.620 560 A CB -0.786 18.216 19.000 0.002 0.000 0.822 560 A HN 0.557 nan 8.150 nan 0.000 0.443 561 A N -1.726 121.095 122.820 0.002 0.000 2.016 561 A HA 0.337 4.645 4.320 -0.020 0.000 0.217 561 A C 1.220 178.793 177.584 -0.019 0.000 1.162 561 A CA 1.353 53.392 52.037 0.003 0.000 0.662 561 A CB -0.230 18.782 19.000 0.019 0.000 0.812 561 A HN 0.898 nan 8.150 nan 0.000 0.450 562 S N -1.170 114.509 115.700 -0.035 0.000 2.689 562 S HA 0.455 4.913 4.470 -0.020 0.000 0.274 562 S C -2.535 172.022 174.600 -0.073 0.000 1.176 562 S CA -0.877 57.283 58.200 -0.067 0.000 1.014 562 S CB 1.731 64.879 63.200 -0.085 0.000 1.071 562 S HN 0.015 nan 8.310 nan 0.000 0.478 563 P HA -0.062 nan 4.420 nan 0.000 0.221 563 P C 1.662 178.914 177.300 -0.080 0.000 1.150 563 P CA 0.578 63.635 63.100 -0.070 0.000 0.800 563 P CB 0.004 31.665 31.700 -0.064 0.000 0.787 564 M N -0.542 118.996 119.600 -0.103 0.000 2.082 564 M HA -0.166 4.302 4.480 -0.020 0.000 0.258 564 M C 2.008 178.245 176.300 -0.105 0.000 1.069 564 M CA 2.010 57.241 55.300 -0.116 0.000 1.102 564 M CB -0.437 32.054 32.600 -0.181 0.000 1.336 564 M HN -0.173 nan 8.290 nan 0.000 0.404 565 I N -0.396 120.109 120.570 -0.109 0.000 2.333 565 I HA -0.169 3.989 4.170 -0.020 0.000 0.246 565 I C 2.602 178.678 176.117 -0.067 0.000 1.106 565 I CA 0.777 62.023 61.300 -0.090 0.000 1.411 565 I CB -0.634 37.313 38.000 -0.088 0.000 1.082 565 I HN 0.341 nan 8.210 nan 0.000 0.420 566 A N 0.670 123.451 122.820 -0.066 0.000 1.873 566 A HA -0.260 4.048 4.320 -0.020 0.000 0.218 566 A C 2.496 180.041 177.584 -0.065 0.000 1.193 566 A CA 2.605 54.605 52.037 -0.062 0.000 0.629 566 A CB -0.941 18.023 19.000 -0.060 0.000 0.826 566 A HN 0.396 nan 8.150 nan 0.000 0.447 567 S N -0.868 114.793 115.700 -0.064 0.000 2.368 567 S HA -0.227 4.231 4.470 -0.020 0.000 0.225 567 S C 2.143 176.701 174.600 -0.070 0.000 1.030 567 S CA 1.488 59.648 58.200 -0.068 0.000 0.999 567 S CB -0.353 62.811 63.200 -0.060 0.000 0.844 567 S HN 0.719 nan 8.310 nan 0.000 0.459 568 Q N 0.749 120.527 119.800 -0.036 0.000 2.084 568 Q HA -0.080 4.248 4.340 -0.020 0.000 0.202 568 Q C 2.048 178.065 176.000 0.029 0.000 0.978 568 Q CA 1.205 57.028 55.803 0.034 0.000 0.844 568 Q CB -0.221 28.546 28.738 0.048 0.000 0.898 568 Q HN 0.491 nan 8.270 nan 0.000 0.426 569 L N 0.090 121.299 121.223 -0.023 0.000 2.141 569 L HA -0.112 4.215 4.340 -0.020 0.000 0.209 569 L C 2.539 179.354 176.870 -0.092 0.000 1.094 569 L CA 0.817 55.628 54.840 -0.047 0.000 0.763 569 L CB -0.521 41.500 42.059 -0.063 0.000 0.908 569 L HN 0.282 nan 8.230 nan 0.000 0.437 570 A N 0.191 122.949 122.820 -0.102 0.000 1.897 570 A HA -0.208 4.100 4.320 -0.020 0.000 0.215 570 A C 2.440 179.920 177.584 -0.174 0.000 1.181 570 A CA 1.528 53.493 52.037 -0.120 0.000 0.620 570 A CB -0.450 18.491 19.000 -0.099 0.000 0.821 570 A HN 0.334 nan 8.150 nan 0.000 0.443 571 R N -2.022 118.329 120.500 -0.248 0.000 2.090 571 R HA -0.076 4.252 4.340 -0.020 0.000 0.228 571 R C -0.337 175.594 176.300 -0.614 0.000 1.110 571 R CA 1.102 56.914 56.100 -0.481 0.000 0.973 571 R CB -0.105 29.796 30.300 -0.665 0.000 0.869 571 R HN 0.487 nan 8.270 nan 0.000 0.440 572 Y N 0.238 120.486 120.300 -0.086 0.000 2.638 572 Y HA 0.354 4.891 4.550 -0.021 0.000 0.367 572 Y C -1.899 173.909 175.900 -0.153 0.000 1.001 572 Y CA -2.846 55.198 58.100 -0.093 0.000 1.133 572 Y CB 1.508 39.925 38.460 -0.072 0.000 1.199 572 Y HN 0.131 nan 8.280 nan 0.000 0.642 573 P HA -0.187 nan 4.420 nan 0.000 0.225 573 P C 1.799 178.802 177.300 -0.495 0.000 1.148 573 P CA 0.807 63.670 63.100 -0.396 0.000 0.779 573 P CB 0.539 31.863 31.700 -0.627 0.000 0.780 574 L N -0.437 120.659 121.223 -0.211 0.000 2.261 574 L HA -0.134 4.194 4.340 -0.020 0.000 0.216 574 L C 2.210 179.087 176.870 0.012 0.000 1.114 574 L CA 1.472 56.325 54.840 0.023 0.000 0.777 574 L CB -1.131 41.011 42.059 0.137 0.000 0.910 574 L HN -0.146 nan 8.230 nan 0.000 0.440 575 L N -1.246 119.959 121.223 -0.030 0.000 2.265 575 L HA -0.225 4.103 4.340 -0.020 0.000 0.215 575 L C 2.323 179.160 176.870 -0.054 0.000 1.117 575 L CA 0.797 55.611 54.840 -0.044 0.000 0.782 575 L CB -0.566 41.469 42.059 -0.040 0.000 0.914 575 L HN 0.373 nan 8.230 nan 0.000 0.441 576 L N -0.300 120.887 121.223 -0.061 0.000 2.191 576 L HA -0.238 4.089 4.340 -0.020 0.000 0.212 576 L C 2.063 178.924 176.870 -0.015 0.000 1.103 576 L CA 1.123 55.940 54.840 -0.038 0.000 0.769 576 L CB -0.551 41.492 42.059 -0.027 0.000 0.908 576 L HN 0.281 nan 8.230 nan 0.000 0.438 577 D N 0.123 120.529 120.400 0.010 0.000 2.263 577 D HA -0.193 4.434 4.640 -0.020 0.000 0.208 577 D C 1.938 178.198 176.300 -0.066 0.000 0.971 577 D CA 0.854 54.844 54.000 -0.016 0.000 0.867 577 D CB 0.198 41.018 40.800 0.034 0.000 0.929 577 D HN 0.203 nan 8.370 nan 0.000 0.492 578 E N -0.472 119.682 120.200 -0.076 0.000 2.481 578 E HA 0.010 4.348 4.350 -0.020 0.000 0.195 578 E C 1.778 178.290 176.600 -0.146 0.000 1.047 578 E CA 0.150 56.480 56.400 -0.117 0.000 0.867 578 E CB 0.252 29.870 29.700 -0.137 0.000 0.858 578 E HN 0.485 nan 8.360 nan 0.000 0.513 579 L N -0.009 121.149 121.223 -0.109 0.000 2.529 579 L HA -0.007 4.321 4.340 -0.020 0.000 0.223 579 L C 1.788 178.643 176.870 -0.024 0.000 1.113 579 L CA -0.148 54.647 54.840 -0.076 0.000 0.861 579 L CB -0.093 41.959 42.059 -0.011 0.000 1.012 579 L HN 0.073 nan 8.230 nan 0.000 0.461 580 L N -0.174 120.988 121.223 -0.102 0.000 2.079 580 L HA -0.115 4.213 4.340 -0.020 0.000 0.210 580 L C 0.795 177.628 176.870 -0.061 0.000 1.081 580 L CA 1.572 56.322 54.840 -0.151 0.000 0.752 580 L CB -0.637 41.256 42.059 -0.277 0.000 0.896 580 L HN 0.187 nan 8.230 nan 0.000 0.433 581 D N -1.031 119.322 120.400 -0.077 0.000 2.420 581 D HA 0.195 4.823 4.640 -0.020 0.000 0.255 581 D C -1.804 174.435 176.300 -0.102 0.000 1.185 581 D CA -2.163 51.802 54.000 -0.058 0.000 0.904 581 D CB 1.646 42.408 40.800 -0.063 0.000 1.102 581 D HN -0.112 nan 8.370 nan 0.000 0.534 582 P HA -0.163 nan 4.420 nan 0.000 0.217 582 P C 0.964 178.272 177.300 0.014 0.000 1.148 582 P CA 0.782 63.850 63.100 -0.054 0.000 0.828 582 P CB 0.513 32.293 31.700 0.132 0.000 0.783 583 N N -0.597 118.106 118.700 0.005 0.000 2.223 583 N HA -0.096 4.632 4.740 -0.020 0.000 0.185 583 N C 1.786 177.280 175.510 -0.026 0.000 1.016 583 N CA 2.107 55.161 53.050 0.006 0.000 0.863 583 N CB -0.758 37.731 38.487 0.004 0.000 0.983 583 N HN 0.372 nan 8.380 nan 0.000 0.429 584 T N -2.214 112.297 114.554 -0.071 0.000 3.034 584 T HA 0.093 4.430 4.350 -0.020 0.000 0.248 584 T C 1.850 176.451 174.700 -0.165 0.000 1.040 584 T CA -0.118 61.923 62.100 -0.098 0.000 1.107 584 T CB -0.403 68.408 68.868 -0.095 0.000 0.932 584 T HN -0.029 nan 8.240 nan 0.000 0.474 585 L N 0.418 121.481 121.223 -0.266 0.000 2.129 585 L HA 0.036 4.364 4.340 -0.020 0.000 0.212 585 L C 1.201 177.765 176.870 -0.510 0.000 1.087 585 L CA 1.700 56.248 54.840 -0.486 0.000 0.757 585 L CB -0.842 40.738 42.059 -0.799 0.000 0.896 585 L HN 0.399 nan 8.230 nan 0.000 0.434 586 Y N -2.143 118.077 120.300 -0.133 0.000 2.527 586 Y HA 0.375 4.912 4.550 -0.021 0.000 0.247 586 Y C 0.323 176.169 175.900 -0.090 0.000 1.138 586 Y CA -0.843 57.189 58.100 -0.112 0.000 1.228 586 Y CB 0.301 38.691 38.460 -0.117 0.000 1.252 586 Y HN 0.084 nan 8.280 nan 0.000 0.531 587 Q N 1.589 121.403 119.800 0.024 0.000 2.413 587 Q HA 0.370 4.698 4.340 -0.020 0.000 0.258 587 Q C -2.725 173.242 176.000 -0.055 0.000 1.037 587 Q CA -2.164 53.633 55.803 -0.011 0.000 0.764 587 Q CB 1.459 30.191 28.738 -0.010 0.000 1.217 587 Q HN 0.095 nan 8.270 nan 0.000 0.490 588 P HA 0.042 nan 4.420 nan 0.000 0.270 588 P C -0.244 177.014 177.300 -0.070 0.000 1.223 588 P CA -0.067 62.977 63.100 -0.093 0.000 0.785 588 P CB 0.496 32.052 31.700 -0.240 0.000 0.923 589 T N 1.322 115.791 114.554 -0.142 0.000 2.908 589 T HA 0.237 4.575 4.350 -0.020 0.000 0.301 589 T C 0.599 175.170 174.700 -0.215 0.000 1.019 589 T CA 0.080 61.985 62.100 -0.325 0.000 1.152 589 T CB -0.081 68.299 68.868 -0.813 0.000 0.966 589 T HN 0.504 nan 8.240 nan 0.000 0.540 590 A N 3.506 126.227 122.820 -0.165 0.000 2.561 590 A HA 0.208 4.515 4.320 -0.020 0.000 0.234 590 A C 1.870 179.329 177.584 -0.208 0.000 1.055 590 A CA 0.158 52.129 52.037 -0.111 0.000 0.756 590 A CB -0.127 18.804 19.000 -0.116 0.000 0.986 590 A HN 1.028 nan 8.150 nan 0.000 0.505 591 T N -0.329 114.073 114.554 -0.253 0.000 2.849 591 T HA -0.180 4.158 4.350 -0.020 0.000 0.270 591 T C 0.882 175.175 174.700 -0.678 0.000 1.066 591 T CA 1.569 63.332 62.100 -0.562 0.000 1.130 591 T CB -0.363 67.870 68.868 -1.058 0.000 0.864 591 T HN 0.796 nan 8.240 nan 0.000 0.481 592 D N 1.134 121.246 120.400 -0.480 0.000 2.340 592 D HA 0.287 4.915 4.640 -0.020 0.000 0.220 592 D C 1.539 177.756 176.300 -0.138 0.000 1.039 592 D CA 0.468 54.262 54.000 -0.345 0.000 0.866 592 D CB -0.129 40.519 40.800 -0.253 0.000 0.913 592 D HN 0.601 nan 8.370 nan 0.000 0.523 593 A N -0.662 122.081 122.820 -0.129 0.000 2.324 593 A HA 0.162 4.470 4.320 -0.020 0.000 0.220 593 A C 1.312 178.885 177.584 -0.019 0.000 1.209 593 A CA -0.348 51.638 52.037 -0.085 0.000 0.918 593 A CB -0.406 18.516 19.000 -0.131 0.000 0.959 593 A HN 0.051 nan 8.150 nan 0.000 0.507 594 Y N 0.696 121.044 120.300 0.081 0.000 2.102 594 Y HA -0.279 4.259 4.550 -0.020 0.000 0.280 594 Y C 2.595 178.590 175.900 0.158 0.000 1.178 594 Y CA 2.316 60.533 58.100 0.195 0.000 1.146 594 Y CB -0.266 38.343 38.460 0.247 0.000 0.968 594 Y HN 0.247 nan 8.280 nan 0.000 0.504 595 R N -0.045 120.607 120.500 0.253 0.000 2.075 595 R HA -0.148 4.179 4.340 -0.020 0.000 0.232 595 R C 1.781 178.124 176.300 0.071 0.000 1.126 595 R CA 1.645 57.832 56.100 0.146 0.000 0.963 595 R CB -0.238 30.147 30.300 0.141 0.000 0.858 595 R HN 0.327 nan 8.270 nan 0.000 0.435 596 D N 0.248 120.688 120.400 0.067 0.000 2.144 596 D HA -0.142 4.485 4.640 -0.020 0.000 0.199 596 D C 1.723 178.048 176.300 0.041 0.000 0.984 596 D CA 1.044 55.068 54.000 0.039 0.000 0.834 596 D CB -0.050 40.766 40.800 0.026 0.000 0.955 596 D HN 0.224 nan 8.370 nan 0.000 0.465 597 E N 0.391 120.637 120.200 0.077 0.000 2.072 597 E HA -0.101 4.237 4.350 -0.020 0.000 0.190 597 E C 2.236 178.861 176.600 0.041 0.000 0.982 597 E CA 0.100 56.588 56.400 0.147 0.000 0.803 597 E CB -0.337 29.527 29.700 0.274 0.000 0.755 597 E HN 0.189 nan 8.360 nan 0.000 0.453 598 L N 1.813 122.878 121.223 -0.264 0.000 2.012 598 L HA -0.170 4.158 4.340 -0.020 0.000 0.210 598 L C 2.193 178.906 176.870 -0.260 0.000 1.073 598 L CA 1.788 56.172 54.840 -0.759 0.000 0.748 598 L CB -0.308 41.347 42.059 -0.673 0.000 0.891 598 L HN -0.041 nan 8.230 nan 0.000 0.431 599 R N -1.086 119.351 120.500 -0.105 0.000 2.148 599 R HA -0.136 4.192 4.340 -0.020 0.000 0.223 599 R C 2.171 178.465 176.300 -0.010 0.000 1.088 599 R CA 1.201 57.277 56.100 -0.041 0.000 0.985 599 R CB -0.278 30.016 30.300 -0.009 0.000 0.880 599 R HN 0.600 nan 8.270 nan 0.000 0.451 600 Q N 0.032 119.841 119.800 0.016 0.000 2.083 600 Q HA -0.181 4.147 4.340 -0.020 0.000 0.198 600 Q C 1.730 177.774 176.000 0.074 0.000 0.969 600 Q CA 1.175 57.005 55.803 0.045 0.000 0.838 600 Q CB -0.111 28.668 28.738 0.068 0.000 0.900 600 Q HN 0.267 nan 8.270 nan 0.000 0.436 601 Y N 0.818 121.105 120.300 -0.021 0.000 2.193 601 Y HA -0.199 4.338 4.550 -0.021 0.000 0.285 601 Y C 1.600 177.489 175.900 -0.019 0.000 1.166 601 Y CA 1.516 59.624 58.100 0.013 0.000 1.181 601 Y CB 0.060 38.562 38.460 0.070 0.000 0.976 601 Y HN 0.142 nan 8.280 nan 0.000 0.520 602 L N -1.060 120.159 121.223 -0.006 0.000 2.558 602 L HA -0.091 4.237 4.340 -0.020 0.000 0.225 602 L C 1.960 178.790 176.870 -0.066 0.000 1.128 602 L CA -0.119 54.689 54.840 -0.053 0.000 0.868 602 L CB -0.290 41.754 42.059 -0.026 0.000 1.006 602 L HN 0.217 nan 8.230 nan 0.000 0.454 603 L N 1.063 122.253 121.223 -0.055 0.000 2.081 603 L HA -0.237 4.091 4.340 -0.020 0.000 0.212 603 L C 2.867 179.705 176.870 -0.053 0.000 1.080 603 L CA 2.260 57.075 54.840 -0.041 0.000 0.754 603 L CB -0.700 41.343 42.059 -0.027 0.000 0.893 603 L HN 0.275 nan 8.230 nan 0.000 0.433 604 R N -1.259 119.190 120.500 -0.085 0.000 2.334 604 R HA 0.421 4.748 4.340 -0.020 0.000 0.220 604 R C 0.315 176.569 176.300 -0.077 0.000 0.917 604 R CA 0.506 56.559 56.100 -0.078 0.000 1.073 604 R CB -1.337 28.908 30.300 -0.092 0.000 1.056 604 R HN 0.135 nan 8.270 nan 0.000 0.506 605 V N 2.739 122.607 119.914 -0.077 0.000 2.383 605 V HA 0.299 4.407 4.120 -0.020 0.000 0.275 605 V C -2.324 173.748 176.094 -0.036 0.000 1.036 605 V CA -2.279 59.985 62.300 -0.060 0.000 0.889 605 V CB 1.713 33.499 31.823 -0.062 0.000 0.985 605 V HN 0.266 nan 8.190 nan 0.000 0.459 606 P HA 0.075 nan 4.420 nan 0.000 0.265 606 P C 0.675 177.966 177.300 -0.016 0.000 1.193 606 P CA 0.025 63.113 63.100 -0.020 0.000 0.765 606 P CB 0.517 32.207 31.700 -0.017 0.000 0.823 607 E N 1.663 121.856 120.200 -0.012 0.000 2.208 607 E HA -0.155 4.182 4.350 -0.020 0.000 0.193 607 E C 0.622 177.217 176.600 -0.010 0.000 0.988 607 E CA 0.997 57.392 56.400 -0.008 0.000 0.828 607 E CB -0.279 29.419 29.700 -0.003 0.000 0.763 607 E HN 0.529 nan 8.360 nan 0.000 0.478 608 D N 0.650 121.042 120.400 -0.013 0.000 2.367 608 D HA -0.061 4.567 4.640 -0.020 0.000 0.207 608 D C 0.223 176.513 176.300 -0.016 0.000 1.034 608 D CA 0.150 54.139 54.000 -0.017 0.000 0.861 608 D CB -0.058 40.730 40.800 -0.020 0.000 0.943 608 D HN -0.040 nan 8.370 nan 0.000 0.515 609 D N 1.788 122.181 120.400 -0.012 0.000 2.468 609 D HA -0.008 4.620 4.640 -0.020 0.000 0.218 609 D C 0.994 177.293 176.300 -0.003 0.000 1.155 609 D CA -0.122 53.874 54.000 -0.007 0.000 0.924 609 D CB 1.037 41.833 40.800 -0.006 0.000 1.029 609 D HN 0.132 nan 8.370 nan 0.000 0.515 610 E N 2.740 122.940 120.200 -0.000 0.000 2.130 610 E HA -0.227 4.111 4.350 -0.020 0.000 0.196 610 E C 1.251 177.858 176.600 0.012 0.000 0.998 610 E CA 0.965 57.369 56.400 0.007 0.000 0.806 610 E CB 0.328 30.041 29.700 0.021 0.000 0.738 610 E HN 0.448 nan 8.360 nan 0.000 0.459 611 E N 0.436 120.645 120.200 0.015 0.000 2.051 611 E HA -0.215 4.123 4.350 -0.020 0.000 0.192 611 E C 2.118 178.729 176.600 0.018 0.000 0.991 611 E CA 1.343 57.755 56.400 0.019 0.000 0.799 611 E CB -0.036 29.676 29.700 0.021 0.000 0.748 611 E HN 0.466 nan 8.360 nan 0.000 0.449 612 Q N -0.226 119.582 119.800 0.013 0.000 2.079 612 Q HA -0.152 4.176 4.340 -0.020 0.000 0.200 612 Q C 2.289 178.298 176.000 0.015 0.000 0.974 612 Q CA 0.940 56.750 55.803 0.013 0.000 0.840 612 Q CB -0.055 28.683 28.738 0.001 0.000 0.898 612 Q HN 0.253 nan 8.270 nan 0.000 0.430 613 Q N 0.448 120.252 119.800 0.007 0.000 2.045 613 Q HA -0.187 4.141 4.340 -0.020 0.000 0.206 613 Q C 2.201 178.211 176.000 0.017 0.000 0.991 613 Q CA 1.088 56.895 55.803 0.007 0.000 0.851 613 Q CB -0.428 28.306 28.738 -0.006 0.000 0.911 613 Q HN 0.285 nan 8.270 nan 0.000 0.418 614 L N 1.183 122.410 121.223 0.007 0.000 2.079 614 L HA -0.201 4.126 4.340 -0.020 0.000 0.210 614 L C 2.353 179.242 176.870 0.031 0.000 1.081 614 L CA 1.895 56.737 54.840 0.003 0.000 0.752 614 L CB -0.955 41.098 42.059 -0.010 0.000 0.896 614 L HN 0.272 nan 8.230 nan 0.000 0.433 615 E N -0.753 119.474 120.200 0.046 0.000 2.107 615 E HA -0.088 4.250 4.350 -0.020 0.000 0.191 615 E C 2.187 178.856 176.600 0.115 0.000 0.982 615 E CA 1.125 57.567 56.400 0.069 0.000 0.809 615 E CB -0.099 29.640 29.700 0.065 0.000 0.756 615 E HN 0.359 nan 8.360 nan 0.000 0.459 616 A N 0.691 123.591 122.820 0.133 0.000 1.902 616 A HA -0.135 4.173 4.320 -0.020 0.000 0.217 616 A C 2.256 180.020 177.584 0.300 0.000 1.181 616 A CA 1.428 53.625 52.037 0.267 0.000 0.623 616 A CB -0.757 18.338 19.000 0.157 0.000 0.818 616 A HN 0.344 nan 8.150 nan 0.000 0.443 617 L N -1.348 119.970 121.223 0.159 0.000 2.046 617 L HA -0.204 4.123 4.340 -0.020 0.000 0.208 617 L C 2.884 179.826 176.870 0.120 0.000 1.077 617 L CA 1.650 56.568 54.840 0.130 0.000 0.747 617 L CB -0.509 41.584 42.059 0.056 0.000 0.896 617 L HN 0.335 nan 8.230 nan 0.000 0.432 618 R N -0.235 120.302 120.500 0.063 0.000 2.083 618 R HA -0.194 4.133 4.340 -0.020 0.000 0.237 618 R C 2.383 178.637 176.300 -0.078 0.000 1.137 618 R CA 1.557 57.646 56.100 -0.020 0.000 0.951 618 R CB -0.341 29.949 30.300 -0.018 0.000 0.851 618 R HN 0.428 nan 8.270 nan 0.000 0.434 619 Q N -0.542 119.263 119.800 0.009 0.000 2.061 619 Q HA -0.222 4.106 4.340 -0.020 0.000 0.204 619 Q C 1.941 177.859 176.000 -0.137 0.000 0.984 619 Q CA 1.866 57.657 55.803 -0.019 0.000 0.846 619 Q CB -0.277 28.572 28.738 0.186 0.000 0.902 619 Q HN 0.306 nan 8.270 nan 0.000 0.421 620 F N 1.648 121.416 119.950 -0.303 0.000 2.134 620 F HA -0.197 4.318 4.527 -0.021 0.000 0.299 620 F C 2.312 177.981 175.800 -0.219 0.000 1.097 620 F CA 1.500 59.225 58.000 -0.458 0.000 1.264 620 F CB 0.010 38.769 39.000 -0.402 0.000 1.001 620 F HN -0.125 nan 8.300 nan 0.000 0.479 621 K N -0.214 120.189 120.400 0.005 0.000 2.026 621 K HA -0.212 4.096 4.320 -0.020 0.000 0.208 621 K C 2.096 178.576 176.600 -0.201 0.000 1.048 621 K CA 1.519 57.774 56.287 -0.053 0.000 0.929 621 K CB -0.194 32.273 32.500 -0.055 0.000 0.713 621 K HN 0.253 nan 8.250 nan 0.000 0.439 622 Q N 0.178 119.813 119.800 -0.275 0.000 2.084 622 Q HA -0.118 4.210 4.340 -0.020 0.000 0.202 622 Q C 2.102 177.949 176.000 -0.255 0.000 0.978 622 Q CA 1.693 57.303 55.803 -0.321 0.000 0.844 622 Q CB -0.497 27.913 28.738 -0.546 0.000 0.898 622 Q HN 0.443 nan 8.270 nan 0.000 0.426 623 A N 0.919 123.557 122.820 -0.304 0.000 1.972 623 A HA -0.190 4.118 4.320 -0.020 0.000 0.219 623 A C 2.034 179.436 177.584 -0.303 0.000 1.169 623 A CA 1.277 53.131 52.037 -0.304 0.000 0.635 623 A CB -0.214 18.559 19.000 -0.378 0.000 0.810 623 A HN 0.253 nan 8.150 nan 0.000 0.446 624 Q N -0.422 119.164 119.800 -0.357 0.000 2.212 624 Q HA 0.089 4.417 4.340 -0.020 0.000 0.199 624 Q C 2.120 178.085 176.000 -0.058 0.000 0.950 624 Q CA 0.697 56.371 55.803 -0.215 0.000 0.863 624 Q CB -0.368 28.256 28.738 -0.190 0.000 0.944 624 Q HN 0.709 nan 8.270 nan 0.000 0.465 625 L N 0.422 121.608 121.223 -0.060 0.000 2.083 625 L HA -0.189 4.139 4.340 -0.020 0.000 0.209 625 L C 2.334 179.216 176.870 0.019 0.000 1.083 625 L CA 0.674 55.536 54.840 0.037 0.000 0.752 625 L CB -0.486 41.586 42.059 0.022 0.000 0.899 625 L HN 0.197 nan 8.230 nan 0.000 0.433 626 L N -0.076 121.107 121.223 -0.067 0.000 2.056 626 L HA -0.163 4.165 4.340 -0.020 0.000 0.207 626 L C 2.690 179.505 176.870 -0.093 0.000 1.078 626 L CA 1.650 56.436 54.840 -0.090 0.000 0.749 626 L CB -0.406 41.581 42.059 -0.120 0.000 0.901 626 L HN 0.052 nan 8.230 nan 0.000 0.433 627 R N -0.498 119.941 120.500 -0.102 0.000 2.075 627 R HA -0.056 4.272 4.340 -0.020 0.000 0.232 627 R C 2.283 178.557 176.300 -0.044 0.000 1.126 627 R CA 1.786 57.821 56.100 -0.109 0.000 0.963 627 R CB -0.526 29.698 30.300 -0.127 0.000 0.858 627 R HN 0.381 nan 8.270 nan 0.000 0.435 628 I N 0.826 121.406 120.570 0.018 0.000 2.127 628 I HA -0.311 3.846 4.170 -0.020 0.000 0.241 628 I C 2.639 178.826 176.117 0.118 0.000 1.075 628 I CA 1.570 62.905 61.300 0.057 0.000 1.334 628 I CB -0.422 37.651 38.000 0.121 0.000 1.040 628 I HN 0.196 nan 8.210 nan 0.000 0.405 629 A N 0.519 123.430 122.820 0.151 0.000 1.877 629 A HA -0.174 4.133 4.320 -0.020 0.000 0.216 629 A C 2.519 180.108 177.584 0.008 0.000 1.186 629 A CA 1.980 54.035 52.037 0.030 0.000 0.620 629 A CB -0.994 17.878 19.000 -0.212 0.000 0.822 629 A HN 0.442 nan 8.150 nan 0.000 0.443 630 A N -0.276 122.539 122.820 -0.008 0.000 1.930 630 A HA 0.198 4.506 4.320 -0.020 0.000 0.217 630 A C 2.490 180.174 177.584 0.168 0.000 1.175 630 A CA 1.980 54.042 52.037 0.041 0.000 0.627 630 A CB -0.957 17.968 19.000 -0.124 0.000 0.815 630 A HN 1.030 nan 8.150 nan 0.000 0.443 631 A N 0.045 122.929 122.820 0.106 0.000 1.877 631 A HA -0.217 4.091 4.320 -0.020 0.000 0.216 631 A C 1.942 179.567 177.584 0.069 0.000 1.186 631 A CA 2.079 54.179 52.037 0.105 0.000 0.620 631 A CB -0.658 18.349 19.000 0.012 0.000 0.822 631 A HN 0.507 nan 8.150 nan 0.000 0.443 632 D N -0.098 120.341 120.400 0.064 0.000 2.106 632 D HA -0.166 4.462 4.640 -0.020 0.000 0.191 632 D C 1.757 178.099 176.300 0.071 0.000 0.997 632 D CA 1.353 55.398 54.000 0.074 0.000 0.834 632 D CB -0.222 40.652 40.800 0.124 0.000 0.956 632 D HN 0.216 nan 8.370 nan 0.000 0.448 633 I N 0.967 121.579 120.570 0.070 0.000 2.226 633 I HA -0.134 4.024 4.170 -0.020 0.000 0.245 633 I C 2.290 178.434 176.117 0.045 0.000 1.100 633 I CA 1.098 62.434 61.300 0.060 0.000 1.374 633 I CB -1.297 36.734 38.000 0.052 0.000 1.057 633 I HN 0.020 nan 8.210 nan 0.000 0.413 634 A N -0.651 122.194 122.820 0.042 0.000 2.251 634 A HA 0.356 4.663 4.320 -0.020 0.000 0.209 634 A C 1.773 179.318 177.584 -0.066 0.000 1.187 634 A CA 0.805 52.804 52.037 -0.063 0.000 0.823 634 A CB -0.617 18.217 19.000 -0.276 0.000 0.846 634 A HN 0.596 nan 8.150 nan 0.000 0.486 635 G N -0.944 107.849 108.800 -0.012 0.000 2.136 635 G HA2 -0.288 3.659 3.960 -0.020 0.000 0.242 635 G HA3 -0.288 3.659 3.960 -0.020 0.000 0.242 635 G C 0.801 175.692 174.900 -0.016 0.000 0.989 635 G CA 1.275 46.371 45.100 -0.007 0.000 0.682 635 G HN 1.214 nan 8.290 nan 0.000 0.522 636 T N -2.685 111.859 114.554 -0.018 0.000 3.060 636 T HA 0.546 4.884 4.350 -0.020 0.000 0.249 636 T C 0.651 175.349 174.700 -0.003 0.000 1.079 636 T CA 0.806 62.898 62.100 -0.014 0.000 1.013 636 T CB 0.679 69.537 68.868 -0.015 0.000 0.975 636 T HN 0.993 nan 8.240 nan 0.000 0.518 637 L N 2.487 123.710 121.223 0.001 0.000 2.343 637 L HA 0.605 4.933 4.340 -0.020 0.000 0.278 637 L C -2.937 173.944 176.870 0.018 0.000 0.996 637 L CA -2.388 52.446 54.840 -0.009 0.000 0.831 637 L CB 1.591 43.611 42.059 -0.064 0.000 1.232 637 L HN -0.205 nan 8.230 nan 0.000 0.413 638 P HA -0.021 nan 4.420 nan 0.000 0.266 638 P C 0.865 178.200 177.300 0.058 0.000 1.195 638 P CA -0.005 63.123 63.100 0.045 0.000 0.768 638 P CB 0.907 32.637 31.700 0.049 0.000 0.838 639 V N 3.689 123.646 119.914 0.073 0.000 2.568 639 V HA -0.233 3.875 4.120 -0.020 0.000 0.253 639 V C 1.817 177.976 176.094 0.109 0.000 1.072 639 V CA 1.735 64.095 62.300 0.100 0.000 1.084 639 V CB -0.859 31.049 31.823 0.140 0.000 0.676 639 V HN 0.495 nan 8.190 nan 0.000 0.469 640 M N -0.749 118.904 119.600 0.088 0.000 2.435 640 M HA -0.133 4.335 4.480 -0.020 0.000 0.262 640 M C 1.658 178.018 176.300 0.100 0.000 1.065 640 M CA 1.623 56.973 55.300 0.084 0.000 1.076 640 M CB -0.547 32.088 32.600 0.060 0.000 1.403 640 M HN 0.374 nan 8.290 nan 0.000 0.454 641 K N -0.953 119.513 120.400 0.111 0.000 2.374 641 K HA 0.148 4.456 4.320 -0.020 0.000 0.202 641 K C 1.703 178.428 176.600 0.210 0.000 1.040 641 K CA 0.009 56.403 56.287 0.178 0.000 1.085 641 K CB 0.758 33.388 32.500 0.217 0.000 0.873 641 K HN 0.115 nan 8.250 nan 0.000 0.539 642 V N 0.948 120.892 119.914 0.050 0.000 2.307 642 V HA -0.225 3.883 4.120 -0.020 0.000 0.245 642 V C 2.112 178.137 176.094 -0.116 0.000 1.045 642 V CA 1.837 64.061 62.300 -0.127 0.000 1.024 642 V CB -0.285 31.254 31.823 -0.474 0.000 0.651 642 V HN 0.246 nan 8.190 nan 0.000 0.449 643 S N -0.376 115.315 115.700 -0.015 0.000 2.368 643 S HA -0.225 4.233 4.470 -0.020 0.000 0.225 643 S C 1.787 176.489 174.600 0.170 0.000 1.030 643 S CA 1.546 59.807 58.200 0.103 0.000 0.999 643 S CB -0.452 62.891 63.200 0.240 0.000 0.844 643 S HN 0.611 nan 8.310 nan 0.000 0.459 644 D N 0.528 121.078 120.400 0.251 0.000 2.116 644 D HA -0.127 4.500 4.640 -0.020 0.000 0.193 644 D C 1.828 178.345 176.300 0.361 0.000 0.998 644 D CA 1.194 55.414 54.000 0.366 0.000 0.836 644 D CB -0.454 40.526 40.800 0.299 0.000 0.951 644 D HN 0.508 nan 8.370 nan 0.000 0.449 645 H N 0.257 119.489 119.070 0.270 0.000 2.321 645 H HA -0.009 4.535 4.556 -0.020 0.000 0.300 645 H C 2.500 177.829 175.328 0.002 0.000 1.087 645 H CA 0.677 56.859 56.048 0.223 0.000 1.319 645 H CB -0.165 29.710 29.762 0.189 0.000 1.379 645 H HN 0.151 nan 8.280 nan 0.000 0.501 646 L N 0.202 121.452 121.223 0.044 0.000 2.127 646 L HA -0.167 4.161 4.340 -0.020 0.000 0.211 646 L C 2.486 179.298 176.870 -0.098 0.000 1.089 646 L CA 1.300 56.105 54.840 -0.060 0.000 0.757 646 L CB -0.495 41.487 42.059 -0.128 0.000 0.899 646 L HN 0.244 nan 8.230 nan 0.000 0.434 647 T N -1.774 112.703 114.554 -0.129 0.000 2.851 647 T HA -0.139 4.198 4.350 -0.020 0.000 0.262 647 T C 1.460 175.924 174.700 -0.393 0.000 1.043 647 T CA 1.032 62.919 62.100 -0.355 0.000 1.140 647 T CB -0.296 68.212 68.868 -0.600 0.000 0.872 647 T HN 0.358 nan 8.240 nan 0.000 0.446 648 W N 1.207 122.381 121.300 -0.211 0.000 2.342 648 W HA -0.019 4.630 4.660 -0.019 0.000 0.297 648 W C 2.153 178.438 176.519 -0.389 0.000 1.213 648 W CA 0.017 57.236 57.345 -0.211 0.000 1.251 648 W CB -0.641 28.757 29.460 -0.104 0.000 1.136 648 W HN 0.152 nan 8.180 nan 0.000 0.526 649 L N 1.274 122.238 121.223 -0.431 0.000 1.994 649 L HA -0.123 4.205 4.340 -0.020 0.000 0.208 649 L C 2.415 179.282 176.870 -0.005 0.000 1.071 649 L CA 2.609 57.241 54.840 -0.346 0.000 0.745 649 L CB -1.406 40.481 42.059 -0.286 0.000 0.892 649 L HN -0.035 nan 8.230 nan 0.000 0.431 650 A N -0.663 122.129 122.820 -0.048 0.000 1.917 650 A HA -0.267 4.041 4.320 -0.020 0.000 0.219 650 A C 2.153 179.675 177.584 -0.102 0.000 1.182 650 A CA 2.097 54.059 52.037 -0.126 0.000 0.633 650 A CB -0.761 18.052 19.000 -0.311 0.000 0.819 650 A HN 0.680 nan 8.150 nan 0.000 0.448 651 E N -0.473 119.665 120.200 -0.103 0.000 2.204 651 E HA -0.021 4.316 4.350 -0.020 0.000 0.194 651 E C 2.235 178.897 176.600 0.104 0.000 0.989 651 E CA 0.699 57.080 56.400 -0.031 0.000 0.824 651 E CB -0.237 29.419 29.700 -0.074 0.000 0.756 651 E HN 0.647 nan 8.360 nan 0.000 0.477 652 A N 1.285 124.194 122.820 0.148 0.000 1.897 652 A HA -0.140 4.168 4.320 -0.020 0.000 0.215 652 A C 2.157 179.837 177.584 0.160 0.000 1.181 652 A CA 0.969 53.123 52.037 0.196 0.000 0.620 652 A CB -0.204 18.966 19.000 0.283 0.000 0.821 652 A HN 0.087 nan 8.150 nan 0.000 0.443 653 M N -0.262 119.453 119.600 0.192 0.000 2.117 653 M HA -0.088 4.380 4.480 -0.020 0.000 0.262 653 M C 2.186 178.588 176.300 0.171 0.000 1.065 653 M CA 1.374 56.804 55.300 0.218 0.000 1.114 653 M CB -1.232 31.618 32.600 0.418 0.000 1.361 653 M HN 0.420 nan 8.290 nan 0.000 0.408 654 I N 0.042 120.734 120.570 0.203 0.000 2.163 654 I HA -0.334 3.824 4.170 -0.020 0.000 0.243 654 I C 2.431 178.613 176.117 0.108 0.000 1.085 654 I CA 1.447 62.894 61.300 0.245 0.000 1.347 654 I CB -0.632 37.479 38.000 0.185 0.000 1.044 654 I HN 0.374 nan 8.210 nan 0.000 0.408 655 D N 1.241 121.724 120.400 0.140 0.000 2.116 655 D HA -0.230 4.398 4.640 -0.020 0.000 0.193 655 D C 2.158 178.477 176.300 0.032 0.000 0.998 655 D CA 1.867 55.953 54.000 0.145 0.000 0.836 655 D CB 0.222 41.159 40.800 0.230 0.000 0.951 655 D HN 0.365 nan 8.370 nan 0.000 0.449 656 A N 0.288 123.123 122.820 0.024 0.000 1.969 656 A HA -0.081 4.226 4.320 -0.020 0.000 0.218 656 A C 2.586 180.128 177.584 -0.069 0.000 1.169 656 A CA 1.119 53.145 52.037 -0.019 0.000 0.635 656 A CB -0.542 18.440 19.000 -0.030 0.000 0.810 656 A HN 0.238 nan 8.150 nan 0.000 0.445 657 V N -0.513 119.327 119.914 -0.123 0.000 2.379 657 V HA -0.185 3.922 4.120 -0.020 0.000 0.245 657 V C 2.578 178.578 176.094 -0.156 0.000 1.044 657 V CA 1.764 63.930 62.300 -0.225 0.000 1.036 657 V CB -0.572 30.920 31.823 -0.551 0.000 0.664 657 V HN 0.364 nan 8.190 nan 0.000 0.453 658 V N -0.028 119.793 119.914 -0.155 0.000 2.287 658 V HA -0.356 3.751 4.120 -0.020 0.000 0.248 658 V C 2.513 178.554 176.094 -0.089 0.000 1.053 658 V CA 2.455 64.635 62.300 -0.199 0.000 1.027 658 V CB -0.764 30.709 31.823 -0.582 0.000 0.646 658 V HN 0.590 nan 8.190 nan 0.000 0.447 659 Q N 0.129 119.887 119.800 -0.069 0.000 2.077 659 Q HA -0.274 4.054 4.340 -0.020 0.000 0.206 659 Q C 2.275 178.322 176.000 0.077 0.000 0.989 659 Q CA 2.354 58.174 55.803 0.028 0.000 0.853 659 Q CB -0.468 28.282 28.738 0.020 0.000 0.907 659 Q HN 0.703 nan 8.270 nan 0.000 0.418 660 Q N -1.293 118.513 119.800 0.010 0.000 2.083 660 Q HA -0.097 4.231 4.340 -0.020 0.000 0.198 660 Q C 1.927 177.925 176.000 -0.004 0.000 0.969 660 Q CA 1.250 57.054 55.803 0.002 0.000 0.838 660 Q CB -0.242 28.474 28.738 -0.035 0.000 0.900 660 Q HN 0.502 nan 8.270 nan 0.000 0.436 661 A N 1.153 123.954 122.820 -0.031 0.000 1.883 661 A HA -0.224 4.083 4.320 -0.020 0.000 0.217 661 A C 1.819 179.375 177.584 -0.046 0.000 1.186 661 A CA 1.324 53.321 52.037 -0.067 0.000 0.624 661 A CB -1.466 17.464 19.000 -0.117 0.000 0.822 661 A HN 0.795 nan 8.150 nan 0.000 0.444 662 W N 0.807 122.017 121.300 -0.149 0.000 2.318 662 W HA -0.214 4.433 4.660 -0.021 0.000 0.313 662 W C 1.900 178.404 176.519 -0.025 0.000 1.221 662 W CA 2.388 59.683 57.345 -0.084 0.000 1.266 662 W CB -0.467 28.977 29.460 -0.028 0.000 1.150 662 W HN 0.214 nan 8.180 nan 0.000 0.496 663 V N 1.384 121.382 119.914 0.139 0.000 2.287 663 V HA -0.358 3.750 4.120 -0.020 0.000 0.248 663 V C 2.520 178.570 176.094 -0.074 0.000 1.053 663 V CA 2.442 64.768 62.300 0.044 0.000 1.027 663 V CB -0.983 30.884 31.823 0.073 0.000 0.646 663 V HN 0.260 nan 8.190 nan 0.000 0.447 664 Q N -1.209 118.540 119.800 -0.085 0.000 2.050 664 Q HA -0.209 4.119 4.340 -0.020 0.000 0.202 664 Q C 2.339 178.223 176.000 -0.193 0.000 0.980 664 Q CA 1.502 57.228 55.803 -0.128 0.000 0.840 664 Q CB -0.249 28.420 28.738 -0.115 0.000 0.898 664 Q HN 0.461 nan 8.270 nan 0.000 0.424 665 M N -0.024 119.432 119.600 -0.240 0.000 2.175 665 M HA -0.106 4.361 4.480 -0.020 0.000 0.264 665 M C 2.279 178.515 176.300 -0.107 0.000 1.063 665 M CA 1.036 56.185 55.300 -0.251 0.000 1.119 665 M CB -0.671 31.581 32.600 -0.580 0.000 1.377 665 M HN 0.084 nan 8.290 nan 0.000 0.415 666 V N 0.501 120.289 119.914 -0.210 0.000 2.427 666 V HA -0.188 3.920 4.120 -0.020 0.000 0.248 666 V C 2.658 178.675 176.094 -0.129 0.000 1.051 666 V CA 1.682 63.873 62.300 -0.181 0.000 1.048 666 V CB -1.262 30.372 31.823 -0.315 0.000 0.666 666 V HN 0.474 nan 8.190 nan 0.000 0.456 667 A N 0.314 123.048 122.820 -0.143 0.000 2.015 667 A HA -0.189 4.118 4.320 -0.020 0.000 0.219 667 A C 2.314 179.789 177.584 -0.183 0.000 1.163 667 A CA 1.881 53.839 52.037 -0.132 0.000 0.646 667 A CB -0.371 18.561 19.000 -0.113 0.000 0.806 667 A HN 0.536 nan 8.150 nan 0.000 0.448 668 R N -2.131 118.194 120.500 -0.292 0.000 2.090 668 R HA 0.024 4.352 4.340 -0.020 0.000 0.219 668 R C 1.260 177.263 176.300 -0.495 0.000 1.100 668 R CA 1.567 57.368 56.100 -0.497 0.000 0.991 668 R CB -0.351 29.455 30.300 -0.823 0.000 0.893 668 R HN 0.467 nan 8.270 nan 0.000 0.443 669 Y N -0.623 119.646 120.300 -0.052 0.000 2.462 669 Y HA 0.459 4.997 4.550 -0.019 0.000 0.253 669 Y C 1.150 177.006 175.900 -0.074 0.000 1.095 669 Y CA 0.154 58.237 58.100 -0.029 0.000 1.283 669 Y CB 0.567 39.068 38.460 0.069 0.000 1.138 669 Y HN 0.365 nan 8.280 nan 0.000 0.522 670 G N 1.558 110.366 108.800 0.013 0.000 2.632 670 G HA2 -0.223 3.724 3.960 -0.020 0.000 0.224 670 G HA3 -0.223 3.724 3.960 -0.020 0.000 0.224 670 G C -0.552 174.213 174.900 -0.226 0.000 1.341 670 G CA -0.289 44.761 45.100 -0.083 0.000 0.880 670 G HN 0.353 nan 8.290 nan 0.000 0.566 671 K N -0.340 119.865 120.400 -0.325 0.000 2.267 671 K HA 0.723 5.030 4.320 -0.020 0.000 0.246 671 K C -3.054 173.223 176.600 -0.538 0.000 0.954 671 K CA -2.027 53.891 56.287 -0.615 0.000 0.824 671 K CB 2.619 34.916 32.500 -0.338 0.000 1.167 671 K HN 0.305 nan 8.250 nan 0.000 0.431 672 P HA -0.031 nan 4.420 nan 0.000 0.266 672 P C -0.341 176.930 177.300 -0.048 0.000 1.195 672 P CA -0.144 62.763 63.100 -0.322 0.000 0.768 672 P CB 0.398 31.982 31.700 -0.193 0.000 0.838 673 N N 2.132 120.861 118.700 0.047 0.000 2.398 673 N HA -0.121 4.607 4.740 -0.020 0.000 0.188 673 N C 1.012 176.588 175.510 0.110 0.000 1.122 673 N CA 0.746 53.820 53.050 0.041 0.000 0.866 673 N CB -0.864 37.630 38.487 0.012 0.000 0.970 673 N HN 0.510 nan 8.380 nan 0.000 0.462 674 H N -0.405 118.668 119.070 0.006 0.000 2.539 674 H HA 0.227 4.772 4.556 -0.020 0.000 0.267 674 H C 1.307 176.671 175.328 0.060 0.000 0.982 674 H CA -0.234 55.837 56.048 0.039 0.000 1.146 674 H CB -0.299 29.498 29.762 0.060 0.000 1.382 674 H HN 0.160 nan 8.280 nan 0.000 0.577 675 L N 0.430 121.454 121.223 -0.331 0.000 2.341 675 L HA -0.069 4.259 4.340 -0.020 0.000 0.214 675 L C 1.692 178.512 176.870 -0.083 0.000 1.115 675 L CA 0.231 54.914 54.840 -0.262 0.000 0.820 675 L CB -0.284 41.680 42.059 -0.158 0.000 0.944 675 L HN 0.137 nan 8.230 nan 0.000 0.452 676 N N 0.850 119.526 118.700 -0.040 0.000 2.091 676 N HA -0.202 4.526 4.740 -0.020 0.000 0.193 676 N C 0.984 176.492 175.510 -0.003 0.000 1.021 676 N CA 1.366 54.411 53.050 -0.009 0.000 0.862 676 N CB -0.185 38.305 38.487 0.004 0.000 1.018 676 N HN 0.417 nan 8.380 nan 0.000 0.429 677 E N 0.429 120.629 120.200 -0.001 0.000 2.499 677 E HA 0.157 4.495 4.350 -0.020 0.000 0.207 677 E C -0.035 176.569 176.600 0.007 0.000 1.034 677 E CA -0.121 56.285 56.400 0.010 0.000 1.098 677 E CB 0.681 30.396 29.700 0.026 0.000 1.148 677 E HN 0.192 nan 8.360 nan 0.000 0.447 678 R N -0.133 120.357 120.500 -0.015 0.000 2.832 678 R HA 0.374 4.702 4.340 -0.020 0.000 0.271 678 R C 1.136 177.432 176.300 -0.007 0.000 0.996 678 R CA -0.061 56.032 56.100 -0.012 0.000 0.977 678 R CB 0.779 31.052 30.300 -0.045 0.000 1.168 678 R HN 0.204 nan 8.270 nan 0.000 0.482 679 E N 0.849 121.049 120.200 -0.000 0.000 2.230 679 E HA 0.131 4.468 4.350 -0.020 0.000 0.192 679 E C 0.922 177.513 176.600 -0.016 0.000 0.987 679 E CA 1.058 57.454 56.400 -0.006 0.000 0.841 679 E CB 0.304 30.002 29.700 -0.004 0.000 0.783 679 E HN 0.706 nan 8.360 nan 0.000 0.481 680 G N -1.565 107.227 108.800 -0.013 0.000 3.105 680 G HA2 0.452 4.400 3.960 -0.020 0.000 0.277 680 G HA3 0.452 4.400 3.960 -0.020 0.000 0.277 680 G C 0.272 175.166 174.900 -0.010 0.000 1.375 680 G CA -0.133 44.949 45.100 -0.030 0.000 0.962 680 G HN 0.095 nan 8.290 nan 0.000 0.541 681 R N -0.596 119.881 120.500 -0.039 0.000 2.236 681 R HA 0.168 4.495 4.340 -0.020 0.000 0.208 681 R C 1.627 178.115 176.300 0.314 0.000 1.036 681 R CA 0.840 56.924 56.100 -0.027 0.000 1.001 681 R CB 0.141 30.167 30.300 -0.456 0.000 0.896 681 R HN 1.085 nan 8.270 nan 0.000 0.464 682 G N 0.974 109.917 108.800 0.238 0.000 2.160 682 G HA2 -0.301 3.646 3.960 -0.020 0.000 0.244 682 G HA3 -0.301 3.646 3.960 -0.020 0.000 0.244 682 G C -0.294 174.717 174.900 0.185 0.000 1.022 682 G CA 0.118 45.363 45.100 0.241 0.000 0.741 682 G HN 0.336 nan 8.290 nan 0.000 0.508 683 F N 0.523 120.545 119.950 0.119 0.000 2.565 683 F HA 0.767 5.282 4.527 -0.020 0.000 0.313 683 F C -0.252 175.662 175.800 0.190 0.000 1.091 683 F CA -0.374 57.706 58.000 0.133 0.000 0.915 683 F CB 1.980 41.214 39.000 0.390 0.000 1.208 683 F HN 0.609 nan 8.300 nan 0.000 0.453 684 A N 4.192 126.790 122.820 -0.369 0.000 2.449 684 A HA 0.757 5.064 4.320 -0.020 0.000 0.302 684 A C -1.981 175.340 177.584 -0.439 0.000 1.048 684 A CA -0.699 51.184 52.037 -0.257 0.000 0.708 684 A CB 1.546 20.388 19.000 -0.264 0.000 1.274 684 A HN 0.581 nan 8.150 nan 0.000 0.410 685 V N 2.314 122.144 119.914 -0.139 0.000 2.398 685 V HA 0.443 4.550 4.120 -0.020 0.000 0.286 685 V C -0.195 175.719 176.094 -0.301 0.000 1.026 685 V CA -0.518 61.683 62.300 -0.165 0.000 0.868 685 V CB 1.391 33.262 31.823 0.081 0.000 0.982 685 V HN 0.633 nan 8.190 nan 0.000 0.443 686 V N 3.802 123.450 119.914 -0.443 0.000 2.394 686 V HA 0.627 4.734 4.120 -0.020 0.000 0.282 686 V C 0.818 176.719 176.094 -0.322 0.000 1.031 686 V CA -0.357 61.643 62.300 -0.499 0.000 0.881 686 V CB 1.655 33.074 31.823 -0.672 0.000 0.982 686 V HN 0.965 nan 8.190 nan 0.000 0.451 687 G N 3.361 111.980 108.800 -0.301 0.000 2.320 687 G HA2 0.505 4.453 3.960 -0.020 0.000 0.300 687 G HA3 0.505 4.453 3.960 -0.020 0.000 0.300 687 G C -1.091 173.716 174.900 -0.155 0.000 1.126 687 G CA -0.017 44.951 45.100 -0.220 0.000 0.896 687 G HN 0.476 nan 8.290 nan 0.000 0.436 688 Y N 1.177 121.372 120.300 -0.174 0.000 2.612 688 Y HA 0.620 5.158 4.550 -0.021 0.000 0.334 688 Y C 1.499 177.357 175.900 -0.070 0.000 1.227 688 Y CA 0.573 58.624 58.100 -0.082 0.000 1.356 688 Y CB 1.091 39.526 38.460 -0.042 0.000 1.534 688 Y HN 1.028 nan 8.280 nan 0.000 0.576 689 G N 0.904 109.816 108.800 0.186 0.000 2.614 689 G HA2 -0.370 3.578 3.960 -0.020 0.000 0.303 689 G HA3 -0.370 3.578 3.960 -0.020 0.000 0.303 689 G C 0.994 175.923 174.900 0.048 0.000 1.270 689 G CA 0.792 45.960 45.100 0.114 0.000 0.988 689 G HN 0.653 nan 8.290 nan 0.000 0.551 690 K N -0.390 120.029 120.400 0.032 0.000 2.147 690 K HA -0.042 4.266 4.320 -0.020 0.000 0.205 690 K C 2.627 179.190 176.600 -0.062 0.000 1.049 690 K CA 1.535 57.832 56.287 0.017 0.000 0.936 690 K CB -0.216 32.298 32.500 0.024 0.000 0.722 690 K HN 0.326 nan 8.250 nan 0.000 0.446 691 L N 0.682 121.829 121.223 -0.126 0.000 2.027 691 L HA -0.012 4.316 4.340 -0.020 0.000 0.206 691 L C 2.143 178.811 176.870 -0.336 0.000 1.074 691 L CA 1.945 56.628 54.840 -0.261 0.000 0.745 691 L CB -0.960 40.936 42.059 -0.272 0.000 0.898 691 L HN 0.132 nan 8.230 nan 0.000 0.433 692 G N -1.171 107.503 108.800 -0.210 0.000 2.448 692 G HA2 -0.148 3.800 3.960 -0.020 0.000 0.219 692 G HA3 -0.148 3.800 3.960 -0.020 0.000 0.219 692 G C 1.291 176.122 174.900 -0.115 0.000 1.127 692 G CA 0.490 45.473 45.100 -0.196 0.000 0.766 692 G HN 0.599 nan 8.290 nan 0.000 0.552 693 G N -1.818 106.957 108.800 -0.042 0.000 3.337 693 G HA2 0.308 4.256 3.960 -0.020 0.000 0.246 693 G HA3 0.308 4.256 3.960 -0.020 0.000 0.246 693 G C 0.073 175.110 174.900 0.229 0.000 1.131 693 G CA -0.636 44.527 45.100 0.105 0.000 0.773 693 G HN 0.320 nan 8.290 nan 0.000 0.544 694 W N -0.167 121.109 121.300 -0.040 0.000 5.361 694 W HA -0.174 4.474 4.660 -0.021 0.000 0.385 694 W C 0.769 177.294 176.519 0.010 0.000 1.458 694 W CA 0.741 58.049 57.345 -0.061 0.000 0.922 694 W CB -1.321 28.090 29.460 -0.082 0.000 2.606 694 W HN 0.395 nan 8.180 nan 0.000 1.450 695 E N -0.258 120.031 120.200 0.150 0.000 2.876 695 E HA 0.089 4.426 4.350 -0.020 0.000 0.208 695 E C 0.359 177.015 176.600 0.093 0.000 0.981 695 E CA -0.543 55.952 56.400 0.158 0.000 1.174 695 E CB 0.226 30.042 29.700 0.194 0.000 1.047 695 E HN -0.027 nan 8.360 nan 0.000 0.477 696 L N 0.855 122.110 121.223 0.053 0.000 2.461 696 L HA 0.289 4.617 4.340 -0.020 0.000 0.272 696 L C 0.824 177.746 176.870 0.087 0.000 1.197 696 L CA 0.779 55.635 54.840 0.026 0.000 0.836 696 L CB 1.066 43.099 42.059 -0.043 0.000 1.105 696 L HN 0.100 nan 8.230 nan 0.000 0.477 697 G N 1.696 110.543 108.800 0.078 0.000 2.820 697 G HA2 0.296 4.243 3.960 -0.020 0.000 0.291 697 G HA3 0.296 4.243 3.960 -0.020 0.000 0.291 697 G C 0.153 175.062 174.900 0.014 0.000 1.323 697 G CA -0.258 44.907 45.100 0.108 0.000 1.055 697 G HN 0.594 nan 8.290 nan 0.000 0.520 698 Y N 0.145 120.520 120.300 0.125 0.000 2.274 698 Y HA -0.075 4.463 4.550 -0.020 0.000 0.290 698 Y C 2.660 178.588 175.900 0.048 0.000 1.145 698 Y CA 1.886 60.023 58.100 0.062 0.000 1.203 698 Y CB 0.219 38.703 38.460 0.039 0.000 0.984 698 Y HN 0.394 nan 8.280 nan 0.000 0.533 699 S N -1.982 113.832 115.700 0.190 0.000 2.711 699 S HA 0.281 4.739 4.470 -0.020 0.000 0.247 699 S C -0.015 174.646 174.600 0.102 0.000 1.079 699 S CA -0.695 57.577 58.200 0.120 0.000 1.050 699 S CB -0.124 63.135 63.200 0.097 0.000 0.885 699 S HN 0.005 nan 8.310 nan 0.000 0.498 700 S N 3.170 118.935 115.700 0.108 0.000 2.562 700 S HA 0.207 4.664 4.470 -0.020 0.000 0.281 700 S C 0.155 174.821 174.600 0.110 0.000 1.333 700 S CA -0.275 57.978 58.200 0.088 0.000 1.052 700 S CB 0.223 63.461 63.200 0.063 0.000 0.884 700 S HN 0.492 nan 8.310 nan 0.000 0.506 701 D N 1.250 121.689 120.400 0.065 0.000 2.354 701 D HA 0.189 4.817 4.640 -0.020 0.000 0.238 701 D C -0.068 176.214 176.300 -0.029 0.000 1.250 701 D CA 0.193 54.217 54.000 0.039 0.000 0.911 701 D CB 0.287 41.090 40.800 0.005 0.000 1.163 701 D HN 0.297 nan 8.370 nan 0.000 0.456 702 L N 1.131 122.276 121.223 -0.131 0.000 2.305 702 L HA 0.292 4.620 4.340 -0.020 0.000 0.284 702 L C -0.087 176.655 176.870 -0.214 0.000 1.013 702 L CA -0.749 53.936 54.840 -0.258 0.000 0.819 702 L CB 1.248 43.002 42.059 -0.508 0.000 1.227 702 L HN 0.064 nan 8.230 nan 0.000 0.417 703 D N 5.951 126.256 120.400 -0.159 0.000 2.347 703 D HA 0.468 5.096 4.640 -0.020 0.000 0.235 703 D C -0.419 175.779 176.300 -0.170 0.000 1.149 703 D CA 0.013 53.937 54.000 -0.126 0.000 0.850 703 D CB 1.887 42.668 40.800 -0.032 0.000 1.061 703 D HN 0.281 nan 8.370 nan 0.000 0.487 704 L N 2.768 123.831 121.223 -0.267 0.000 2.370 704 L HA 0.636 4.963 4.340 -0.020 0.000 0.266 704 L C 0.164 176.698 176.870 -0.561 0.000 1.002 704 L CA -1.120 53.470 54.840 -0.418 0.000 0.818 704 L CB 2.184 43.928 42.059 -0.525 0.000 1.325 704 L HN 0.304 nan 8.230 nan 0.000 0.418 705 I N -1.831 118.348 120.570 -0.652 0.000 3.174 705 I HA 0.695 4.853 4.170 -0.020 0.000 0.313 705 I C -1.708 173.853 176.117 -0.927 0.000 1.155 705 I CA -0.689 60.167 61.300 -0.739 0.000 0.977 705 I CB 2.697 40.494 38.000 -0.338 0.000 1.248 705 I HN 0.279 nan 8.210 nan 0.000 0.453 706 F N 2.901 122.723 119.950 -0.214 0.000 2.547 706 F HA 0.742 5.256 4.527 -0.021 0.000 0.316 706 F C -0.697 174.871 175.800 -0.385 0.000 1.121 706 F CA -0.568 57.217 58.000 -0.358 0.000 0.911 706 F CB 1.874 40.777 39.000 -0.161 0.000 1.179 706 F HN 0.254 nan 8.300 nan 0.000 0.443 707 L N 2.883 123.878 121.223 -0.381 0.000 2.354 707 L HA 0.713 5.040 4.340 -0.020 0.000 0.264 707 L C -0.874 175.804 176.870 -0.321 0.000 1.008 707 L CA -1.025 53.588 54.840 -0.378 0.000 0.819 707 L CB 2.449 44.242 42.059 -0.445 0.000 1.339 707 L HN 0.769 nan 8.230 nan 0.000 0.420 708 H N -1.702 117.260 119.070 -0.180 0.000 2.907 708 H HA 0.562 5.106 4.556 -0.020 0.000 0.361 708 H C -1.457 173.788 175.328 -0.139 0.000 1.194 708 H CA -1.326 54.577 56.048 -0.242 0.000 1.152 708 H CB 1.226 30.729 29.762 -0.432 0.000 1.867 708 H HN 0.506 nan 8.280 nan 0.000 0.561 709 D N 0.268 120.765 120.400 0.162 0.000 2.892 709 D HA 0.126 4.754 4.640 -0.020 0.000 0.291 709 D C -0.644 175.814 176.300 0.264 0.000 1.341 709 D CA -0.367 53.760 54.000 0.211 0.000 0.844 709 D CB -0.620 40.289 40.800 0.181 0.000 1.093 709 D HN 0.514 nan 8.370 nan 0.000 0.480 710 C N 1.707 121.197 119.300 0.316 0.000 2.394 710 C HA 0.440 4.888 4.460 -0.020 0.000 0.362 710 C C -2.080 172.886 174.990 -0.040 0.000 1.268 710 C CA -1.490 57.525 59.018 -0.004 0.000 1.828 710 C CB -0.343 27.350 27.740 -0.078 0.000 2.442 710 C HN 0.248 nan 8.230 nan 0.000 0.549 711 P HA -0.019 nan 4.420 nan 0.000 0.266 711 P C 0.983 178.247 177.300 -0.060 0.000 1.186 711 P CA 0.251 63.309 63.100 -0.070 0.000 0.767 711 P CB 0.334 31.975 31.700 -0.099 0.000 0.820 712 M N 1.458 121.051 119.600 -0.011 0.000 2.144 712 M HA -0.155 4.313 4.480 -0.020 0.000 0.260 712 M C 0.615 176.899 176.300 -0.026 0.000 1.067 712 M CA 1.953 57.251 55.300 -0.004 0.000 1.095 712 M CB -1.165 31.442 32.600 0.012 0.000 1.365 712 M HN 0.325 nan 8.290 nan 0.000 0.406 713 D N -0.327 120.052 120.400 -0.034 0.000 2.369 713 D HA 0.244 4.872 4.640 -0.020 0.000 0.211 713 D C 0.356 176.632 176.300 -0.040 0.000 1.077 713 D CA 0.084 54.067 54.000 -0.028 0.000 0.842 713 D CB 0.008 40.800 40.800 -0.012 0.000 0.947 713 D HN 0.157 nan 8.370 nan 0.000 0.509 714 A N 0.785 123.559 122.820 -0.077 0.000 2.445 714 A HA 0.440 4.748 4.320 -0.020 0.000 0.242 714 A C 0.313 177.861 177.584 -0.061 0.000 1.075 714 A CA 0.149 52.141 52.037 -0.075 0.000 0.777 714 A CB 0.404 19.298 19.000 -0.177 0.000 1.013 714 A HN -0.005 nan 8.150 nan 0.000 0.493 715 M N 1.240 120.813 119.600 -0.046 0.000 2.619 715 M HA 0.370 4.838 4.480 -0.020 0.000 0.297 715 M C 0.355 176.601 176.300 -0.090 0.000 1.229 715 M CA -0.367 54.896 55.300 -0.062 0.000 0.860 715 M CB 1.817 34.393 32.600 -0.040 0.000 1.741 715 M HN 0.892 nan 8.290 nan 0.000 0.462 716 T N -1.961 112.523 114.554 -0.117 0.000 2.899 716 T HA 0.413 4.751 4.350 -0.020 0.000 0.284 716 T C 0.307 174.957 174.700 -0.084 0.000 1.004 716 T CA -0.485 61.522 62.100 -0.156 0.000 1.043 716 T CB 0.779 69.552 68.868 -0.159 0.000 1.013 716 T HN 0.679 nan 8.240 nan 0.000 0.518 717 D N -0.871 119.474 120.400 -0.091 0.000 2.440 717 D HA 0.261 4.889 4.640 -0.020 0.000 0.216 717 D C 0.966 177.242 176.300 -0.040 0.000 1.150 717 D CA -0.511 53.456 54.000 -0.055 0.000 0.832 717 D CB -0.241 40.527 40.800 -0.055 0.000 0.992 717 D HN 0.703 nan 8.370 nan 0.000 0.502 718 G N 0.608 109.390 108.800 -0.030 0.000 2.773 718 G HA2 0.203 4.151 3.960 -0.020 0.000 0.186 718 G HA3 0.203 4.151 3.960 -0.020 0.000 0.186 718 G C 0.684 175.576 174.900 -0.013 0.000 1.411 718 G CA -0.364 44.722 45.100 -0.025 0.000 1.054 718 G HN 0.092 nan 8.290 nan 0.000 0.579 719 E N -0.476 119.710 120.200 -0.023 0.000 2.086 719 E HA 0.012 4.350 4.350 -0.020 0.000 0.190 719 E C 1.263 177.863 176.600 0.000 0.000 0.975 719 E CA 0.118 56.504 56.400 -0.023 0.000 0.813 719 E CB 0.282 29.955 29.700 -0.045 0.000 0.768 719 E HN 0.234 nan 8.360 nan 0.000 0.457 720 R N 2.357 122.871 120.500 0.023 0.000 2.287 720 R HA 0.067 4.395 4.340 -0.020 0.000 0.327 720 R C -0.577 175.819 176.300 0.159 0.000 1.109 720 R CA -0.053 56.106 56.100 0.098 0.000 1.013 720 R CB 0.405 30.788 30.300 0.139 0.000 1.126 720 R HN 0.014 nan 8.270 nan 0.000 0.503 721 E N 6.412 126.656 120.200 0.073 0.000 2.166 721 E HA 0.106 4.443 4.350 -0.020 0.000 0.279 721 E C -0.458 176.151 176.600 0.015 0.000 1.095 721 E CA -0.264 56.157 56.400 0.036 0.000 0.888 721 E CB 0.438 30.143 29.700 0.008 0.000 1.041 721 E HN 0.607 nan 8.360 nan 0.000 0.414 722 I N 0.668 121.224 120.570 -0.023 0.000 3.002 722 I HA 0.470 4.627 4.170 -0.020 0.000 0.310 722 I C -0.363 175.695 176.117 -0.098 0.000 1.087 722 I CA -1.403 59.844 61.300 -0.088 0.000 1.017 722 I CB 1.731 39.597 38.000 -0.224 0.000 1.226 722 I HN 0.300 nan 8.210 nan 0.000 0.443 723 D N 2.717 123.062 120.400 -0.091 0.000 2.493 723 D HA 0.186 4.813 4.640 -0.020 0.000 0.240 723 D C 1.421 177.671 176.300 -0.084 0.000 1.142 723 D CA 0.920 54.876 54.000 -0.074 0.000 0.872 723 D CB 1.662 42.430 40.800 -0.054 0.000 1.173 723 D HN 0.778 nan 8.370 nan 0.000 0.467 724 G N 4.086 112.838 108.800 -0.081 0.000 2.476 724 G HA2 -0.329 3.618 3.960 -0.020 0.000 0.218 724 G HA3 -0.329 3.618 3.960 -0.020 0.000 0.218 724 G C 1.452 176.351 174.900 -0.001 0.000 1.164 724 G CA 0.495 45.548 45.100 -0.077 0.000 0.768 724 G HN 0.585 nan 8.290 nan 0.000 0.560 725 R N -0.099 120.381 120.500 -0.033 0.000 2.105 725 R HA -0.082 4.245 4.340 -0.020 0.000 0.239 725 R C 2.590 178.909 176.300 0.031 0.000 1.135 725 R CA 1.279 57.349 56.100 -0.049 0.000 0.967 725 R CB -0.538 29.746 30.300 -0.027 0.000 0.861 725 R HN 0.466 nan 8.270 nan 0.000 0.442 726 Q N 0.117 119.905 119.800 -0.022 0.000 2.119 726 Q HA -0.164 4.164 4.340 -0.020 0.000 0.201 726 Q C 1.926 177.834 176.000 -0.154 0.000 0.972 726 Q CA 1.232 56.989 55.803 -0.076 0.000 0.847 726 Q CB -0.100 28.565 28.738 -0.122 0.000 0.903 726 Q HN 0.246 nan 8.270 nan 0.000 0.433 727 F N 0.143 119.883 119.950 -0.349 0.000 2.091 727 F HA -0.304 4.210 4.527 -0.021 0.000 0.299 727 F C 1.528 177.120 175.800 -0.347 0.000 1.103 727 F CA 1.715 59.429 58.000 -0.477 0.000 1.228 727 F CB -0.377 38.286 39.000 -0.561 0.000 0.984 727 F HN 0.110 nan 8.300 nan 0.000 0.477 728 Y N -0.510 119.809 120.300 0.032 0.000 2.373 728 Y HA -0.108 4.430 4.550 -0.020 0.000 0.293 728 Y C 2.067 177.956 175.900 -0.018 0.000 1.129 728 Y CA 0.996 59.113 58.100 0.029 0.000 1.226 728 Y CB -0.804 37.837 38.460 0.302 0.000 1.000 728 Y HN 0.196 nan 8.280 nan 0.000 0.549 729 L N 0.683 121.972 121.223 0.110 0.000 1.994 729 L HA -0.182 4.145 4.340 -0.020 0.000 0.208 729 L C 2.289 179.104 176.870 -0.092 0.000 1.071 729 L CA 1.760 56.626 54.840 0.043 0.000 0.745 729 L CB -0.531 41.550 42.059 0.036 0.000 0.892 729 L HN 0.044 nan 8.230 nan 0.000 0.431 730 R N -0.608 119.772 120.500 -0.200 0.000 2.096 730 R HA -0.166 4.162 4.340 -0.020 0.000 0.235 730 R C 2.212 178.338 176.300 -0.291 0.000 1.127 730 R CA 1.547 57.514 56.100 -0.221 0.000 0.968 730 R CB -1.163 28.998 30.300 -0.232 0.000 0.861 730 R HN 0.356 nan 8.270 nan 0.000 0.440 731 L N 1.313 122.257 121.223 -0.465 0.000 1.990 731 L HA -0.178 4.149 4.340 -0.020 0.000 0.213 731 L C 2.412 179.048 176.870 -0.391 0.000 1.072 731 L CA 2.201 56.730 54.840 -0.518 0.000 0.755 731 L CB -0.669 40.949 42.059 -0.735 0.000 0.889 731 L HN 0.172 nan 8.230 nan 0.000 0.432 732 A N -1.508 121.118 122.820 -0.325 0.000 1.969 732 A HA -0.229 4.079 4.320 -0.020 0.000 0.218 732 A C 2.170 179.570 177.584 -0.307 0.000 1.169 732 A CA 1.657 53.407 52.037 -0.478 0.000 0.635 732 A CB -0.534 18.188 19.000 -0.462 0.000 0.810 732 A HN 0.680 nan 8.150 nan 0.000 0.445 733 Q N -1.071 118.636 119.800 -0.154 0.000 2.050 733 Q HA -0.215 4.113 4.340 -0.020 0.000 0.202 733 Q C 2.357 178.344 176.000 -0.023 0.000 0.980 733 Q CA 1.723 57.494 55.803 -0.053 0.000 0.840 733 Q CB -0.188 28.524 28.738 -0.044 0.000 0.898 733 Q HN 0.589 nan 8.270 nan 0.000 0.424 734 R N 1.101 121.553 120.500 -0.080 0.000 2.081 734 R HA -0.110 4.217 4.340 -0.020 0.000 0.235 734 R C 1.832 178.143 176.300 0.019 0.000 1.131 734 R CA 1.322 57.402 56.100 -0.034 0.000 0.960 734 R CB -0.564 29.670 30.300 -0.110 0.000 0.856 734 R HN 0.229 nan 8.270 nan 0.000 0.436 735 I N 0.141 120.679 120.570 -0.054 0.000 2.118 735 I HA -0.357 3.801 4.170 -0.020 0.000 0.241 735 I C 2.119 178.350 176.117 0.189 0.000 1.070 735 I CA 1.528 62.838 61.300 0.016 0.000 1.327 735 I CB -0.260 37.751 38.000 0.017 0.000 1.034 735 I HN 0.217 nan 8.210 nan 0.000 0.405 736 M N -0.498 119.228 119.600 0.210 0.000 2.106 736 M HA -0.287 4.181 4.480 -0.020 0.000 0.259 736 M C 2.484 178.931 176.300 0.246 0.000 1.068 736 M CA 2.013 57.490 55.300 0.296 0.000 1.100 736 M CB -1.750 30.984 32.600 0.224 0.000 1.351 736 M HN 0.384 nan 8.290 nan 0.000 0.404 737 H N 0.516 119.640 119.070 0.090 0.000 2.353 737 H HA -0.062 4.482 4.556 -0.021 0.000 0.300 737 H C 1.947 177.308 175.328 0.054 0.000 1.090 737 H CA 1.776 57.861 56.048 0.060 0.000 1.327 737 H CB -0.127 29.645 29.762 0.016 0.000 1.383 737 H HN 0.311 nan 8.280 nan 0.000 0.508 738 L N -0.971 120.226 121.223 -0.042 0.000 2.056 738 L HA -0.127 4.200 4.340 -0.020 0.000 0.207 738 L C 2.103 178.884 176.870 -0.148 0.000 1.078 738 L CA 0.950 55.696 54.840 -0.157 0.000 0.749 738 L CB -0.493 41.478 42.059 -0.147 0.000 0.901 738 L HN 0.257 nan 8.230 nan 0.000 0.433 739 F N 0.532 120.495 119.950 0.022 0.000 2.161 739 F HA -0.249 4.266 4.527 -0.020 0.000 0.300 739 F C 2.915 178.736 175.800 0.035 0.000 1.089 739 F CA 1.750 59.793 58.000 0.071 0.000 1.282 739 F CB -0.575 38.496 39.000 0.118 0.000 1.010 739 F HN 0.177 nan 8.300 nan 0.000 0.485 740 S N -2.335 113.464 115.700 0.164 0.000 2.483 740 S HA 0.040 4.498 4.470 -0.020 0.000 0.221 740 S C 0.970 175.570 174.600 -0.001 0.000 1.030 740 S CA -0.002 58.255 58.200 0.094 0.000 0.925 740 S CB -0.976 62.283 63.200 0.099 0.000 0.795 740 S HN 0.107 nan 8.310 nan 0.000 0.511 741 T N 3.402 117.878 114.554 -0.130 0.000 2.923 741 T HA 0.023 4.361 4.350 -0.020 0.000 0.304 741 T C 0.046 174.719 174.700 -0.044 0.000 1.044 741 T CA 0.331 62.339 62.100 -0.154 0.000 1.141 741 T CB 0.101 68.783 68.868 -0.310 0.000 1.023 741 T HN 0.379 nan 8.240 nan 0.000 0.533 742 R N 2.732 123.226 120.500 -0.010 0.000 2.230 742 R HA 0.221 4.548 4.340 -0.020 0.000 0.337 742 R C 0.876 177.190 176.300 0.023 0.000 1.063 742 R CA -0.355 55.756 56.100 0.019 0.000 0.935 742 R CB 0.173 30.490 30.300 0.029 0.000 1.121 742 R HN 0.767 nan 8.270 nan 0.000 0.486 743 T N 0.654 115.226 114.554 0.030 0.000 3.268 743 T HA 0.097 4.435 4.350 -0.020 0.000 0.244 743 T C 0.849 175.584 174.700 0.057 0.000 0.915 743 T CA 0.048 62.171 62.100 0.038 0.000 0.935 743 T CB 0.149 69.036 68.868 0.033 0.000 1.110 743 T HN 0.642 nan 8.240 nan 0.000 0.573 744 S N 0.353 116.086 115.700 0.055 0.000 2.443 744 S HA -0.249 4.208 4.470 -0.020 0.000 0.241 744 S C 1.238 175.891 174.600 0.088 0.000 1.257 744 S CA 1.867 60.102 58.200 0.058 0.000 1.628 744 S CB -1.728 61.502 63.200 0.050 0.000 2.116 744 S HN 0.861 nan 8.310 nan 0.000 0.638 745 S N 1.406 117.184 115.700 0.130 0.000 2.685 745 S HA 0.528 4.985 4.470 -0.020 0.000 0.240 745 S C 0.997 175.745 174.600 0.247 0.000 0.967 745 S CA 0.496 58.851 58.200 0.259 0.000 1.009 745 S CB 0.183 63.527 63.200 0.240 0.000 0.776 745 S HN 1.565 nan 8.310 nan 0.000 0.467 746 G N 2.296 111.184 108.800 0.146 0.000 2.584 746 G HA2 -0.216 3.731 3.960 -0.020 0.000 0.229 746 G HA3 -0.216 3.731 3.960 -0.020 0.000 0.229 746 G C -0.356 174.588 174.900 0.074 0.000 1.320 746 G CA -0.317 44.852 45.100 0.115 0.000 0.891 746 G HN 0.875 nan 8.290 nan 0.000 0.573 747 I N -2.196 118.411 120.570 0.062 0.000 2.822 747 I HA 0.799 4.957 4.170 -0.020 0.000 0.312 747 I C 1.412 177.554 176.117 0.041 0.000 1.011 747 I CA -1.179 60.154 61.300 0.056 0.000 1.105 747 I CB 1.474 39.516 38.000 0.070 0.000 1.291 747 I HN 0.721 nan 8.210 nan 0.000 0.474 748 L N 2.901 124.180 121.223 0.093 0.000 1.993 748 L HA 0.253 4.581 4.340 -0.020 0.000 0.206 748 L C -0.274 176.635 176.870 0.066 0.000 1.074 748 L CA 1.601 56.507 54.840 0.110 0.000 0.746 748 L CB -0.676 41.519 42.059 0.227 0.000 0.896 748 L HN 0.700 nan 8.230 nan 0.000 0.435 749 Y N -0.850 119.614 120.300 0.273 0.000 2.544 749 Y HA 0.356 4.894 4.550 -0.020 0.000 0.342 749 Y C -0.103 175.831 175.900 0.057 0.000 1.062 749 Y CA -1.364 56.809 58.100 0.122 0.000 1.023 749 Y CB 1.120 39.587 38.460 0.012 0.000 1.308 749 Y HN -0.110 nan 8.280 nan 0.000 0.457 750 E N 2.079 122.387 120.200 0.180 0.000 2.324 750 E HA 0.247 4.585 4.350 -0.020 0.000 0.271 750 E C -0.997 175.608 176.600 0.009 0.000 1.028 750 E CA -0.024 56.431 56.400 0.090 0.000 0.890 750 E CB 1.257 30.998 29.700 0.068 0.000 1.004 750 E HN 0.303 nan 8.360 nan 0.000 0.431 751 V N 3.696 123.594 119.914 -0.027 0.000 2.417 751 V HA 0.136 4.243 4.120 -0.020 0.000 0.291 751 V C -0.010 176.055 176.094 -0.049 0.000 1.024 751 V CA -0.775 61.456 62.300 -0.115 0.000 0.861 751 V CB 1.906 33.629 31.823 -0.167 0.000 0.985 751 V HN 0.476 nan 8.190 nan 0.000 0.436 752 D N 4.001 124.355 120.400 -0.077 0.000 2.441 752 D HA 0.525 5.152 4.640 -0.020 0.000 0.231 752 D C 0.317 176.563 176.300 -0.090 0.000 1.073 752 D CA -0.348 53.620 54.000 -0.054 0.000 0.850 752 D CB 1.929 42.702 40.800 -0.046 0.000 1.062 752 D HN 0.616 nan 8.370 nan 0.000 0.524 753 A N 4.362 127.146 122.820 -0.060 0.000 2.507 753 A HA 0.146 4.454 4.320 -0.020 0.000 0.270 753 A C 1.642 179.181 177.584 -0.074 0.000 1.318 753 A CA -0.267 51.714 52.037 -0.094 0.000 0.924 753 A CB -0.049 18.946 19.000 -0.009 0.000 1.061 753 A HN 0.517 nan 8.150 nan 0.000 0.516 754 R N -0.620 119.845 120.500 -0.057 0.000 2.235 754 R HA 0.106 4.434 4.340 -0.020 0.000 0.213 754 R C 0.875 177.162 176.300 -0.022 0.000 1.059 754 R CA 0.703 56.791 56.100 -0.019 0.000 0.997 754 R CB -0.157 30.143 30.300 0.001 0.000 0.884 754 R HN 0.509 nan 8.270 nan 0.000 0.462 755 L N 1.425 122.572 121.223 -0.127 0.000 2.591 755 L HA 0.061 4.389 4.340 -0.020 0.000 0.228 755 L C 0.853 177.586 176.870 -0.227 0.000 1.133 755 L CA -0.150 54.577 54.840 -0.189 0.000 0.880 755 L CB -0.235 41.527 42.059 -0.496 0.000 1.033 755 L HN 0.165 nan 8.230 nan 0.000 0.450 756 R N 0.697 121.092 120.500 -0.175 0.000 2.861 756 R HA 0.112 4.439 4.340 -0.020 0.000 0.268 756 R C -2.346 173.863 176.300 -0.152 0.000 1.027 756 R CA -1.484 54.539 56.100 -0.128 0.000 1.163 756 R CB -1.109 29.138 30.300 -0.088 0.000 1.060 756 R HN -0.181 nan 8.270 nan 0.000 0.483 757 P HA -0.033 nan 4.420 nan 0.000 0.261 757 P C -0.453 176.572 177.300 -0.459 0.000 1.183 757 P CA 0.759 63.306 63.100 -0.921 0.000 0.761 757 P CB 0.795 31.769 31.700 -1.209 0.000 0.785 758 S N 1.197 116.787 115.700 -0.182 0.000 3.228 758 S HA -0.161 4.297 4.470 -0.020 0.000 0.282 758 S C 1.051 175.697 174.600 0.078 0.000 1.286 758 S CA 0.949 59.181 58.200 0.054 0.000 1.066 758 S CB -2.178 61.037 63.200 0.025 0.000 1.277 758 S HN 1.110 nan 8.310 nan 0.000 0.661 759 G N 1.153 109.994 108.800 0.069 0.000 2.578 759 G HA2 -0.010 3.938 3.960 -0.020 0.000 0.275 759 G HA3 -0.010 3.938 3.960 -0.020 0.000 0.275 759 G C 0.877 175.808 174.900 0.052 0.000 1.271 759 G CA 0.956 46.108 45.100 0.086 0.000 0.941 759 G HN 1.661 nan 8.290 nan 0.000 0.564 760 A N -0.865 121.989 122.820 0.058 0.000 2.076 760 A HA 0.252 4.560 4.320 -0.020 0.000 0.220 760 A C 2.833 180.446 177.584 0.050 0.000 1.160 760 A CA 3.108 55.175 52.037 0.049 0.000 0.653 760 A CB -0.761 18.267 19.000 0.046 0.000 0.801 760 A HN 2.305 nan 8.150 nan 0.000 0.455 761 A N -0.498 122.355 122.820 0.055 0.000 2.167 761 A HA 0.424 4.731 4.320 -0.020 0.000 0.214 761 A C 1.443 179.052 177.584 0.041 0.000 1.151 761 A CA 0.804 52.872 52.037 0.051 0.000 0.735 761 A CB -0.757 18.280 19.000 0.061 0.000 0.802 761 A HN 0.695 nan 8.150 nan 0.000 0.467 762 G N -1.274 107.543 108.800 0.028 0.000 2.537 762 G HA2 0.445 4.393 3.960 -0.020 0.000 0.273 762 G HA3 0.445 4.393 3.960 -0.020 0.000 0.273 762 G C -0.015 174.900 174.900 0.024 0.000 1.189 762 G CA -0.567 44.536 45.100 0.005 0.000 0.881 762 G HN 0.180 nan 8.290 nan 0.000 0.535 763 M N 0.124 119.739 119.600 0.026 0.000 2.246 763 M HA 0.014 4.482 4.480 -0.020 0.000 0.327 763 M C 1.367 177.713 176.300 0.076 0.000 1.090 763 M CA -0.222 55.111 55.300 0.055 0.000 1.087 763 M CB 0.668 33.307 32.600 0.064 0.000 1.587 763 M HN 0.421 nan 8.290 nan 0.000 0.444 764 L N 4.133 125.423 121.223 0.112 0.000 2.395 764 L HA 0.232 4.559 4.340 -0.020 0.000 0.218 764 L C 0.008 177.035 176.870 0.262 0.000 1.130 764 L CA 0.758 55.704 54.840 0.177 0.000 0.826 764 L CB 0.236 42.395 42.059 0.167 0.000 0.941 764 L HN 0.485 nan 8.230 nan 0.000 0.451 765 V N -1.446 118.594 119.914 0.211 0.000 2.962 765 V HA 0.609 4.717 4.120 -0.020 0.000 0.313 765 V C -0.748 175.417 176.094 0.118 0.000 1.099 765 V CA -0.316 62.124 62.300 0.233 0.000 0.971 765 V CB 2.427 34.472 31.823 0.370 0.000 1.028 765 V HN 0.194 nan 8.190 nan 0.000 0.430 766 T N 3.052 117.588 114.554 -0.030 0.000 2.900 766 T HA 0.488 4.826 4.350 -0.020 0.000 0.295 766 T C -0.332 174.058 174.700 -0.518 0.000 1.044 766 T CA -0.242 61.775 62.100 -0.138 0.000 0.995 766 T CB 1.606 70.450 68.868 -0.040 0.000 1.072 766 T HN 1.048 nan 8.240 nan 0.000 0.473 767 S N 1.178 116.545 115.700 -0.555 0.000 2.584 767 S HA 0.436 4.894 4.470 -0.020 0.000 0.270 767 S C 1.648 176.097 174.600 -0.251 0.000 1.346 767 S CA -0.213 57.642 58.200 -0.575 0.000 1.018 767 S CB 0.658 63.778 63.200 -0.134 0.000 0.899 767 S HN 0.898 nan 8.310 nan 0.000 0.542 768 A N 1.238 123.898 122.820 -0.267 0.000 2.015 768 A HA -0.004 4.304 4.320 -0.020 0.000 0.219 768 A C 2.156 179.683 177.584 -0.095 0.000 1.163 768 A CA 1.046 52.914 52.037 -0.282 0.000 0.646 768 A CB -0.731 17.799 19.000 -0.783 0.000 0.806 768 A HN 0.830 nan 8.150 nan 0.000 0.448 769 E N 0.080 120.264 120.200 -0.027 0.000 2.046 769 E HA -0.044 4.293 4.350 -0.020 0.000 0.190 769 E C 2.365 179.008 176.600 0.072 0.000 0.982 769 E CA 1.237 57.686 56.400 0.081 0.000 0.800 769 E CB -0.657 29.109 29.700 0.110 0.000 0.756 769 E HN 0.519 nan 8.360 nan 0.000 0.449 770 A N 0.507 123.362 122.820 0.058 0.000 1.933 770 A HA -0.177 4.131 4.320 -0.020 0.000 0.218 770 A C 2.149 179.794 177.584 0.101 0.000 1.175 770 A CA 1.267 53.343 52.037 0.064 0.000 0.628 770 A CB -0.847 18.180 19.000 0.046 0.000 0.814 770 A HN 0.298 nan 8.150 nan 0.000 0.444 771 F N 1.027 120.951 119.950 -0.043 0.000 2.095 771 F HA -0.131 4.388 4.527 -0.014 0.000 0.298 771 F C 2.523 178.353 175.800 0.050 0.000 1.104 771 F CA 1.336 59.331 58.000 -0.008 0.000 1.232 771 F CB -0.432 38.542 39.000 -0.042 0.000 0.987 771 F HN 0.256 nan 8.300 nan 0.000 0.475 772 A N 0.092 122.953 122.820 0.069 0.000 1.877 772 A HA -0.206 4.101 4.320 -0.020 0.000 0.216 772 A C 1.993 179.526 177.584 -0.085 0.000 1.186 772 A CA 2.005 54.017 52.037 -0.041 0.000 0.620 772 A CB -1.119 17.911 19.000 0.049 0.000 0.822 772 A HN 0.446 nan 8.150 nan 0.000 0.443 773 D N -1.584 118.801 120.400 -0.025 0.000 2.123 773 D HA -0.189 4.439 4.640 -0.020 0.000 0.196 773 D C 1.689 177.950 176.300 -0.065 0.000 0.992 773 D CA 1.782 55.761 54.000 -0.035 0.000 0.833 773 D CB -0.536 40.265 40.800 0.001 0.000 0.954 773 D HN 0.656 nan 8.370 nan 0.000 0.455 774 Y N 1.506 121.698 120.300 -0.180 0.000 2.145 774 Y HA -0.207 4.334 4.550 -0.015 0.000 0.286 774 Y C 2.204 177.942 175.900 -0.270 0.000 1.145 774 Y CA 1.561 59.531 58.100 -0.216 0.000 1.148 774 Y CB -0.083 38.254 38.460 -0.206 0.000 0.981 774 Y HN -0.124 nan 8.280 nan 0.000 0.507 775 Q N 0.617 120.268 119.800 -0.250 0.000 2.226 775 Q HA -0.156 4.172 4.340 -0.020 0.000 0.204 775 Q C 1.941 177.833 176.000 -0.180 0.000 0.975 775 Q CA 1.689 57.327 55.803 -0.275 0.000 0.866 775 Q CB -0.117 28.405 28.738 -0.360 0.000 0.915 775 Q HN 0.602 nan 8.270 nan 0.000 0.440 776 K N -0.005 120.272 120.400 -0.206 0.000 2.128 776 K HA 0.014 4.322 4.320 -0.020 0.000 0.202 776 K C 1.643 178.126 176.600 -0.196 0.000 1.050 776 K CA 0.980 57.168 56.287 -0.165 0.000 0.966 776 K CB 0.072 32.489 32.500 -0.138 0.000 0.759 776 K HN 0.185 nan 8.250 nan 0.000 0.454 777 N N 0.119 118.674 118.700 -0.242 0.000 2.402 777 N HA -0.036 4.692 4.740 -0.020 0.000 0.174 777 N C 1.256 176.532 175.510 -0.391 0.000 1.027 777 N CA 0.578 53.475 53.050 -0.254 0.000 0.891 777 N CB 0.457 38.832 38.487 -0.187 0.000 1.016 777 N HN 0.158 nan 8.380 nan 0.000 0.439 778 E N 0.518 120.361 120.200 -0.595 0.000 2.367 778 E HA 0.200 4.537 4.350 -0.020 0.000 0.204 778 E C 0.209 176.124 176.600 -1.141 0.000 0.840 778 E CA -0.144 55.758 56.400 -0.830 0.000 1.051 778 E CB 0.293 29.491 29.700 -0.835 0.000 1.051 778 E HN 0.137 nan 8.360 nan 0.000 0.509 779 A N 1.909 124.021 122.820 -1.179 0.000 2.540 779 A HA 0.073 4.381 4.320 -0.020 0.000 0.239 779 A C -0.494 176.469 177.584 -1.035 0.000 1.061 779 A CA 0.139 51.533 52.037 -1.071 0.000 0.758 779 A CB -0.281 18.319 19.000 -0.666 0.000 0.991 779 A HN 0.148 nan 8.150 nan 0.000 0.502 780 W N 1.269 122.087 121.300 -0.804 0.000 2.086 780 W HA 0.319 4.969 4.660 -0.016 0.000 0.355 780 W C 1.586 177.623 176.519 -0.803 0.000 1.313 780 W CA 0.063 56.968 57.345 -0.733 0.000 1.358 780 W CB 0.268 29.238 29.460 -0.817 0.000 1.166 780 W HN 0.726 nan 8.180 nan 0.000 0.630 781 T N 1.193 115.645 114.554 -0.170 0.000 2.720 781 T HA -0.235 4.103 4.350 -0.020 0.000 0.268 781 T C 1.608 176.290 174.700 -0.031 0.000 1.037 781 T CA 2.026 64.042 62.100 -0.140 0.000 1.144 781 T CB -0.482 68.405 68.868 0.033 0.000 0.864 781 T HN 0.681 nan 8.240 nan 0.000 0.444 782 W N 1.899 123.227 121.300 0.047 0.000 2.392 782 W HA -0.035 4.614 4.660 -0.019 0.000 0.279 782 W C 1.361 177.926 176.519 0.077 0.000 1.225 782 W CA 0.756 58.124 57.345 0.039 0.000 1.233 782 W CB -0.644 28.846 29.460 0.049 0.000 1.122 782 W HN 0.377 nan 8.180 nan 0.000 0.561 783 E N 0.302 120.237 120.200 -0.440 0.000 2.107 783 E HA -0.166 4.172 4.350 -0.020 0.000 0.191 783 E C 1.882 178.510 176.600 0.047 0.000 0.982 783 E CA 1.345 57.558 56.400 -0.311 0.000 0.809 783 E CB -0.622 28.712 29.700 -0.609 0.000 0.756 783 E HN 0.537 nan 8.360 nan 0.000 0.459 784 H N 0.631 119.649 119.070 -0.087 0.000 2.387 784 H HA -0.088 4.455 4.556 -0.021 0.000 0.299 784 H C 2.187 177.519 175.328 0.006 0.000 1.090 784 H CA 0.751 56.772 56.048 -0.045 0.000 1.332 784 H CB 0.157 29.869 29.762 -0.082 0.000 1.386 784 H HN 0.156 nan 8.280 nan 0.000 0.516 785 Q N 0.249 120.132 119.800 0.138 0.000 2.124 785 Q HA -0.124 4.204 4.340 -0.020 0.000 0.202 785 Q C 2.597 178.655 176.000 0.097 0.000 0.977 785 Q CA 1.070 56.906 55.803 0.054 0.000 0.850 785 Q CB 0.013 28.717 28.738 -0.057 0.000 0.901 785 Q HN 0.472 nan 8.270 nan 0.000 0.429 786 A N 0.545 123.493 122.820 0.213 0.000 1.929 786 A HA -0.125 4.182 4.320 -0.020 0.000 0.216 786 A C 1.960 179.702 177.584 0.262 0.000 1.176 786 A CA 0.763 52.993 52.037 0.322 0.000 0.628 786 A CB -0.465 18.832 19.000 0.494 0.000 0.816 786 A HN 0.346 nan 8.150 nan 0.000 0.444 787 L N 0.102 121.478 121.223 0.255 0.000 2.265 787 L HA -0.094 4.234 4.340 -0.020 0.000 0.215 787 L C 2.221 179.077 176.870 -0.024 0.000 1.117 787 L CA 1.434 56.320 54.840 0.077 0.000 0.782 787 L CB -0.443 41.721 42.059 0.175 0.000 0.914 787 L HN 0.148 nan 8.230 nan 0.000 0.441 788 V N 0.084 120.006 119.914 0.012 0.000 2.332 788 V HA -0.312 3.796 4.120 -0.020 0.000 0.248 788 V C 2.563 178.651 176.094 -0.010 0.000 1.055 788 V CA 2.175 64.471 62.300 -0.007 0.000 1.038 788 V CB -0.730 31.095 31.823 0.002 0.000 0.651 788 V HN 0.511 nan 8.190 nan 0.000 0.450 789 R N 0.271 120.760 120.500 -0.017 0.000 2.276 789 R HA 0.209 4.537 4.340 -0.020 0.000 0.203 789 R C 0.935 177.176 176.300 -0.097 0.000 1.017 789 R CA 0.600 56.690 56.100 -0.016 0.000 1.010 789 R CB -0.222 30.092 30.300 0.023 0.000 0.900 789 R HN 0.487 nan 8.270 nan 0.000 0.469 790 A N 2.684 125.368 122.820 -0.227 0.000 2.340 790 A HA 0.399 4.706 4.320 -0.020 0.000 0.268 790 A C 0.186 177.699 177.584 -0.119 0.000 1.100 790 A CA -0.417 51.376 52.037 -0.406 0.000 0.803 790 A CB 0.405 18.880 19.000 -0.875 0.000 1.043 790 A HN 0.350 nan 8.150 nan 0.000 0.488 791 R N 0.558 120.937 120.500 -0.202 0.000 2.710 791 R HA 0.531 4.859 4.340 -0.020 0.000 0.270 791 R C -1.972 174.130 176.300 -0.331 0.000 1.021 791 R CA -0.803 55.231 56.100 -0.109 0.000 0.889 791 R CB 0.833 31.139 30.300 0.010 0.000 1.243 791 R HN 0.345 nan 8.270 nan 0.000 0.464 792 V N 2.931 122.657 119.914 -0.315 0.000 2.485 792 V HA 0.008 4.116 4.120 -0.020 0.000 0.287 792 V C 1.365 177.338 176.094 -0.203 0.000 1.022 792 V CA 0.346 62.442 62.300 -0.340 0.000 1.067 792 V CB 1.130 32.811 31.823 -0.237 0.000 0.967 792 V HN 0.681 nan 8.190 nan 0.000 0.479 793 V N 2.611 122.406 119.914 -0.198 0.000 3.661 793 V HA 0.396 4.503 4.120 -0.020 0.000 0.271 793 V C 0.068 176.166 176.094 0.007 0.000 1.315 793 V CA 0.179 62.400 62.300 -0.132 0.000 1.072 793 V CB -0.418 31.290 31.823 -0.193 0.000 0.830 793 V HN 0.662 nan 8.190 nan 0.000 0.443 794 Y N 0.288 120.531 120.300 -0.095 0.000 2.441 794 Y HA 0.784 5.321 4.550 -0.021 0.000 0.334 794 Y C -0.289 175.585 175.900 -0.044 0.000 1.061 794 Y CA 0.052 58.140 58.100 -0.021 0.000 1.032 794 Y CB 1.798 40.293 38.460 0.059 0.000 1.266 794 Y HN 0.371 nan 8.280 nan 0.000 0.441 795 G N 4.160 112.581 108.800 -0.632 0.000 2.378 795 G HA2 0.307 4.255 3.960 -0.020 0.000 0.302 795 G HA3 0.307 4.255 3.960 -0.020 0.000 0.302 795 G C -1.823 172.882 174.900 -0.325 0.000 1.669 795 G CA -0.641 44.249 45.100 -0.350 0.000 0.920 795 G HN 0.881 nan 8.290 nan 0.000 0.697 796 D N 1.676 121.956 120.400 -0.199 0.000 2.352 796 D HA 0.361 4.989 4.640 -0.020 0.000 0.238 796 D C -1.458 174.800 176.300 -0.070 0.000 1.286 796 D CA -0.959 52.967 54.000 -0.123 0.000 0.923 796 D CB 0.833 41.596 40.800 -0.060 0.000 1.146 796 D HN 0.148 nan 8.370 nan 0.000 0.471 797 P HA -0.096 nan 4.420 nan 0.000 0.218 797 P C 1.190 178.494 177.300 0.007 0.000 1.152 797 P CA 1.249 64.339 63.100 -0.017 0.000 0.826 797 P CB 0.097 31.789 31.700 -0.014 0.000 0.790 798 Q N -0.522 119.287 119.800 0.015 0.000 2.030 798 Q HA -0.164 4.163 4.340 -0.020 0.000 0.204 798 Q C 2.066 178.112 176.000 0.077 0.000 0.986 798 Q CA 1.371 57.198 55.803 0.040 0.000 0.843 798 Q CB -1.547 27.220 28.738 0.048 0.000 0.904 798 Q HN 0.140 nan 8.270 nan 0.000 0.420 799 L N -0.066 121.199 121.223 0.070 0.000 2.109 799 L HA -0.086 4.241 4.340 -0.020 0.000 0.207 799 L C 1.865 178.788 176.870 0.087 0.000 1.086 799 L CA 1.913 56.805 54.840 0.087 0.000 0.760 799 L CB -0.973 41.105 42.059 0.030 0.000 0.910 799 L HN 0.233 nan 8.230 nan 0.000 0.437 800 T N -0.115 114.464 114.554 0.042 0.000 2.720 800 T HA -0.202 4.136 4.350 -0.020 0.000 0.268 800 T C 1.879 176.646 174.700 0.111 0.000 1.037 800 T CA 1.501 63.634 62.100 0.055 0.000 1.144 800 T CB -0.445 68.426 68.868 0.004 0.000 0.864 800 T HN 0.509 nan 8.240 nan 0.000 0.444 801 A N 0.388 123.255 122.820 0.078 0.000 1.930 801 A HA -0.109 4.199 4.320 -0.020 0.000 0.217 801 A C 1.985 179.627 177.584 0.096 0.000 1.175 801 A CA 1.893 53.964 52.037 0.057 0.000 0.627 801 A CB -0.917 18.095 19.000 0.020 0.000 0.815 801 A HN 0.740 nan 8.150 nan 0.000 0.443 802 H N -2.240 116.842 119.070 0.020 0.000 2.293 802 H HA -0.191 4.352 4.556 -0.021 0.000 0.300 802 H C 1.902 177.243 175.328 0.020 0.000 1.082 802 H CA 1.801 57.860 56.048 0.019 0.000 1.308 802 H CB -0.218 29.564 29.762 0.034 0.000 1.375 802 H HN 0.499 nan 8.280 nan 0.000 0.495 803 F N 1.802 121.792 119.950 0.066 0.000 2.095 803 F HA -0.247 4.268 4.527 -0.021 0.000 0.298 803 F C 1.969 177.772 175.800 0.006 0.000 1.104 803 F CA 1.890 59.869 58.000 -0.035 0.000 1.232 803 F CB -0.406 38.507 39.000 -0.145 0.000 0.987 803 F HN 0.208 nan 8.300 nan 0.000 0.475 804 D N 0.547 120.907 120.400 -0.067 0.000 2.149 804 D HA -0.181 4.447 4.640 -0.020 0.000 0.198 804 D C 2.351 178.517 176.300 -0.223 0.000 0.990 804 D CA 1.504 55.401 54.000 -0.172 0.000 0.839 804 D CB -0.629 40.151 40.800 -0.033 0.000 0.948 804 D HN 0.433 nan 8.370 nan 0.000 0.460 805 A N 0.464 123.210 122.820 -0.124 0.000 1.929 805 A HA -0.081 4.227 4.320 -0.020 0.000 0.216 805 A C 2.541 180.051 177.584 -0.123 0.000 1.176 805 A CA 0.852 52.828 52.037 -0.102 0.000 0.628 805 A CB -0.605 18.362 19.000 -0.055 0.000 0.816 805 A HN 0.126 nan 8.150 nan 0.000 0.444 806 V N 0.371 120.216 119.914 -0.116 0.000 2.261 806 V HA -0.282 3.826 4.120 -0.020 0.000 0.246 806 V C 2.697 178.650 176.094 -0.234 0.000 1.047 806 V CA 2.410 64.641 62.300 -0.115 0.000 1.015 806 V CB -0.804 31.021 31.823 0.004 0.000 0.642 806 V HN 0.729 nan 8.190 nan 0.000 0.446 807 R N 0.241 120.469 120.500 -0.453 0.000 2.081 807 R HA -0.210 4.117 4.340 -0.020 0.000 0.235 807 R C 2.477 178.616 176.300 -0.269 0.000 1.131 807 R CA 2.020 57.875 56.100 -0.409 0.000 0.960 807 R CB -0.355 29.569 30.300 -0.626 0.000 0.856 807 R HN 0.450 nan 8.270 nan 0.000 0.436 808 R N 0.675 121.028 120.500 -0.246 0.000 2.091 808 R HA -0.155 4.173 4.340 -0.020 0.000 0.238 808 R C 1.915 178.125 176.300 -0.150 0.000 1.136 808 R CA 2.044 58.039 56.100 -0.175 0.000 0.959 808 R CB -0.138 30.069 30.300 -0.155 0.000 0.856 808 R HN 0.398 nan 8.270 nan 0.000 0.437 809 E N 0.102 120.213 120.200 -0.147 0.000 2.070 809 E HA -0.226 4.112 4.350 -0.020 0.000 0.197 809 E C 1.961 178.460 176.600 -0.168 0.000 1.004 809 E CA 1.511 57.834 56.400 -0.129 0.000 0.805 809 E CB -0.065 29.567 29.700 -0.114 0.000 0.744 809 E HN 0.347 nan 8.360 nan 0.000 0.451 810 I N 0.788 121.222 120.570 -0.226 0.000 2.202 810 I HA -0.249 3.909 4.170 -0.020 0.000 0.242 810 I C 2.386 178.317 176.117 -0.310 0.000 1.091 810 I CA 1.203 62.299 61.300 -0.339 0.000 1.368 810 I CB -1.108 36.649 38.000 -0.405 0.000 1.058 810 I HN 0.201 nan 8.210 nan 0.000 0.410 811 M N 0.651 120.120 119.600 -0.219 0.000 2.108 811 M HA -0.158 4.310 4.480 -0.020 0.000 0.261 811 M C 2.046 178.274 176.300 -0.121 0.000 1.066 811 M CA 2.132 57.337 55.300 -0.159 0.000 1.107 811 M CB -1.888 30.639 32.600 -0.122 0.000 1.356 811 M HN 0.449 nan 8.290 nan 0.000 0.406 812 T N -1.928 112.568 114.554 -0.096 0.000 3.144 812 T HA 0.326 4.664 4.350 -0.020 0.000 0.249 812 T C 0.708 175.418 174.700 0.018 0.000 1.089 812 T CA -0.258 61.834 62.100 -0.013 0.000 0.989 812 T CB -0.623 68.244 68.868 -0.002 0.000 0.992 812 T HN 0.156 nan 8.240 nan 0.000 0.540 813 L N 2.764 123.926 121.223 -0.101 0.000 2.485 813 L HA 0.269 4.597 4.340 -0.020 0.000 0.275 813 L C -1.936 174.783 176.870 -0.251 0.000 1.207 813 L CA -1.851 52.894 54.840 -0.159 0.000 0.855 813 L CB 0.049 42.001 42.059 -0.179 0.000 1.114 813 L HN 0.093 nan 8.230 nan 0.000 0.485 814 P HA 0.261 nan 4.420 nan 0.000 0.276 814 P C -1.134 176.004 177.300 -0.270 0.000 1.230 814 P CA -0.294 62.463 63.100 -0.571 0.000 0.776 814 P CB 0.789 32.013 31.700 -0.793 0.000 0.888 815 R N 1.295 121.674 120.500 -0.201 0.000 2.628 815 R HA 0.292 4.619 4.340 -0.020 0.000 0.288 815 R C -0.159 176.079 176.300 -0.104 0.000 0.980 815 R CA -0.927 55.099 56.100 -0.124 0.000 0.891 815 R CB 1.739 31.979 30.300 -0.100 0.000 1.188 815 R HN 0.426 nan 8.270 nan 0.000 0.450 816 E N 1.404 121.564 120.200 -0.067 0.000 2.415 816 E HA -0.032 4.306 4.350 -0.020 0.000 0.260 816 E C 0.822 177.404 176.600 -0.031 0.000 1.016 816 E CA 0.333 56.708 56.400 -0.043 0.000 0.924 816 E CB 1.340 31.027 29.700 -0.022 0.000 0.961 816 E HN 0.881 nan 8.360 nan 0.000 0.459 817 G N 4.694 113.472 108.800 -0.037 0.000 2.414 817 G HA2 -0.288 3.660 3.960 -0.020 0.000 0.215 817 G HA3 -0.288 3.660 3.960 -0.020 0.000 0.215 817 G C 1.428 176.368 174.900 0.066 0.000 1.188 817 G CA 0.862 45.949 45.100 -0.021 0.000 0.783 817 G HN 0.520 nan 8.290 nan 0.000 0.537 818 K N -0.191 120.238 120.400 0.049 0.000 2.057 818 K HA -0.106 4.202 4.320 -0.020 0.000 0.207 818 K C 2.590 179.217 176.600 0.045 0.000 1.049 818 K CA 1.763 58.080 56.287 0.051 0.000 0.931 818 K CB -0.349 32.169 32.500 0.031 0.000 0.714 818 K HN 0.279 nan 8.250 nan 0.000 0.440 819 T N 2.006 116.582 114.554 0.036 0.000 2.746 819 T HA -0.171 4.167 4.350 -0.020 0.000 0.267 819 T C 1.686 176.419 174.700 0.056 0.000 1.039 819 T CA 1.393 63.515 62.100 0.036 0.000 1.142 819 T CB -0.228 68.654 68.868 0.024 0.000 0.866 819 T HN 0.215 nan 8.240 nan 0.000 0.444 820 L N 1.183 122.452 121.223 0.076 0.000 2.017 820 L HA -0.064 4.263 4.340 -0.020 0.000 0.208 820 L C 2.550 179.516 176.870 0.161 0.000 1.073 820 L CA 1.888 56.801 54.840 0.121 0.000 0.745 820 L CB -0.884 41.246 42.059 0.120 0.000 0.894 820 L HN 0.237 nan 8.230 nan 0.000 0.432 821 Q N -0.995 118.910 119.800 0.176 0.000 2.045 821 Q HA -0.246 4.082 4.340 -0.020 0.000 0.206 821 Q C 1.969 177.905 176.000 -0.107 0.000 0.991 821 Q CA 2.829 58.576 55.803 -0.094 0.000 0.851 821 Q CB -0.246 28.443 28.738 -0.081 0.000 0.911 821 Q HN 0.628 nan 8.270 nan 0.000 0.418 822 T N 1.046 115.588 114.554 -0.019 0.000 2.699 822 T HA -0.186 4.152 4.350 -0.020 0.000 0.268 822 T C 1.466 176.190 174.700 0.039 0.000 1.036 822 T CA 1.738 63.841 62.100 0.005 0.000 1.147 822 T CB -0.207 68.672 68.868 0.019 0.000 0.862 822 T HN 0.436 nan 8.240 nan 0.000 0.446 823 E N 0.300 120.535 120.200 0.060 0.000 2.072 823 E HA -0.073 4.264 4.350 -0.020 0.000 0.191 823 E C 2.424 179.104 176.600 0.134 0.000 0.985 823 E CA 0.897 57.352 56.400 0.091 0.000 0.801 823 E CB -0.206 29.552 29.700 0.096 0.000 0.750 823 E HN 0.273 nan 8.360 nan 0.000 0.452 824 V N 1.274 121.265 119.914 0.128 0.000 2.295 824 V HA -0.265 3.843 4.120 -0.020 0.000 0.246 824 V C 2.446 178.729 176.094 0.314 0.000 1.049 824 V CA 1.969 64.394 62.300 0.208 0.000 1.024 824 V CB -0.509 31.391 31.823 0.128 0.000 0.648 824 V HN 0.184 nan 8.190 nan 0.000 0.447 825 R N 0.179 120.775 120.500 0.159 0.000 2.083 825 R HA -0.237 4.091 4.340 -0.020 0.000 0.237 825 R C 2.439 178.896 176.300 0.262 0.000 1.137 825 R CA 2.156 58.408 56.100 0.253 0.000 0.951 825 R CB -0.321 30.032 30.300 0.090 0.000 0.851 825 R HN 0.705 nan 8.270 nan 0.000 0.434 826 E N -0.272 120.028 120.200 0.167 0.000 2.150 826 E HA -0.239 4.099 4.350 -0.020 0.000 0.193 826 E C 1.854 178.529 176.600 0.125 0.000 0.985 826 E CA 1.266 57.738 56.400 0.120 0.000 0.814 826 E CB -0.020 29.726 29.700 0.077 0.000 0.752 826 E HN 0.248 nan 8.360 nan 0.000 0.466 827 M N 0.641 120.354 119.600 0.189 0.000 2.193 827 M HA -0.010 4.457 4.480 -0.020 0.000 0.265 827 M C 2.172 178.593 176.300 0.201 0.000 1.071 827 M CA 1.309 56.730 55.300 0.202 0.000 1.140 827 M CB -0.201 32.578 32.600 0.299 0.000 1.369 827 M HN -0.054 nan 8.290 nan 0.000 0.423 828 R N 0.491 121.152 120.500 0.269 0.000 2.096 828 R HA -0.159 4.169 4.340 -0.020 0.000 0.240 828 R C 1.895 178.117 176.300 -0.129 0.000 1.139 828 R CA 1.971 57.989 56.100 -0.138 0.000 0.952 828 R CB -0.663 29.623 30.300 -0.024 0.000 0.854 828 R HN 0.325 nan 8.270 nan 0.000 0.436 829 E N 0.355 120.554 120.200 -0.002 0.000 2.072 829 E HA -0.178 4.160 4.350 -0.020 0.000 0.191 829 E C 1.782 178.372 176.600 -0.016 0.000 0.985 829 E CA 1.327 57.714 56.400 -0.022 0.000 0.801 829 E CB -0.322 29.399 29.700 0.034 0.000 0.750 829 E HN 0.240 nan 8.360 nan 0.000 0.452 830 K N 0.675 121.078 120.400 0.006 0.000 2.044 830 K HA -0.110 4.198 4.320 -0.020 0.000 0.210 830 K C 2.115 178.723 176.600 0.013 0.000 1.049 830 K CA 1.651 57.944 56.287 0.010 0.000 0.927 830 K CB -0.316 32.165 32.500 -0.032 0.000 0.713 830 K HN 0.055 nan 8.250 nan 0.000 0.443 831 M N -0.220 119.349 119.600 -0.052 0.000 2.132 831 M HA -0.081 4.386 4.480 -0.020 0.000 0.263 831 M C 2.394 178.665 176.300 -0.048 0.000 1.065 831 M CA 1.576 56.833 55.300 -0.073 0.000 1.122 831 M CB -0.189 32.342 32.600 -0.116 0.000 1.365 831 M HN 0.141 nan 8.290 nan 0.000 0.411 832 R N 0.351 120.792 120.500 -0.098 0.000 2.152 832 R HA -0.116 4.212 4.340 -0.020 0.000 0.232 832 R C 1.910 178.179 176.300 -0.052 0.000 1.117 832 R CA 1.424 57.462 56.100 -0.102 0.000 0.981 832 R CB -0.146 30.062 30.300 -0.153 0.000 0.870 832 R HN 0.380 nan 8.270 nan 0.000 0.451 833 A N -0.679 122.139 122.820 -0.003 0.000 2.119 833 A HA -0.083 4.225 4.320 -0.020 0.000 0.216 833 A C 1.233 178.762 177.584 -0.091 0.000 1.152 833 A CA 0.862 52.881 52.037 -0.030 0.000 0.708 833 A CB -0.256 18.744 19.000 0.001 0.000 0.805 833 A HN 0.442 nan 8.150 nan 0.000 0.460 834 H N -2.357 116.664 119.070 -0.082 0.000 2.705 834 H HA 0.256 4.801 4.556 -0.019 0.000 0.269 834 H C 0.434 175.718 175.328 -0.074 0.000 0.998 834 H CA 0.321 56.324 56.048 -0.075 0.000 1.193 834 H CB 0.791 30.508 29.762 -0.075 0.000 1.485 834 H HN 0.362 nan 8.280 nan 0.000 0.521 835 L N -0.932 120.302 121.223 0.018 0.000 2.885 835 L HA 0.248 4.576 4.340 -0.020 0.000 0.251 835 L C 1.358 178.198 176.870 -0.051 0.000 1.071 835 L CA 0.392 55.222 54.840 -0.017 0.000 0.956 835 L CB -0.003 42.041 42.059 -0.025 0.000 1.483 835 L HN 0.021 nan 8.230 nan 0.000 0.525 836 G N 0.563 109.323 108.800 -0.067 0.000 2.370 836 G HA2 0.107 4.055 3.960 -0.020 0.000 0.272 836 G HA3 0.107 4.055 3.960 -0.020 0.000 0.272 836 G C 0.098 174.952 174.900 -0.076 0.000 1.208 836 G CA -0.273 44.780 45.100 -0.078 0.000 0.856 836 G HN 0.125 nan 8.290 nan 0.000 0.500 837 N N 1.362 120.017 118.700 -0.075 0.000 2.292 837 N HA -0.070 4.657 4.740 -0.020 0.000 0.258 837 N C 0.537 175.988 175.510 -0.099 0.000 1.261 837 N CA 0.612 53.608 53.050 -0.090 0.000 0.845 837 N CB 0.482 38.898 38.487 -0.117 0.000 1.064 837 N HN 0.412 nan 8.380 nan 0.000 0.471 838 K N 2.219 122.540 120.400 -0.132 0.000 2.485 838 K HA -0.084 4.224 4.320 -0.020 0.000 0.277 838 K C -0.842 175.648 176.600 -0.184 0.000 0.990 838 K CA 0.484 56.630 56.287 -0.235 0.000 0.994 838 K CB 0.163 32.478 32.500 -0.310 0.000 0.906 838 K HN 0.603 nan 8.250 nan 0.000 0.488 839 H N -0.460 118.561 119.070 -0.082 0.000 4.330 839 H HA -0.094 4.450 4.556 -0.020 0.000 0.404 839 H C 0.956 176.254 175.328 -0.050 0.000 1.001 839 H CA 0.540 56.545 56.048 -0.071 0.000 1.172 839 H CB -0.933 28.768 29.762 -0.101 0.000 1.498 839 H HN 0.852 nan 8.280 nan 0.000 0.384 840 R N 3.206 123.755 120.500 0.081 0.000 2.080 840 R HA -0.168 4.159 4.340 -0.020 0.000 0.236 840 R C 1.770 178.111 176.300 0.067 0.000 1.137 840 R CA 2.347 58.478 56.100 0.051 0.000 0.943 840 R CB -0.980 29.341 30.300 0.035 0.000 0.846 840 R HN 0.727 nan 8.270 nan 0.000 0.431 841 D N -0.065 120.376 120.400 0.069 0.000 2.403 841 D HA -0.097 4.531 4.640 -0.020 0.000 0.227 841 D C -0.013 176.336 176.300 0.082 0.000 0.995 841 D CA 0.403 54.439 54.000 0.060 0.000 0.928 841 D CB -0.087 40.736 40.800 0.038 0.000 0.887 841 D HN 0.353 nan 8.370 nan 0.000 0.529 842 R N -0.112 120.444 120.500 0.093 0.000 2.664 842 R HA 0.420 4.748 4.340 -0.020 0.000 0.286 842 R C -1.009 175.415 176.300 0.208 0.000 0.967 842 R CA -0.998 55.183 56.100 0.135 0.000 0.933 842 R CB 1.038 31.365 30.300 0.045 0.000 1.146 842 R HN 0.068 nan 8.270 nan 0.000 0.468 843 F N 2.472 122.484 119.950 0.104 0.000 2.361 843 F HA 0.216 4.731 4.527 -0.021 0.000 0.364 843 F C -0.087 175.795 175.800 0.137 0.000 1.117 843 F CA -1.254 56.809 58.000 0.104 0.000 1.071 843 F CB 0.787 39.862 39.000 0.126 0.000 1.188 843 F HN 0.331 nan 8.300 nan 0.000 0.464 844 D N 6.737 126.922 120.400 -0.360 0.000 2.316 844 D HA 0.123 4.751 4.640 -0.020 0.000 0.245 844 D C 1.344 177.140 176.300 -0.841 0.000 1.171 844 D CA 0.059 53.811 54.000 -0.413 0.000 0.856 844 D CB 0.894 41.589 40.800 -0.175 0.000 1.090 844 D HN 0.726 nan 8.370 nan 0.000 0.476 845 I N 3.781 123.890 120.570 -0.768 0.000 2.315 845 I HA -0.204 3.954 4.170 -0.020 0.000 0.248 845 I C 2.463 178.371 176.117 -0.347 0.000 1.117 845 I CA 0.846 61.683 61.300 -0.771 0.000 1.404 845 I CB 0.036 37.807 38.000 -0.382 0.000 1.071 845 I HN 0.400 nan 8.210 nan 0.000 0.419 846 K N 1.139 121.402 120.400 -0.228 0.000 2.044 846 K HA -0.029 4.279 4.320 -0.020 0.000 0.204 846 K C 2.142 178.677 176.600 -0.109 0.000 1.045 846 K CA 1.249 57.469 56.287 -0.112 0.000 0.951 846 K CB -0.038 32.419 32.500 -0.073 0.000 0.738 846 K HN 0.211 nan 8.250 nan 0.000 0.443 847 A N 0.930 123.669 122.820 -0.136 0.000 1.984 847 A HA 0.038 4.346 4.320 -0.020 0.000 0.214 847 A C 0.371 177.887 177.584 -0.113 0.000 1.173 847 A CA 0.600 52.565 52.037 -0.119 0.000 0.673 847 A CB -0.167 18.773 19.000 -0.100 0.000 0.830 847 A HN 0.318 nan 8.150 nan 0.000 0.453 848 D N 0.660 121.017 120.400 -0.073 0.000 2.377 848 D HA 0.233 4.860 4.640 -0.020 0.000 0.245 848 D C 0.036 176.367 176.300 0.052 0.000 1.196 848 D CA -0.328 53.688 54.000 0.027 0.000 0.962 848 D CB 0.205 41.116 40.800 0.186 0.000 1.127 848 D HN 0.307 nan 8.370 nan 0.000 0.471 849 E N -0.322 119.878 120.200 0.001 0.000 2.502 849 E HA 0.183 4.521 4.350 -0.020 0.000 0.261 849 E C 0.871 177.489 176.600 0.030 0.000 0.974 849 E CA 0.745 57.099 56.400 -0.077 0.000 0.936 849 E CB 0.373 30.023 29.700 -0.083 0.000 0.926 849 E HN 0.704 nan 8.360 nan 0.000 0.459 850 G N 2.425 111.218 108.800 -0.011 0.000 2.176 850 G HA2 -0.251 3.697 3.960 -0.020 0.000 0.253 850 G HA3 -0.251 3.697 3.960 -0.020 0.000 0.253 850 G C 0.512 175.500 174.900 0.147 0.000 0.979 850 G CA 0.027 45.154 45.100 0.046 0.000 0.641 850 G HN 0.797 nan 8.290 nan 0.000 0.530 851 G N -0.750 108.161 108.800 0.184 0.000 2.606 851 G HA2 0.637 4.585 3.960 -0.020 0.000 0.262 851 G HA3 0.637 4.585 3.960 -0.020 0.000 0.262 851 G C 1.227 176.194 174.900 0.110 0.000 1.394 851 G CA -0.192 45.037 45.100 0.215 0.000 1.044 851 G HN 0.308 nan 8.290 nan 0.000 0.553 852 I N -0.339 120.277 120.570 0.077 0.000 2.252 852 I HA -0.143 4.015 4.170 -0.020 0.000 0.245 852 I C 2.946 179.141 176.117 0.130 0.000 1.102 852 I CA 1.378 62.758 61.300 0.133 0.000 1.385 852 I CB -0.236 37.833 38.000 0.115 0.000 1.064 852 I HN 0.386 nan 8.210 nan 0.000 0.414 853 T N -0.117 114.468 114.554 0.050 0.000 2.833 853 T HA -0.165 4.173 4.350 -0.020 0.000 0.269 853 T C 1.428 176.145 174.700 0.028 0.000 1.054 853 T CA 1.349 63.473 62.100 0.040 0.000 1.135 853 T CB -0.316 68.491 68.868 -0.101 0.000 0.869 853 T HN 0.273 nan 8.240 nan 0.000 0.466 854 D N 1.079 121.447 120.400 -0.054 0.000 2.123 854 D HA -0.031 4.597 4.640 -0.020 0.000 0.196 854 D C 1.963 178.439 176.300 0.293 0.000 0.992 854 D CA 0.828 54.809 54.000 -0.031 0.000 0.833 854 D CB -0.299 40.423 40.800 -0.129 0.000 0.954 854 D HN 0.377 nan 8.370 nan 0.000 0.455 855 I N 0.608 121.315 120.570 0.228 0.000 2.315 855 I HA -0.178 3.980 4.170 -0.020 0.000 0.248 855 I C 2.398 178.639 176.117 0.207 0.000 1.117 855 I CA 0.862 62.294 61.300 0.221 0.000 1.404 855 I CB -0.275 37.823 38.000 0.163 0.000 1.071 855 I HN 0.064 nan 8.210 nan 0.000 0.419 856 E N 1.378 121.718 120.200 0.232 0.000 2.077 856 E HA -0.238 4.100 4.350 -0.020 0.000 0.193 856 E C 2.141 178.960 176.600 0.366 0.000 0.989 856 E CA 1.520 58.066 56.400 0.242 0.000 0.800 856 E CB -0.091 29.775 29.700 0.277 0.000 0.746 856 E HN 0.342 nan 8.360 nan 0.000 0.452 857 F N 0.820 120.906 119.950 0.226 0.000 2.325 857 F HA -0.001 4.514 4.527 -0.020 0.000 0.299 857 F C 2.112 178.089 175.800 0.295 0.000 1.090 857 F CA 0.643 58.827 58.000 0.307 0.000 1.392 857 F CB -0.168 39.109 39.000 0.461 0.000 1.053 857 F HN 0.063 nan 8.300 nan 0.000 0.521 858 I N -0.427 120.422 120.570 0.466 0.000 2.202 858 I HA -0.291 3.867 4.170 -0.020 0.000 0.242 858 I C 2.568 178.773 176.117 0.147 0.000 1.091 858 I CA 1.843 63.319 61.300 0.292 0.000 1.368 858 I CB -0.718 37.455 38.000 0.289 0.000 1.058 858 I HN 0.178 nan 8.210 nan 0.000 0.410 859 T N -1.696 112.919 114.554 0.100 0.000 2.821 859 T HA -0.194 4.144 4.350 -0.020 0.000 0.267 859 T C 1.779 176.487 174.700 0.013 0.000 1.046 859 T CA 1.124 63.230 62.100 0.010 0.000 1.139 859 T CB -0.372 68.487 68.868 -0.016 0.000 0.871 859 T HN 0.373 nan 8.240 nan 0.000 0.454 860 Q N -0.400 119.431 119.800 0.050 0.000 2.046 860 Q HA -0.032 4.296 4.340 -0.020 0.000 0.200 860 Q C 2.069 178.091 176.000 0.036 0.000 0.975 860 Q CA 1.553 57.361 55.803 0.009 0.000 0.836 860 Q CB -0.446 28.253 28.738 -0.066 0.000 0.896 860 Q HN 0.644 nan 8.270 nan 0.000 0.428 861 Y N 1.553 121.829 120.300 -0.040 0.000 2.040 861 Y HA -0.306 4.231 4.550 -0.022 0.000 0.275 861 Y C 1.777 177.647 175.900 -0.050 0.000 1.171 861 Y CA 1.734 59.810 58.100 -0.041 0.000 1.123 861 Y CB -0.497 37.945 38.460 -0.029 0.000 0.963 861 Y HN 0.031 nan 8.280 nan 0.000 0.493 862 L N -1.256 119.831 121.223 -0.227 0.000 2.093 862 L HA -0.200 4.127 4.340 -0.020 0.000 0.208 862 L C 2.398 179.161 176.870 -0.178 0.000 1.085 862 L CA 1.044 55.685 54.840 -0.331 0.000 0.755 862 L CB -0.672 41.201 42.059 -0.310 0.000 0.904 862 L HN 0.158 nan 8.230 nan 0.000 0.435 863 V N 0.145 119.984 119.914 -0.126 0.000 2.307 863 V HA -0.275 3.833 4.120 -0.020 0.000 0.245 863 V C 2.368 178.399 176.094 -0.105 0.000 1.045 863 V CA 1.580 63.830 62.300 -0.085 0.000 1.024 863 V CB -0.336 31.451 31.823 -0.058 0.000 0.651 863 V HN 0.344 nan 8.190 nan 0.000 0.449 864 L N -0.386 120.763 121.223 -0.123 0.000 2.131 864 L HA -0.185 4.143 4.340 -0.020 0.000 0.210 864 L C 2.679 179.432 176.870 -0.195 0.000 1.092 864 L CA 1.749 56.517 54.840 -0.119 0.000 0.759 864 L CB -0.562 41.464 42.059 -0.056 0.000 0.903 864 L HN 0.285 nan 8.230 nan 0.000 0.435 865 R N -0.668 119.617 120.500 -0.358 0.000 2.075 865 R HA -0.138 4.190 4.340 -0.020 0.000 0.226 865 R C 1.738 177.732 176.300 -0.510 0.000 1.114 865 R CA 1.450 57.216 56.100 -0.557 0.000 0.972 865 R CB -0.009 29.677 30.300 -1.024 0.000 0.869 865 R HN 0.242 nan 8.270 nan 0.000 0.437 866 Y N -1.046 119.143 120.300 -0.185 0.000 2.444 866 Y HA 0.380 4.919 4.550 -0.018 0.000 0.249 866 Y C 1.749 177.599 175.900 -0.084 0.000 1.134 866 Y CA 0.135 58.161 58.100 -0.123 0.000 1.261 866 Y CB 0.531 38.900 38.460 -0.153 0.000 1.143 866 Y HN 0.159 nan 8.280 nan 0.000 0.523 867 A N -0.373 122.461 122.820 0.024 0.000 2.019 867 A HA -0.232 4.076 4.320 -0.020 0.000 0.219 867 A C 2.054 179.647 177.584 0.014 0.000 1.164 867 A CA 1.737 53.773 52.037 -0.002 0.000 0.644 867 A CB -0.895 18.081 19.000 -0.040 0.000 0.805 867 A HN 0.621 nan 8.150 nan 0.000 0.449 868 H N -0.213 118.818 119.070 -0.065 0.000 2.353 868 H HA -0.118 4.428 4.556 -0.018 0.000 0.300 868 H C 1.838 177.144 175.328 -0.036 0.000 1.090 868 H CA 1.923 57.934 56.048 -0.062 0.000 1.327 868 H CB 0.173 29.890 29.762 -0.073 0.000 1.383 868 H HN 0.664 nan 8.280 nan 0.000 0.508 869 E N -0.027 120.143 120.200 -0.050 0.000 2.112 869 E HA -0.033 4.305 4.350 -0.020 0.000 0.190 869 E C 0.285 176.844 176.600 -0.067 0.000 0.979 869 E CA 0.567 56.922 56.400 -0.075 0.000 0.814 869 E CB 0.399 30.127 29.700 0.046 0.000 0.762 869 E HN 0.105 nan 8.360 nan 0.000 0.460 870 K N 0.839 121.221 120.400 -0.029 0.000 2.606 870 K HA 0.181 4.489 4.320 -0.020 0.000 0.196 870 K C -2.310 174.259 176.600 -0.051 0.000 1.048 870 K CA -1.779 54.483 56.287 -0.041 0.000 1.017 870 K CB 1.221 33.703 32.500 -0.030 0.000 1.413 870 K HN -0.051 nan 8.250 nan 0.000 0.568 871 P HA -0.117 nan 4.420 nan 0.000 0.221 871 P C 0.753 178.004 177.300 -0.082 0.000 1.145 871 P CA 0.959 64.012 63.100 -0.078 0.000 0.795 871 P CB 0.348 31.994 31.700 -0.089 0.000 0.775 872 K N -0.341 120.014 120.400 -0.075 0.000 2.281 872 K HA -0.070 4.238 4.320 -0.020 0.000 0.203 872 K C 1.868 178.426 176.600 -0.071 0.000 1.046 872 K CA 0.787 57.028 56.287 -0.078 0.000 0.938 872 K CB -0.655 31.810 32.500 -0.059 0.000 0.737 872 K HN 0.210 nan 8.250 nan 0.000 0.458 873 L N 0.793 121.981 121.223 -0.057 0.000 2.353 873 L HA -0.150 4.178 4.340 -0.020 0.000 0.220 873 L C 2.330 179.169 176.870 -0.052 0.000 1.133 873 L CA 1.328 56.141 54.840 -0.044 0.000 0.798 873 L CB -0.936 41.099 42.059 -0.041 0.000 0.922 873 L HN 0.358 nan 8.230 nan 0.000 0.445 874 T N -3.821 110.683 114.554 -0.082 0.000 3.148 874 T HA -0.020 4.318 4.350 -0.020 0.000 0.253 874 T C 1.786 176.403 174.700 -0.138 0.000 1.134 874 T CA 0.045 62.087 62.100 -0.098 0.000 1.051 874 T CB -0.076 68.722 68.868 -0.117 0.000 0.959 874 T HN 0.290 nan 8.240 nan 0.000 0.525 875 R N -0.471 119.911 120.500 -0.197 0.000 2.115 875 R HA 0.119 4.447 4.340 -0.020 0.000 0.230 875 R C -0.105 175.842 176.300 -0.588 0.000 1.111 875 R CA 0.847 56.676 56.100 -0.451 0.000 0.976 875 R CB 0.036 30.001 30.300 -0.559 0.000 0.870 875 R HN 0.485 nan 8.270 nan 0.000 0.445 876 W N -1.569 119.722 121.300 -0.015 0.000 2.962 876 W HA 0.206 4.854 4.660 -0.020 0.000 0.341 876 W C 0.716 177.239 176.519 0.006 0.000 1.155 876 W CA -0.801 56.544 57.345 0.001 0.000 1.165 876 W CB 1.411 30.862 29.460 -0.016 0.000 1.435 876 W HN -0.202 nan 8.180 nan 0.000 0.546 877 S N -1.173 114.728 115.700 0.335 0.000 2.559 877 S HA 0.034 4.492 4.470 -0.020 0.000 0.226 877 S C -0.143 174.554 174.600 0.161 0.000 1.000 877 S CA -0.320 57.992 58.200 0.186 0.000 0.948 877 S CB -0.353 62.931 63.200 0.140 0.000 0.870 877 S HN 0.491 nan 8.310 nan 0.000 0.497 878 D N 1.180 121.694 120.400 0.190 0.000 2.229 878 D HA 0.261 4.889 4.640 -0.020 0.000 0.249 878 D C 0.131 176.436 176.300 0.008 0.000 1.027 878 D CA -0.698 53.378 54.000 0.127 0.000 0.923 878 D CB 0.767 41.673 40.800 0.178 0.000 1.174 878 D HN -0.121 nan 8.370 nan 0.000 0.443 879 N N 0.594 119.228 118.700 -0.110 0.000 2.120 879 N HA -0.114 4.614 4.740 -0.020 0.000 0.188 879 N C 1.908 177.313 175.510 -0.176 0.000 1.024 879 N CA 0.722 53.613 53.050 -0.266 0.000 0.852 879 N CB -0.446 37.581 38.487 -0.767 0.000 1.003 879 N HN 0.312 nan 8.380 nan 0.000 0.424 880 V N 1.637 121.494 119.914 -0.095 0.000 2.255 880 V HA -0.206 3.902 4.120 -0.020 0.000 0.247 880 V C 2.309 178.367 176.094 -0.060 0.000 1.051 880 V CA 1.659 63.942 62.300 -0.027 0.000 1.018 880 V CB -0.393 31.443 31.823 0.021 0.000 0.641 880 V HN 0.284 nan 8.190 nan 0.000 0.445 881 R N -0.736 119.705 120.500 -0.098 0.000 2.148 881 R HA 0.043 4.370 4.340 -0.020 0.000 0.223 881 R C 2.218 178.539 176.300 0.035 0.000 1.088 881 R CA 1.082 57.120 56.100 -0.102 0.000 0.985 881 R CB -0.321 29.774 30.300 -0.341 0.000 0.880 881 R HN 0.456 nan 8.270 nan 0.000 0.451 882 I N 0.497 121.087 120.570 0.034 0.000 2.179 882 I HA -0.282 3.876 4.170 -0.020 0.000 0.242 882 I C 1.883 177.995 176.117 -0.008 0.000 1.088 882 I CA 0.925 62.245 61.300 0.033 0.000 1.357 882 I CB -0.136 37.867 38.000 0.005 0.000 1.051 882 I HN 0.103 nan 8.210 nan 0.000 0.409 883 L N 0.633 121.837 121.223 -0.032 0.000 2.127 883 L HA -0.241 4.087 4.340 -0.020 0.000 0.211 883 L C 2.472 179.332 176.870 -0.018 0.000 1.089 883 L CA 1.842 56.661 54.840 -0.034 0.000 0.757 883 L CB -1.221 40.822 42.059 -0.027 0.000 0.899 883 L HN 0.411 nan 8.230 nan 0.000 0.434 884 E N -0.726 119.471 120.200 -0.007 0.000 2.158 884 E HA -0.154 4.183 4.350 -0.020 0.000 0.191 884 E C 2.325 178.935 176.600 0.016 0.000 0.982 884 E CA 0.457 56.859 56.400 0.003 0.000 0.823 884 E CB 0.023 29.719 29.700 -0.006 0.000 0.766 884 E HN 0.468 nan 8.360 nan 0.000 0.468 885 L N 0.674 121.918 121.223 0.035 0.000 2.046 885 L HA -0.174 4.154 4.340 -0.020 0.000 0.208 885 L C 2.589 179.446 176.870 -0.022 0.000 1.077 885 L CA 0.847 55.705 54.840 0.029 0.000 0.747 885 L CB -0.361 41.732 42.059 0.057 0.000 0.896 885 L HN 0.244 nan 8.230 nan 0.000 0.432 886 L N -0.477 120.718 121.223 -0.047 0.000 2.131 886 L HA -0.190 4.138 4.340 -0.020 0.000 0.210 886 L C 2.777 179.598 176.870 -0.082 0.000 1.092 886 L CA 1.131 55.911 54.840 -0.099 0.000 0.759 886 L CB -0.626 41.346 42.059 -0.144 0.000 0.903 886 L HN 0.240 nan 8.230 nan 0.000 0.435 887 A N -0.780 122.014 122.820 -0.042 0.000 1.874 887 A HA -0.179 4.128 4.320 -0.020 0.000 0.214 887 A C 2.208 179.780 177.584 -0.020 0.000 1.189 887 A CA 0.953 52.977 52.037 -0.022 0.000 0.615 887 A CB -0.383 18.616 19.000 -0.002 0.000 0.830 887 A HN 0.366 nan 8.150 nan 0.000 0.443 888 Q N 0.002 119.795 119.800 -0.013 0.000 2.152 888 Q HA -0.141 4.186 4.340 -0.020 0.000 0.206 888 Q C 0.899 176.886 176.000 -0.022 0.000 0.985 888 Q CA 1.551 57.349 55.803 -0.009 0.000 0.863 888 Q CB -0.123 28.619 28.738 0.006 0.000 0.904 888 Q HN 0.604 nan 8.270 nan 0.000 0.422 889 N N 0.444 119.121 118.700 -0.039 0.000 2.268 889 N HA -0.025 4.703 4.740 -0.020 0.000 0.204 889 N C -0.842 174.624 175.510 -0.074 0.000 1.124 889 N CA 0.339 53.357 53.050 -0.054 0.000 0.838 889 N CB 0.663 39.114 38.487 -0.061 0.000 0.994 889 N HN 0.166 nan 8.380 nan 0.000 0.489 890 D N 0.421 120.784 120.400 -0.063 0.000 2.870 890 D HA -0.177 4.450 4.640 -0.020 0.000 0.228 890 D C 1.090 177.325 176.300 -0.108 0.000 1.147 890 D CA 0.335 54.298 54.000 -0.061 0.000 0.757 890 D CB -0.827 39.945 40.800 -0.045 0.000 1.091 890 D HN 0.312 nan 8.370 nan 0.000 0.429 891 I N -0.610 119.858 120.570 -0.170 0.000 2.296 891 I HA -0.013 4.145 4.170 -0.020 0.000 0.242 891 I C 1.639 177.681 176.117 -0.125 0.000 1.087 891 I CA 1.126 62.249 61.300 -0.294 0.000 1.393 891 I CB -0.310 37.404 38.000 -0.476 0.000 1.093 891 I HN 0.086 nan 8.210 nan 0.000 0.421 892 M N 0.605 120.157 119.600 -0.080 0.000 2.423 892 M HA 0.223 4.691 4.480 -0.020 0.000 0.335 892 M C -0.020 176.324 176.300 0.074 0.000 1.177 892 M CA -0.433 54.916 55.300 0.081 0.000 1.038 892 M CB 1.480 34.103 32.600 0.039 0.000 1.641 892 M HN -0.016 nan 8.290 nan 0.000 0.455 893 E N 1.579 121.848 120.200 0.115 0.000 2.452 893 E HA -0.068 4.270 4.350 -0.020 0.000 0.261 893 E C 0.600 177.237 176.600 0.062 0.000 0.987 893 E CA 0.027 56.471 56.400 0.074 0.000 0.926 893 E CB 0.611 30.356 29.700 0.075 0.000 0.934 893 E HN 0.552 nan 8.360 nan 0.000 0.452 894 E N 2.399 122.623 120.200 0.040 0.000 2.136 894 E HA -0.391 3.946 4.350 -0.020 0.000 0.208 894 E C 1.850 178.477 176.600 0.045 0.000 1.035 894 E CA 1.869 58.289 56.400 0.035 0.000 0.838 894 E CB 0.028 29.743 29.700 0.026 0.000 0.748 894 E HN 0.567 nan 8.360 nan 0.000 0.459 895 Q N 0.306 120.136 119.800 0.049 0.000 2.061 895 Q HA -0.221 4.106 4.340 -0.020 0.000 0.204 895 Q C 2.172 178.213 176.000 0.068 0.000 0.984 895 Q CA 1.989 57.823 55.803 0.052 0.000 0.846 895 Q CB -0.056 28.711 28.738 0.048 0.000 0.902 895 Q HN 0.281 nan 8.270 nan 0.000 0.421 896 E N -0.612 119.641 120.200 0.088 0.000 2.072 896 E HA -0.209 4.129 4.350 -0.020 0.000 0.191 896 E C 1.828 178.495 176.600 0.111 0.000 0.985 896 E CA 0.960 57.431 56.400 0.119 0.000 0.801 896 E CB -0.198 29.608 29.700 0.177 0.000 0.750 896 E HN 0.426 nan 8.360 nan 0.000 0.452 897 A N 1.200 124.071 122.820 0.086 0.000 1.892 897 A HA -0.216 4.092 4.320 -0.020 0.000 0.218 897 A C 2.207 179.826 177.584 0.058 0.000 1.188 897 A CA 1.948 54.019 52.037 0.057 0.000 0.631 897 A CB -0.486 18.532 19.000 0.029 0.000 0.822 897 A HN 0.318 nan 8.150 nan 0.000 0.447 898 M N -0.570 119.064 119.600 0.055 0.000 2.175 898 M HA -0.037 4.430 4.480 -0.020 0.000 0.264 898 M C 2.479 178.819 176.300 0.067 0.000 1.063 898 M CA 1.346 56.678 55.300 0.054 0.000 1.119 898 M CB -1.611 31.015 32.600 0.043 0.000 1.377 898 M HN 0.498 nan 8.290 nan 0.000 0.415 899 A N 0.324 123.189 122.820 0.074 0.000 1.877 899 A HA -0.121 4.187 4.320 -0.020 0.000 0.216 899 A C 2.290 179.933 177.584 0.098 0.000 1.186 899 A CA 1.285 53.371 52.037 0.082 0.000 0.620 899 A CB -0.910 18.140 19.000 0.084 0.000 0.822 899 A HN 0.467 nan 8.150 nan 0.000 0.443 900 L N -0.785 120.502 121.223 0.108 0.000 2.131 900 L HA -0.144 4.183 4.340 -0.020 0.000 0.210 900 L C 2.711 179.661 176.870 0.133 0.000 1.092 900 L CA 1.634 56.547 54.840 0.123 0.000 0.759 900 L CB -0.805 41.325 42.059 0.118 0.000 0.903 900 L HN 0.347 nan 8.230 nan 0.000 0.435 901 T N -0.704 113.917 114.554 0.111 0.000 2.777 901 T HA -0.120 4.218 4.350 -0.020 0.000 0.266 901 T C 2.048 176.841 174.700 0.154 0.000 1.040 901 T CA 1.079 63.258 62.100 0.132 0.000 1.141 901 T CB -0.060 68.858 68.868 0.084 0.000 0.868 901 T HN 0.300 nan 8.240 nan 0.000 0.444 902 R N 0.946 121.511 120.500 0.108 0.000 2.090 902 R HA 0.140 4.468 4.340 -0.020 0.000 0.228 902 R C 2.830 179.179 176.300 0.080 0.000 1.110 902 R CA 1.087 57.238 56.100 0.085 0.000 0.973 902 R CB -0.428 29.914 30.300 0.069 0.000 0.869 902 R HN 0.320 nan 8.270 nan 0.000 0.440 903 A N 0.801 123.680 122.820 0.098 0.000 1.940 903 A HA -0.236 4.072 4.320 -0.020 0.000 0.219 903 A C 1.989 179.620 177.584 0.079 0.000 1.176 903 A CA 1.314 53.399 52.037 0.080 0.000 0.631 903 A CB -0.661 18.400 19.000 0.102 0.000 0.814 903 A HN 0.462 nan 8.150 nan 0.000 0.446 904 Y N 1.738 122.045 120.300 0.012 0.000 2.133 904 Y HA -0.199 4.339 4.550 -0.020 0.000 0.287 904 Y C 2.866 178.756 175.900 -0.015 0.000 1.134 904 Y CA 2.568 60.671 58.100 0.005 0.000 1.133 904 Y CB -0.915 37.563 38.460 0.030 0.000 0.987 904 Y HN 0.410 nan 8.280 nan 0.000 0.502 905 T N -3.395 111.065 114.554 -0.157 0.000 2.833 905 T HA -0.154 4.183 4.350 -0.020 0.000 0.269 905 T C 1.806 176.394 174.700 -0.187 0.000 1.054 905 T CA 1.812 63.763 62.100 -0.248 0.000 1.135 905 T CB -1.065 67.776 68.868 -0.045 0.000 0.869 905 T HN 0.366 nan 8.240 nan 0.000 0.466 906 T N 1.911 116.395 114.554 -0.116 0.000 2.821 906 T HA 0.196 4.533 4.350 -0.020 0.000 0.267 906 T C 1.828 176.385 174.700 -0.238 0.000 1.046 906 T CA 0.962 63.003 62.100 -0.098 0.000 1.139 906 T CB -0.344 68.508 68.868 -0.027 0.000 0.871 906 T HN 0.321 nan 8.240 nan 0.000 0.454 907 L N 0.388 121.418 121.223 -0.322 0.000 2.049 907 L HA 0.048 4.375 4.340 -0.020 0.000 0.203 907 L C 2.871 179.546 176.870 -0.325 0.000 1.074 907 L CA 1.085 55.683 54.840 -0.403 0.000 0.749 907 L CB -0.558 41.331 42.059 -0.283 0.000 0.907 907 L HN 0.120 nan 8.230 nan 0.000 0.439 908 R N 0.537 120.801 120.500 -0.392 0.000 2.113 908 R HA -0.236 4.092 4.340 -0.020 0.000 0.244 908 R C 1.686 177.732 176.300 -0.425 0.000 1.142 908 R CA 2.398 58.234 56.100 -0.439 0.000 0.953 908 R CB -0.251 29.677 30.300 -0.620 0.000 0.860 908 R HN 0.353 nan 8.270 nan 0.000 0.438 909 D N -0.288 119.959 120.400 -0.256 0.000 2.234 909 D HA -0.112 4.516 4.640 -0.020 0.000 0.205 909 D C 1.689 178.000 176.300 0.018 0.000 0.962 909 D CA 0.834 54.795 54.000 -0.065 0.000 0.855 909 D CB -0.136 40.692 40.800 0.046 0.000 0.951 909 D HN 0.324 nan 8.370 nan 0.000 0.500 910 E N 0.563 120.753 120.200 -0.016 0.000 2.153 910 E HA -0.087 4.250 4.350 -0.020 0.000 0.194 910 E C 1.988 178.650 176.600 0.104 0.000 0.988 910 E CA 0.583 57.046 56.400 0.105 0.000 0.811 910 E CB -0.222 29.567 29.700 0.149 0.000 0.746 910 E HN 0.244 nan 8.360 nan 0.000 0.466 911 L N -0.099 121.091 121.223 -0.055 0.000 2.141 911 L HA -0.164 4.163 4.340 -0.020 0.000 0.209 911 L C 2.305 179.203 176.870 0.047 0.000 1.094 911 L CA 0.998 55.805 54.840 -0.056 0.000 0.763 911 L CB -0.503 41.460 42.059 -0.161 0.000 0.908 911 L HN 0.299 nan 8.230 nan 0.000 0.437 912 H N -1.680 117.469 119.070 0.132 0.000 2.353 912 H HA -0.210 4.334 4.556 -0.020 0.000 0.300 912 H C 2.170 177.631 175.328 0.222 0.000 1.090 912 H CA 1.863 58.047 56.048 0.226 0.000 1.327 912 H CB -0.468 29.421 29.762 0.213 0.000 1.383 912 H HN 0.483 nan 8.280 nan 0.000 0.508 913 H N 0.766 119.968 119.070 0.222 0.000 2.357 913 H HA -0.032 4.512 4.556 -0.021 0.000 0.301 913 H C 2.231 177.610 175.328 0.085 0.000 1.082 913 H CA 1.272 57.401 56.048 0.134 0.000 1.342 913 H CB -0.292 29.537 29.762 0.112 0.000 1.389 913 H HN 0.138 nan 8.280 nan 0.000 0.511 914 L N -0.034 121.218 121.223 0.048 0.000 2.093 914 L HA -0.081 4.247 4.340 -0.020 0.000 0.208 914 L C 2.920 179.749 176.870 -0.067 0.000 1.085 914 L CA 0.825 55.634 54.840 -0.051 0.000 0.755 914 L CB -0.670 41.412 42.059 0.039 0.000 0.904 914 L HN 0.470 nan 8.230 nan 0.000 0.435 915 A N 0.548 123.382 122.820 0.024 0.000 1.883 915 A HA -0.199 4.109 4.320 -0.020 0.000 0.217 915 A C 2.217 179.745 177.584 -0.094 0.000 1.186 915 A CA 1.647 53.703 52.037 0.031 0.000 0.624 915 A CB -0.853 18.276 19.000 0.215 0.000 0.822 915 A HN 0.387 nan 8.150 nan 0.000 0.444 916 L N -0.825 120.314 121.223 -0.141 0.000 2.265 916 L HA -0.162 4.166 4.340 -0.020 0.000 0.215 916 L C 2.008 178.759 176.870 -0.199 0.000 1.117 916 L CA 0.817 55.528 54.840 -0.216 0.000 0.782 916 L CB -0.295 41.656 42.059 -0.179 0.000 0.914 916 L HN 0.378 nan 8.230 nan 0.000 0.441 917 Q N -0.279 119.385 119.800 -0.225 0.000 2.282 917 Q HA 0.064 4.392 4.340 -0.020 0.000 0.206 917 Q C 0.037 175.961 176.000 -0.127 0.000 0.878 917 Q CA 0.002 55.689 55.803 -0.194 0.000 0.944 917 Q CB 0.589 29.165 28.738 -0.270 0.000 1.100 917 Q HN 0.409 nan 8.270 nan 0.000 0.509 918 E N 0.693 120.828 120.200 -0.109 0.000 2.440 918 E HA -0.208 4.129 4.350 -0.020 0.000 0.246 918 E C -0.726 175.832 176.600 -0.071 0.000 1.165 918 E CA 0.194 56.550 56.400 -0.074 0.000 0.726 918 E CB -1.511 28.151 29.700 -0.064 0.000 1.271 918 E HN 0.310 nan 8.360 nan 0.000 0.397 919 L N 0.480 121.653 121.223 -0.084 0.000 2.344 919 L HA 0.547 4.875 4.340 -0.020 0.000 0.272 919 L C -1.475 175.337 176.870 -0.096 0.000 1.035 919 L CA -2.091 52.694 54.840 -0.091 0.000 0.807 919 L CB 0.652 42.656 42.059 -0.091 0.000 1.237 919 L HN -0.091 nan 8.230 nan 0.000 0.442 920 P HA 0.089 nan 4.420 nan 0.000 0.274 920 P C 0.349 177.552 177.300 -0.162 0.000 1.256 920 P CA -0.408 62.599 63.100 -0.154 0.000 0.795 920 P CB 0.688 32.249 31.700 -0.231 0.000 1.038 921 G N -0.447 108.315 108.800 -0.063 0.000 3.155 921 G HA2 0.018 3.966 3.960 -0.020 0.000 0.213 921 G HA3 0.018 3.966 3.960 -0.020 0.000 0.213 921 G C 0.285 175.173 174.900 -0.021 0.000 1.196 921 G CA 0.134 45.210 45.100 -0.039 0.000 0.846 921 G HN 0.777 nan 8.290 nan 0.000 0.516 922 H N -2.121 116.925 119.070 -0.041 0.000 2.572 922 H HA 0.736 5.280 4.556 -0.020 0.000 0.359 922 H C -0.448 174.896 175.328 0.026 0.000 1.134 922 H CA -1.091 54.928 56.048 -0.048 0.000 1.187 922 H CB 1.985 31.726 29.762 -0.035 0.000 1.597 922 H HN 0.126 nan 8.280 nan 0.000 0.524 923 V N -0.497 119.529 119.914 0.187 0.000 3.119 923 V HA 0.592 4.700 4.120 -0.020 0.000 0.311 923 V C 0.383 176.611 176.094 0.224 0.000 1.259 923 V CA -0.915 61.491 62.300 0.176 0.000 1.067 923 V CB 1.305 33.256 31.823 0.213 0.000 1.123 923 V HN 0.953 nan 8.190 nan 0.000 0.463 924 S N -0.237 115.550 115.700 0.145 0.000 2.558 924 S HA 0.035 4.493 4.470 -0.020 0.000 0.288 924 S C 1.128 175.816 174.600 0.147 0.000 1.318 924 S CA 0.704 58.974 58.200 0.116 0.000 1.056 924 S CB 0.353 63.580 63.200 0.046 0.000 0.853 924 S HN 1.056 nan 8.310 nan 0.000 0.505 925 E N 2.725 122.999 120.200 0.124 0.000 2.279 925 E HA -0.216 4.122 4.350 -0.020 0.000 0.205 925 E C 0.939 177.557 176.600 0.031 0.000 1.028 925 E CA 2.159 58.615 56.400 0.094 0.000 0.830 925 E CB -0.190 29.544 29.700 0.058 0.000 0.736 925 E HN 0.733 nan 8.360 nan 0.000 0.478 926 D N -1.162 119.244 120.400 0.009 0.000 2.348 926 D HA 0.015 4.642 4.640 -0.020 0.000 0.211 926 D C 0.119 176.368 176.300 -0.085 0.000 0.998 926 D CA 0.149 54.127 54.000 -0.037 0.000 0.873 926 D CB -0.187 40.592 40.800 -0.035 0.000 0.925 926 D HN 0.160 nan 8.370 nan 0.000 0.524 927 C N 0.347 119.587 119.300 -0.100 0.000 2.520 927 C HA 0.171 4.619 4.460 -0.020 0.000 0.376 927 C C 0.598 175.477 174.990 -0.186 0.000 1.268 927 C CA -0.513 58.336 59.018 -0.282 0.000 2.414 927 C CB -0.708 26.784 27.740 -0.413 0.000 2.521 927 C HN 0.389 nan 8.230 nan 0.000 0.618 928 F N 0.782 120.713 119.950 -0.032 0.000 3.091 928 F HA -0.225 4.290 4.527 -0.020 0.000 0.288 928 F C 1.484 177.200 175.800 -0.138 0.000 0.907 928 F CA 0.971 58.934 58.000 -0.061 0.000 1.028 928 F CB -2.591 36.403 39.000 -0.009 0.000 1.022 928 F HN 0.798 nan 8.300 nan 0.000 0.665 929 T N -0.999 113.554 114.554 -0.001 0.000 2.746 929 T HA -0.133 4.205 4.350 -0.020 0.000 0.267 929 T C 2.117 176.814 174.700 -0.005 0.000 1.039 929 T CA 1.726 63.803 62.100 -0.037 0.000 1.142 929 T CB -0.205 68.638 68.868 -0.042 0.000 0.866 929 T HN 0.585 nan 8.240 nan 0.000 0.444 930 A N 1.424 124.263 122.820 0.032 0.000 1.873 930 A HA -0.079 4.229 4.320 -0.020 0.000 0.215 930 A C 2.206 179.821 177.584 0.052 0.000 1.186 930 A CA 1.613 53.674 52.037 0.040 0.000 0.616 930 A CB -0.522 18.507 19.000 0.049 0.000 0.823 930 A HN 0.441 nan 8.150 nan 0.000 0.442 931 E N 0.030 120.278 120.200 0.081 0.000 2.051 931 E HA -0.162 4.176 4.350 -0.020 0.000 0.192 931 E C 2.217 178.843 176.600 0.043 0.000 0.991 931 E CA 1.463 57.908 56.400 0.076 0.000 0.799 931 E CB -0.247 29.506 29.700 0.090 0.000 0.748 931 E HN 0.572 nan 8.360 nan 0.000 0.449 932 R N 0.337 120.830 120.500 -0.013 0.000 2.091 932 R HA -0.167 4.160 4.340 -0.020 0.000 0.238 932 R C 2.332 178.624 176.300 -0.012 0.000 1.136 932 R CA 1.488 57.547 56.100 -0.067 0.000 0.959 932 R CB -0.246 29.907 30.300 -0.245 0.000 0.856 932 R HN 0.093 nan 8.270 nan 0.000 0.437 933 E N 0.871 121.068 120.200 -0.004 0.000 2.110 933 E HA -0.162 4.176 4.350 -0.020 0.000 0.193 933 E C 1.696 178.327 176.600 0.051 0.000 0.988 933 E CA 1.046 57.457 56.400 0.018 0.000 0.804 933 E CB -0.108 29.600 29.700 0.013 0.000 0.745 933 E HN 0.050 nan 8.360 nan 0.000 0.458 934 L N -0.121 121.139 121.223 0.062 0.000 1.994 934 L HA -0.109 4.219 4.340 -0.020 0.000 0.208 934 L C 2.493 179.436 176.870 0.121 0.000 1.071 934 L CA 1.192 56.084 54.840 0.087 0.000 0.745 934 L CB -1.173 40.939 42.059 0.089 0.000 0.892 934 L HN 0.129 nan 8.230 nan 0.000 0.431 935 V N -0.447 119.541 119.914 0.123 0.000 2.343 935 V HA -0.296 3.812 4.120 -0.020 0.000 0.247 935 V C 2.675 178.890 176.094 0.202 0.000 1.051 935 V CA 1.574 63.975 62.300 0.167 0.000 1.036 935 V CB -0.618 31.290 31.823 0.142 0.000 0.654 935 V HN 0.417 nan 8.190 nan 0.000 0.451 936 R N 0.174 120.757 120.500 0.138 0.000 2.083 936 R HA -0.166 4.161 4.340 -0.020 0.000 0.237 936 R C 2.473 178.888 176.300 0.192 0.000 1.137 936 R CA 1.629 57.819 56.100 0.149 0.000 0.951 936 R CB -0.685 29.657 30.300 0.071 0.000 0.851 936 R HN 0.542 nan 8.270 nan 0.000 0.434 937 A N 0.379 123.280 122.820 0.136 0.000 1.902 937 A HA -0.157 4.151 4.320 -0.020 0.000 0.217 937 A C 2.242 179.902 177.584 0.128 0.000 1.181 937 A CA 1.746 53.847 52.037 0.108 0.000 0.623 937 A CB -0.469 18.574 19.000 0.071 0.000 0.818 937 A HN 0.234 nan 8.150 nan 0.000 0.443 938 S N -1.730 114.089 115.700 0.199 0.000 2.368 938 S HA -0.165 4.293 4.470 -0.020 0.000 0.225 938 S C 1.604 176.403 174.600 0.331 0.000 1.030 938 S CA 0.957 59.330 58.200 0.287 0.000 0.999 938 S CB -0.424 63.000 63.200 0.374 0.000 0.844 938 S HN 0.764 nan 8.310 nan 0.000 0.459 939 W N 2.172 123.571 121.300 0.165 0.000 2.338 939 W HA -0.226 4.421 4.660 -0.022 0.000 0.304 939 W C 2.253 178.823 176.519 0.085 0.000 1.212 939 W CA 2.056 59.484 57.345 0.139 0.000 1.264 939 W CB -0.500 29.015 29.460 0.091 0.000 1.142 939 W HN 0.348 nan 8.180 nan 0.000 0.512 940 Q N 1.122 121.032 119.800 0.183 0.000 2.084 940 Q HA -0.216 4.112 4.340 -0.020 0.000 0.202 940 Q C 2.315 178.265 176.000 -0.084 0.000 0.978 940 Q CA 2.384 58.220 55.803 0.055 0.000 0.844 940 Q CB -0.670 28.113 28.738 0.076 0.000 0.898 940 Q HN 0.210 nan 8.270 nan 0.000 0.426 941 K N -1.229 119.093 120.400 -0.129 0.000 2.025 941 K HA -0.135 4.173 4.320 -0.020 0.000 0.207 941 K C 1.622 177.965 176.600 -0.428 0.000 1.049 941 K CA 1.470 57.556 56.287 -0.337 0.000 0.933 941 K CB -0.257 31.949 32.500 -0.491 0.000 0.714 941 K HN 0.316 nan 8.250 nan 0.000 0.438 942 W N 0.064 121.325 121.300 -0.065 0.000 2.539 942 W HA 0.060 4.707 4.660 -0.021 0.000 0.281 942 W C 1.736 178.070 176.519 -0.309 0.000 1.220 942 W CA -0.358 56.958 57.345 -0.049 0.000 1.332 942 W CB 0.206 29.709 29.460 0.073 0.000 1.095 942 W HN 0.019 nan 8.180 nan 0.000 0.571 943 L N -0.575 120.408 121.223 -0.399 0.000 2.463 943 L HA 0.121 4.449 4.340 -0.020 0.000 0.219 943 L C 1.542 178.135 176.870 -0.461 0.000 1.088 943 L CA 0.821 55.212 54.840 -0.749 0.000 0.849 943 L CB -0.724 40.416 42.059 -1.531 0.000 1.012 943 L HN -0.055 nan 8.230 nan 0.000 0.468 944 V N -1.078 118.659 119.914 -0.296 0.000 3.212 944 V HA 0.093 4.201 4.120 -0.020 0.000 0.244 944 V C 0.849 176.890 176.094 -0.088 0.000 1.151 944 V CA 0.257 62.477 62.300 -0.134 0.000 1.119 944 V CB 0.610 32.410 31.823 -0.039 0.000 0.838 944 V HN 0.272 nan 8.190 nan 0.000 0.470 945 E N -0.173 119.968 120.200 -0.099 0.000 2.232 945 E HA 0.670 5.008 4.350 -0.020 0.000 0.265 945 E C -0.641 175.929 176.600 -0.050 0.000 1.001 945 E CA -0.270 56.086 56.400 -0.072 0.000 0.870 945 E CB 1.697 31.341 29.700 -0.093 0.000 1.175 945 E HN 0.357 nan 8.360 nan 0.000 0.407 946 E N 0.000 120.183 120.200 -0.028 0.000 2.725 946 E HA 0.000 4.338 4.350 -0.020 0.000 0.291 946 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 946 E CB 0.000 29.728 29.700 0.047 0.000 0.812 946 E HN 0.000 nan 8.360 nan 0.000 0.440