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 3l9x_1_A DATA FIRST_RESID 400 DATA SEQUENCE MRVIIAGFGR FGQITGRLLL SSGVKMVVLD HDPDHIETLR KFGMKVFYGD DATA SEQUENCE ATRMDLLESA GAAKAEVLIN AIDDPQTNLQ LTEMVKEHFP HLQIIARARD DATA SEQUENCE VDHYIRLRQA GVEKPERETF EGALKTGRLA LESLGLGPYE ARERADVFRR DATA SEQUENCE FNIQMVEEMA MVXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XMILIIYAHP YPHHSHANKR MLEQARTLEG VEIRSLYQLY PDFNIDIAAE DATA SEQUENCE QEALSRADLI VWQHPMQWYS IPPLLKLWID KVFSHGWAYG HGGTALHGKH DATA SEQUENCE LLWAVTTGGG ESHFEIGAHP GFDVLSQPLQ ATAIYCGLNW LPPFAMHCTF DATA SEQUENCE ICDDETLEGQ ARHYKQRLLE WQEAH 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 400 M HA 0.000 nan 4.480 nan 0.000 0.227 400 M C 0.000 176.306 176.300 0.010 0.000 1.140 400 M CA 0.000 55.310 55.300 0.017 0.000 0.988 400 M CB 0.000 32.609 32.600 0.015 0.000 1.302 401 R N 0.516 121.027 120.500 0.018 0.000 2.237 401 R HA 0.382 4.716 4.340 -0.010 0.000 0.195 401 R C 0.263 176.578 176.300 0.025 0.000 0.956 401 R CA 0.474 56.585 56.100 0.018 0.000 1.029 401 R CB 0.695 31.010 30.300 0.025 0.000 0.972 401 R HN 0.115 nan 8.270 nan 0.000 0.493 402 V N 2.117 122.053 119.914 0.037 0.000 2.540 402 V HA 0.396 4.510 4.120 -0.010 0.000 0.302 402 V C -0.435 175.694 176.094 0.058 0.000 1.035 402 V CA -0.768 61.565 62.300 0.054 0.000 0.873 402 V CB 2.272 34.144 31.823 0.080 0.000 0.992 402 V HN 0.082 nan 8.190 nan 0.000 0.428 403 I N 5.341 125.940 120.570 0.048 0.000 2.406 403 I HA 0.499 4.662 4.170 -0.010 0.000 0.290 403 I C -0.597 175.576 176.117 0.093 0.000 0.999 403 I CA -0.412 60.920 61.300 0.055 0.000 1.124 403 I CB 1.826 39.819 38.000 -0.011 0.000 1.289 403 I HN 0.397 nan 8.210 nan 0.000 0.441 404 I N 5.701 126.352 120.570 0.135 0.000 2.330 404 I HA 0.437 4.601 4.170 -0.010 0.000 0.289 404 I C 0.253 176.469 176.117 0.165 0.000 1.001 404 I CA -0.525 60.879 61.300 0.173 0.000 1.193 404 I CB 1.672 39.825 38.000 0.256 0.000 1.345 404 I HN 0.588 nan 8.210 nan 0.000 0.461 405 A N 5.299 128.202 122.820 0.138 0.000 2.252 405 A HA 0.740 5.054 4.320 -0.010 0.000 0.309 405 A C 0.488 178.162 177.584 0.150 0.000 1.285 405 A CA -0.110 52.004 52.037 0.129 0.000 0.900 405 A CB 0.313 19.366 19.000 0.088 0.000 1.157 405 A HN 1.083 nan 8.150 nan 0.000 0.536 406 G N 0.768 109.680 108.800 0.186 0.000 3.434 406 G HA2 -0.016 3.937 3.960 -0.010 0.000 0.686 406 G HA3 -0.016 3.937 3.960 -0.010 0.000 0.686 406 G C -0.638 174.416 174.900 0.257 0.000 1.099 406 G CA -0.368 44.851 45.100 0.198 0.000 0.931 406 G HN 1.191 nan 8.290 nan 0.000 0.520 407 F N 3.291 123.245 119.950 0.007 0.000 2.879 407 F HA 0.500 5.024 4.527 -0.005 0.000 0.354 407 F C 1.359 176.881 175.800 -0.464 0.000 1.291 407 F CA 0.161 58.059 58.000 -0.171 0.000 1.238 407 F CB 0.246 39.150 39.000 -0.161 0.000 1.005 407 F HN 0.805 nan 8.300 nan 0.000 0.508 408 G N 0.534 109.170 108.800 -0.272 0.000 2.489 408 G HA2 0.091 4.045 3.960 -0.010 0.000 0.271 408 G HA3 0.091 4.045 3.960 -0.010 0.000 0.271 408 G C 0.970 175.700 174.900 -0.283 0.000 1.427 408 G CA -0.490 44.447 45.100 -0.271 0.000 1.057 408 G HN 0.383 nan 8.290 nan 0.000 0.532 409 R N -1.567 118.858 120.500 -0.125 0.000 2.119 409 R HA -0.179 4.155 4.340 -0.010 0.000 0.246 409 R C 2.220 178.449 176.300 -0.119 0.000 1.146 409 R CA 1.952 57.985 56.100 -0.112 0.000 0.962 409 R CB -0.443 29.849 30.300 -0.014 0.000 0.863 409 R HN 0.451 nan 8.270 nan 0.000 0.442 410 F N 0.334 120.188 119.950 -0.160 0.000 2.074 410 F HA 0.031 4.551 4.527 -0.011 0.000 0.293 410 F C 2.425 178.114 175.800 -0.184 0.000 1.116 410 F CA 1.781 59.709 58.000 -0.120 0.000 1.212 410 F CB -0.796 38.174 39.000 -0.050 0.000 0.998 410 F HN 0.019 nan 8.300 nan 0.000 0.471 411 G N -0.611 108.242 108.800 0.087 0.000 2.442 411 G HA2 -0.276 3.678 3.960 -0.010 0.000 0.219 411 G HA3 -0.276 3.678 3.960 -0.010 0.000 0.219 411 G C 1.464 176.009 174.900 -0.591 0.000 1.141 411 G CA 0.929 45.969 45.100 -0.099 0.000 0.763 411 G HN 0.445 nan 8.290 nan 0.000 0.554 412 Q N -0.422 118.795 119.800 -0.971 0.000 2.050 412 Q HA -0.046 4.288 4.340 -0.010 0.000 0.202 412 Q C 2.609 178.259 176.000 -0.583 0.000 0.980 412 Q CA 1.019 56.065 55.803 -1.263 0.000 0.840 412 Q CB -0.158 28.030 28.738 -0.916 0.000 0.898 412 Q HN 0.377 nan 8.270 nan 0.000 0.424 413 I N 0.434 120.772 120.570 -0.387 0.000 2.252 413 I HA -0.207 3.957 4.170 -0.010 0.000 0.245 413 I C 2.130 178.142 176.117 -0.174 0.000 1.102 413 I CA 1.444 62.598 61.300 -0.243 0.000 1.385 413 I CB -1.357 36.490 38.000 -0.255 0.000 1.064 413 I HN 0.248 nan 8.210 nan 0.000 0.414 414 T N 0.877 115.311 114.554 -0.201 0.000 2.684 414 T HA -0.124 4.220 4.350 -0.010 0.000 0.267 414 T C 1.969 176.697 174.700 0.046 0.000 1.036 414 T CA 1.608 63.664 62.100 -0.073 0.000 1.148 414 T CB -0.795 68.061 68.868 -0.020 0.000 0.863 414 T HN 0.516 nan 8.240 nan 0.000 0.436 415 G N 1.305 110.148 108.800 0.071 0.000 2.446 415 G HA2 -0.246 3.708 3.960 -0.010 0.000 0.217 415 G HA3 -0.246 3.708 3.960 -0.010 0.000 0.217 415 G C 1.726 176.881 174.900 0.425 0.000 1.168 415 G CA 0.594 45.881 45.100 0.313 0.000 0.771 415 G HN 0.412 nan 8.290 nan 0.000 0.551 416 R N -0.639 120.004 120.500 0.238 0.000 2.096 416 R HA 0.023 4.357 4.340 -0.010 0.000 0.235 416 R C 2.469 178.875 176.300 0.176 0.000 1.127 416 R CA 1.036 57.313 56.100 0.295 0.000 0.968 416 R CB -0.436 29.960 30.300 0.160 0.000 0.861 416 R HN 0.384 nan 8.270 nan 0.000 0.440 417 L N 0.927 122.211 121.223 0.101 0.000 2.017 417 L HA -0.133 4.200 4.340 -0.010 0.000 0.208 417 L C 1.853 178.782 176.870 0.098 0.000 1.073 417 L CA 1.676 56.561 54.840 0.074 0.000 0.745 417 L CB -0.351 41.729 42.059 0.036 0.000 0.894 417 L HN 0.136 nan 8.230 nan 0.000 0.432 418 L N -1.165 120.134 121.223 0.128 0.000 2.042 418 L HA -0.256 4.078 4.340 -0.010 0.000 0.210 418 L C 2.589 179.525 176.870 0.111 0.000 1.076 418 L CA 1.237 56.152 54.840 0.124 0.000 0.749 418 L CB -0.568 41.580 42.059 0.148 0.000 0.893 418 L HN 0.341 nan 8.230 nan 0.000 0.432 419 L N -0.875 120.434 121.223 0.144 0.000 2.083 419 L HA -0.199 4.135 4.340 -0.010 0.000 0.209 419 L C 2.661 179.559 176.870 0.047 0.000 1.083 419 L CA 1.149 56.029 54.840 0.067 0.000 0.752 419 L CB -0.231 41.855 42.059 0.046 0.000 0.899 419 L HN 0.280 nan 8.230 nan 0.000 0.433 420 S N -0.678 115.064 115.700 0.070 0.000 2.399 420 S HA -0.125 4.339 4.470 -0.010 0.000 0.231 420 S C 1.716 176.341 174.600 0.042 0.000 1.022 420 S CA 1.353 59.584 58.200 0.051 0.000 0.983 420 S CB -0.033 63.200 63.200 0.055 0.000 0.803 420 S HN 0.394 nan 8.310 nan 0.000 0.480 421 S N 0.182 115.912 115.700 0.051 0.000 2.634 421 S HA 0.397 4.861 4.470 -0.010 0.000 0.221 421 S C 1.416 176.041 174.600 0.042 0.000 0.952 421 S CA 0.357 58.586 58.200 0.049 0.000 0.930 421 S CB 0.226 63.462 63.200 0.060 0.000 0.780 421 S HN 0.708 nan 8.310 nan 0.000 0.498 422 G N 1.203 110.021 108.800 0.031 0.000 2.162 422 G HA2 -0.265 3.688 3.960 -0.010 0.000 0.260 422 G HA3 -0.265 3.688 3.960 -0.010 0.000 0.260 422 G C 0.134 175.046 174.900 0.020 0.000 0.976 422 G CA 0.108 45.219 45.100 0.019 0.000 0.655 422 G HN 0.455 nan 8.290 nan 0.000 0.533 423 V N 0.886 120.821 119.914 0.034 0.000 2.508 423 V HA 0.335 4.449 4.120 -0.010 0.000 0.281 423 V C 0.892 177.002 176.094 0.026 0.000 1.041 423 V CA 0.027 62.351 62.300 0.039 0.000 1.016 423 V CB 1.288 33.149 31.823 0.062 0.000 0.984 423 V HN 0.350 nan 8.190 nan 0.000 0.478 424 K N 6.378 126.788 120.400 0.017 0.000 2.174 424 K HA 0.725 5.039 4.320 -0.010 0.000 0.275 424 K C -0.168 176.454 176.600 0.036 0.000 1.015 424 K CA -0.258 56.032 56.287 0.004 0.000 0.933 424 K CB 1.124 33.622 32.500 -0.003 0.000 1.025 424 K HN 0.798 nan 8.250 nan 0.000 0.463 425 M N -0.294 119.333 119.600 0.044 0.000 2.683 425 M HA 0.528 5.002 4.480 -0.010 0.000 0.274 425 M C -1.135 175.222 176.300 0.094 0.000 1.272 425 M CA -1.161 54.192 55.300 0.088 0.000 0.833 425 M CB 1.648 34.340 32.600 0.153 0.000 1.708 425 M HN 0.352 nan 8.290 nan 0.000 0.463 426 V N -0.138 119.849 119.914 0.122 0.000 2.815 426 V HA 0.902 5.016 4.120 -0.010 0.000 0.314 426 V C -0.906 175.288 176.094 0.167 0.000 1.064 426 V CA -0.665 61.733 62.300 0.164 0.000 0.952 426 V CB 1.781 33.773 31.823 0.282 0.000 1.020 426 V HN 0.770 nan 8.190 nan 0.000 0.439 427 V N 4.367 124.372 119.914 0.152 0.000 2.513 427 V HA 0.521 4.635 4.120 -0.010 0.000 0.299 427 V C -0.190 176.010 176.094 0.176 0.000 1.035 427 V CA -0.520 61.842 62.300 0.103 0.000 0.889 427 V CB 1.512 33.267 31.823 -0.114 0.000 0.988 427 V HN 0.816 nan 8.190 nan 0.000 0.440 428 L N 4.195 125.517 121.223 0.164 0.000 2.298 428 L HA 0.742 5.076 4.340 -0.010 0.000 0.284 428 L C -0.819 176.142 176.870 0.152 0.000 1.013 428 L CA -0.146 54.791 54.840 0.163 0.000 0.824 428 L CB 1.467 43.593 42.059 0.112 0.000 1.221 428 L HN 0.619 nan 8.230 nan 0.000 0.418 429 D N 0.114 120.603 120.400 0.149 0.000 2.609 429 D HA 0.295 4.929 4.640 -0.010 0.000 0.239 429 D C -1.018 175.316 176.300 0.058 0.000 1.229 429 D CA -0.381 53.728 54.000 0.182 0.000 0.808 429 D CB 1.810 42.786 40.800 0.293 0.000 1.448 429 D HN 0.559 nan 8.370 nan 0.000 0.433 430 H N 1.447 120.440 119.070 -0.129 0.000 3.038 430 H HA 0.220 4.771 4.556 -0.010 0.000 0.223 430 H C -1.488 173.706 175.328 -0.224 0.000 1.400 430 H CA -0.427 55.335 56.048 -0.477 0.000 1.153 430 H CB 0.506 30.038 29.762 -0.382 0.000 2.234 430 H HN 0.130 nan 8.280 nan 0.000 0.541 431 D N 1.960 122.387 120.400 0.044 0.000 2.542 431 D HA 0.143 4.777 4.640 -0.010 0.000 0.252 431 D C -1.769 174.588 176.300 0.096 0.000 1.222 431 D CA -2.035 51.899 54.000 -0.109 0.000 0.895 431 D CB 2.537 42.991 40.800 -0.576 0.000 1.207 431 D HN 0.207 nan 8.370 nan 0.000 0.558 432 P HA -0.107 nan 4.420 nan 0.000 0.219 432 P C 0.638 177.965 177.300 0.045 0.000 1.146 432 P CA 0.686 63.862 63.100 0.127 0.000 0.808 432 P CB 0.677 32.429 31.700 0.087 0.000 0.779 433 D N -0.618 119.763 120.400 -0.033 0.000 2.221 433 D HA -0.159 4.475 4.640 -0.010 0.000 0.204 433 D C 1.650 178.020 176.300 0.117 0.000 0.982 433 D CA 1.164 55.157 54.000 -0.011 0.000 0.857 433 D CB -0.815 39.939 40.800 -0.077 0.000 0.934 433 D HN 0.498 nan 8.370 nan 0.000 0.475 434 H N -0.756 118.392 119.070 0.130 0.000 2.548 434 H HA 0.207 4.756 4.556 -0.011 0.000 0.265 434 H C 1.971 177.382 175.328 0.138 0.000 0.969 434 H CA -0.510 55.631 56.048 0.154 0.000 1.155 434 H CB 0.545 30.433 29.762 0.209 0.000 1.394 434 H HN 0.062 nan 8.280 nan 0.000 0.570 435 I N 1.022 121.712 120.570 0.201 0.000 2.118 435 I HA -0.307 3.857 4.170 -0.010 0.000 0.241 435 I C 2.564 178.740 176.117 0.098 0.000 1.070 435 I CA 1.282 62.646 61.300 0.108 0.000 1.327 435 I CB -0.040 37.970 38.000 0.016 0.000 1.034 435 I HN 0.285 nan 8.210 nan 0.000 0.405 436 E N 0.526 120.784 120.200 0.097 0.000 2.049 436 E HA -0.209 4.135 4.350 -0.010 0.000 0.198 436 E C 2.248 178.919 176.600 0.118 0.000 1.007 436 E CA 2.100 58.553 56.400 0.089 0.000 0.809 436 E CB -0.548 29.198 29.700 0.077 0.000 0.749 436 E HN 0.455 nan 8.360 nan 0.000 0.450 437 T N 1.702 116.349 114.554 0.155 0.000 2.665 437 T HA -0.162 4.182 4.350 -0.010 0.000 0.268 437 T C 2.145 176.975 174.700 0.216 0.000 1.035 437 T CA 1.302 63.514 62.100 0.188 0.000 1.151 437 T CB -0.316 68.676 68.868 0.207 0.000 0.862 437 T HN 0.110 nan 8.240 nan 0.000 0.438 438 L N 0.192 121.516 121.223 0.169 0.000 2.046 438 L HA -0.064 4.270 4.340 -0.010 0.000 0.208 438 L C 2.898 179.829 176.870 0.101 0.000 1.077 438 L CA 1.275 56.161 54.840 0.078 0.000 0.747 438 L CB -0.447 41.628 42.059 0.026 0.000 0.896 438 L HN 0.157 nan 8.230 nan 0.000 0.432 439 R N 0.515 121.063 120.500 0.081 0.000 2.094 439 R HA -0.250 4.084 4.340 -0.010 0.000 0.239 439 R C 2.344 178.688 176.300 0.074 0.000 1.137 439 R CA 1.991 58.123 56.100 0.054 0.000 0.943 439 R CB -0.083 30.240 30.300 0.039 0.000 0.850 439 R HN 0.187 nan 8.270 nan 0.000 0.433 440 K N -0.710 119.756 120.400 0.111 0.000 2.057 440 K HA -0.161 4.153 4.320 -0.010 0.000 0.207 440 K C 1.861 178.559 176.600 0.163 0.000 1.049 440 K CA 1.516 57.874 56.287 0.119 0.000 0.931 440 K CB -0.285 32.294 32.500 0.131 0.000 0.714 440 K HN 0.105 nan 8.250 nan 0.000 0.440 441 F N 0.736 120.712 119.950 0.042 0.000 2.161 441 F HA -0.109 4.418 4.527 -0.001 0.000 0.300 441 F C 1.414 177.212 175.800 -0.003 0.000 1.089 441 F CA 1.832 59.858 58.000 0.044 0.000 1.282 441 F CB -0.336 38.683 39.000 0.031 0.000 1.010 441 F HN 0.276 nan 8.300 nan 0.000 0.485 442 G N -0.187 108.598 108.800 -0.024 0.000 2.143 442 G HA2 -0.271 3.682 3.960 -0.010 0.000 0.248 442 G HA3 -0.271 3.682 3.960 -0.010 0.000 0.248 442 G C 0.291 175.089 174.900 -0.170 0.000 0.991 442 G CA 0.457 45.491 45.100 -0.110 0.000 0.689 442 G HN 0.230 nan 8.290 nan 0.000 0.522 443 M N -0.179 119.316 119.600 -0.175 0.000 2.471 443 M HA 0.469 4.943 4.480 -0.010 0.000 0.309 443 M C 0.718 176.978 176.300 -0.066 0.000 1.186 443 M CA -1.565 53.658 55.300 -0.127 0.000 1.008 443 M CB 1.124 33.670 32.600 -0.090 0.000 1.551 443 M HN 0.189 nan 8.290 nan 0.000 0.477 444 K N 0.952 121.320 120.400 -0.055 0.000 2.412 444 K HA 0.336 4.650 4.320 -0.010 0.000 0.281 444 K C -1.318 175.209 176.600 -0.121 0.000 1.027 444 K CA -0.084 56.139 56.287 -0.107 0.000 0.989 444 K CB 0.468 32.925 32.500 -0.072 0.000 0.935 444 K HN 0.445 nan 8.250 nan 0.000 0.475 445 V N 5.608 125.372 119.914 -0.249 0.000 2.513 445 V HA 0.377 4.491 4.120 -0.010 0.000 0.299 445 V C -0.857 174.991 176.094 -0.409 0.000 1.035 445 V CA -0.752 61.444 62.300 -0.173 0.000 0.889 445 V CB 1.178 32.962 31.823 -0.066 0.000 0.988 445 V HN 0.571 nan 8.190 nan 0.000 0.440 446 F N 4.123 124.106 119.950 0.056 0.000 2.347 446 F HA 0.404 4.924 4.527 -0.012 0.000 0.366 446 F C -0.377 175.474 175.800 0.085 0.000 1.107 446 F CA -0.553 57.481 58.000 0.058 0.000 1.058 446 F CB 0.972 39.983 39.000 0.018 0.000 1.236 446 F HN 0.502 nan 8.300 nan 0.000 0.456 447 Y N 3.196 123.531 120.300 0.060 0.000 2.454 447 Y HA 0.670 5.214 4.550 -0.011 0.000 0.345 447 Y C 0.179 176.026 175.900 -0.089 0.000 0.970 447 Y CA -0.208 57.905 58.100 0.021 0.000 1.204 447 Y CB 0.405 38.874 38.460 0.015 0.000 1.122 447 Y HN 0.697 nan 8.280 nan 0.000 0.514 448 G N 3.925 112.405 108.800 -0.533 0.000 2.324 448 G HA2 0.029 3.983 3.960 -0.010 0.000 0.293 448 G HA3 0.029 3.983 3.960 -0.010 0.000 0.293 448 G C -1.961 172.678 174.900 -0.434 0.000 1.297 448 G CA -1.165 43.488 45.100 -0.746 0.000 0.853 448 G HN 0.290 nan 8.290 nan 0.000 0.535 449 D N 1.002 121.222 120.400 -0.300 0.000 2.371 449 D HA 0.461 5.095 4.640 -0.010 0.000 0.256 449 D C 1.435 177.714 176.300 -0.035 0.000 1.193 449 D CA 0.637 54.592 54.000 -0.074 0.000 0.881 449 D CB 1.532 42.324 40.800 -0.014 0.000 1.143 449 D HN 0.711 nan 8.370 nan 0.000 0.473 450 A N 2.500 125.322 122.820 0.003 0.000 2.125 450 A HA -0.159 4.155 4.320 -0.010 0.000 0.219 450 A C 1.936 179.535 177.584 0.024 0.000 1.156 450 A CA 1.611 53.659 52.037 0.019 0.000 0.671 450 A CB -0.543 18.482 19.000 0.042 0.000 0.794 450 A HN 0.609 nan 8.150 nan 0.000 0.459 451 T N -2.262 112.306 114.554 0.024 0.000 3.118 451 T HA 0.064 4.408 4.350 -0.010 0.000 0.260 451 T C 0.857 175.568 174.700 0.018 0.000 1.139 451 T CA -0.114 62.005 62.100 0.031 0.000 1.085 451 T CB -0.316 68.569 68.868 0.028 0.000 0.934 451 T HN 0.415 nan 8.240 nan 0.000 0.518 452 R N 0.994 121.495 120.500 0.001 0.000 2.351 452 R HA 0.255 4.588 4.340 -0.010 0.000 0.318 452 R C 1.200 177.495 176.300 -0.008 0.000 1.055 452 R CA -0.342 55.752 56.100 -0.011 0.000 0.968 452 R CB 0.544 30.831 30.300 -0.023 0.000 0.974 452 R HN 0.184 nan 8.270 nan 0.000 0.439 453 M N 3.570 123.155 119.600 -0.025 0.000 2.089 453 M HA -0.270 4.204 4.480 -0.010 0.000 0.257 453 M C 1.632 177.927 176.300 -0.008 0.000 1.071 453 M CA 2.227 57.506 55.300 -0.034 0.000 1.096 453 M CB -0.309 32.200 32.600 -0.152 0.000 1.330 453 M HN 0.668 nan 8.290 nan 0.000 0.403 454 D N -0.292 120.093 120.400 -0.025 0.000 2.116 454 D HA -0.242 4.392 4.640 -0.010 0.000 0.193 454 D C 2.022 178.294 176.300 -0.046 0.000 0.998 454 D CA 1.992 55.978 54.000 -0.022 0.000 0.836 454 D CB -1.056 39.738 40.800 -0.011 0.000 0.951 454 D HN 0.533 nan 8.370 nan 0.000 0.449 455 L N -0.307 120.887 121.223 -0.049 0.000 2.056 455 L HA -0.068 4.266 4.340 -0.010 0.000 0.207 455 L C 2.914 179.646 176.870 -0.229 0.000 1.078 455 L CA 0.538 55.319 54.840 -0.098 0.000 0.749 455 L CB -0.333 41.711 42.059 -0.025 0.000 0.901 455 L HN 0.057 nan 8.230 nan 0.000 0.433 456 L N -0.384 120.760 121.223 -0.133 0.000 2.012 456 L HA -0.264 4.070 4.340 -0.010 0.000 0.210 456 L C 2.576 179.277 176.870 -0.281 0.000 1.073 456 L CA 1.547 56.280 54.840 -0.179 0.000 0.748 456 L CB -0.406 41.662 42.059 0.015 0.000 0.891 456 L HN 0.303 nan 8.230 nan 0.000 0.431 457 E N -0.455 119.673 120.200 -0.120 0.000 2.047 457 E HA -0.190 4.154 4.350 -0.010 0.000 0.191 457 E C 2.287 178.769 176.600 -0.196 0.000 0.987 457 E CA 1.519 57.863 56.400 -0.093 0.000 0.799 457 E CB -0.074 29.655 29.700 0.048 0.000 0.752 457 E HN 0.526 nan 8.360 nan 0.000 0.449 458 S N 0.947 116.504 115.700 -0.238 0.000 2.419 458 S HA -0.065 4.399 4.470 -0.010 0.000 0.233 458 S C 2.137 176.323 174.600 -0.691 0.000 1.016 458 S CA 0.860 58.882 58.200 -0.297 0.000 0.974 458 S CB -0.083 63.035 63.200 -0.137 0.000 0.786 458 S HN 0.252 nan 8.310 nan 0.000 0.492 459 A N 1.039 123.258 122.820 -1.001 0.000 2.168 459 A HA 0.472 4.786 4.320 -0.010 0.000 0.215 459 A C 1.779 179.113 177.584 -0.417 0.000 1.152 459 A CA 0.808 52.222 52.037 -1.038 0.000 0.716 459 A CB -1.190 17.348 19.000 -0.771 0.000 0.794 459 A HN 1.652 nan 8.150 nan 0.000 0.465 460 G N -2.439 106.161 108.800 -0.334 0.000 2.131 460 G HA2 0.055 4.009 3.960 -0.010 0.000 0.201 460 G HA3 0.055 4.009 3.960 -0.010 0.000 0.201 460 G C 0.988 175.725 174.900 -0.272 0.000 1.000 460 G CA 0.799 45.771 45.100 -0.213 0.000 0.680 460 G HN 1.294 nan 8.290 nan 0.000 0.514 461 A N 0.122 122.656 122.820 -0.477 0.000 1.940 461 A HA 0.317 4.631 4.320 -0.010 0.000 0.219 461 A C 2.761 179.967 177.584 -0.630 0.000 1.176 461 A CA 2.526 54.097 52.037 -0.776 0.000 0.631 461 A CB -0.642 17.420 19.000 -1.563 0.000 0.814 461 A HN 1.874 nan 8.150 nan 0.000 0.446 462 A N -1.000 121.613 122.820 -0.345 0.000 2.121 462 A HA -0.065 4.249 4.320 -0.010 0.000 0.218 462 A C 2.002 179.623 177.584 0.061 0.000 1.154 462 A CA 1.646 53.734 52.037 0.084 0.000 0.679 462 A CB -0.200 18.920 19.000 0.200 0.000 0.795 462 A HN 0.552 nan 8.150 nan 0.000 0.458 463 K N -1.160 119.226 120.400 -0.024 0.000 2.391 463 K HA 0.353 4.667 4.320 -0.010 0.000 0.197 463 K C 0.683 177.272 176.600 -0.018 0.000 1.087 463 K CA 0.370 56.653 56.287 -0.007 0.000 1.012 463 K CB 0.438 32.930 32.500 -0.014 0.000 0.925 463 K HN 0.357 nan 8.250 nan 0.000 0.547 464 A N 1.748 124.536 122.820 -0.053 0.000 2.425 464 A HA 0.010 4.323 4.320 -0.010 0.000 0.242 464 A C 0.686 178.270 177.584 0.000 0.000 1.077 464 A CA 0.090 52.104 52.037 -0.037 0.000 0.781 464 A CB 0.356 19.312 19.000 -0.072 0.000 1.020 464 A HN 0.217 nan 8.150 nan 0.000 0.494 465 E N 0.100 120.308 120.200 0.013 0.000 2.102 465 E HA 0.104 4.448 4.350 -0.010 0.000 0.190 465 E C -0.467 176.157 176.600 0.039 0.000 0.971 465 E CA 0.776 57.195 56.400 0.032 0.000 0.821 465 E CB 0.262 29.980 29.700 0.030 0.000 0.777 465 E HN 0.420 nan 8.360 nan 0.000 0.460 466 V N 1.761 121.696 119.914 0.034 0.000 2.638 466 V HA 0.259 4.373 4.120 -0.010 0.000 0.306 466 V C -1.047 175.069 176.094 0.037 0.000 1.052 466 V CA -0.802 61.524 62.300 0.043 0.000 0.885 466 V CB 2.014 33.870 31.823 0.055 0.000 0.999 466 V HN 0.075 nan 8.190 nan 0.000 0.424 467 L N 6.326 127.572 121.223 0.038 0.000 2.287 467 L HA 0.646 4.980 4.340 -0.010 0.000 0.287 467 L C -0.561 176.346 176.870 0.062 0.000 1.022 467 L CA 0.186 55.050 54.840 0.041 0.000 0.814 467 L CB 1.055 43.130 42.059 0.028 0.000 1.217 467 L HN 0.567 nan 8.230 nan 0.000 0.420 468 I N 5.113 125.734 120.570 0.084 0.000 2.297 468 I HA 0.233 4.397 4.170 -0.010 0.000 0.291 468 I C -0.011 176.166 176.117 0.101 0.000 1.033 468 I CA -0.346 61.017 61.300 0.106 0.000 1.253 468 I CB 0.808 38.894 38.000 0.142 0.000 1.396 468 I HN 0.604 nan 8.210 nan 0.000 0.476 469 N N 6.264 125.007 118.700 0.072 0.000 2.719 469 N HA 0.249 4.983 4.740 -0.010 0.000 0.243 469 N C 0.288 175.808 175.510 0.016 0.000 1.104 469 N CA -0.109 52.970 53.050 0.048 0.000 0.981 469 N CB 1.145 39.650 38.487 0.028 0.000 1.290 469 N HN 0.689 nan 8.380 nan 0.000 0.513 470 A N 4.385 127.235 122.820 0.051 0.000 2.462 470 A HA 0.270 4.584 4.320 -0.010 0.000 0.261 470 A C 0.734 178.301 177.584 -0.029 0.000 1.323 470 A CA -0.406 51.633 52.037 0.004 0.000 0.913 470 A CB -0.383 18.735 19.000 0.198 0.000 1.028 470 A HN 0.630 nan 8.150 nan 0.000 0.511 471 I N 0.541 121.107 120.570 -0.007 0.000 2.533 471 I HA -0.014 4.150 4.170 -0.010 0.000 0.284 471 I C 1.406 177.516 176.117 -0.012 0.000 1.109 471 I CA -0.188 61.123 61.300 0.017 0.000 1.412 471 I CB 0.954 38.977 38.000 0.038 0.000 1.396 471 I HN 0.328 nan 8.210 nan 0.000 0.543 472 D N 4.608 125.008 120.400 -0.001 0.000 2.084 472 D HA -0.193 4.441 4.640 -0.010 0.000 0.196 472 D C 0.704 176.994 176.300 -0.016 0.000 0.985 472 D CA 1.179 55.174 54.000 -0.009 0.000 0.826 472 D CB -0.014 40.797 40.800 0.019 0.000 0.978 472 D HN 0.586 nan 8.370 nan 0.000 0.456 473 D N -0.420 119.967 120.400 -0.022 0.000 2.412 473 D HA 0.030 4.664 4.640 -0.010 0.000 0.257 473 D C -1.764 174.458 176.300 -0.131 0.000 1.217 473 D CA -1.228 52.736 54.000 -0.059 0.000 0.897 473 D CB 1.455 42.232 40.800 -0.038 0.000 1.132 473 D HN 0.005 nan 8.370 nan 0.000 0.493 474 P HA -0.195 nan 4.420 nan 0.000 0.216 474 P C 1.128 178.222 177.300 -0.343 0.000 1.153 474 P CA 1.071 63.778 63.100 -0.655 0.000 0.858 474 P CB 0.195 31.466 31.700 -0.715 0.000 0.789 475 Q N -0.753 118.937 119.800 -0.184 0.000 2.050 475 Q HA -0.121 4.213 4.340 -0.010 0.000 0.202 475 Q C 1.977 177.947 176.000 -0.050 0.000 0.980 475 Q CA 2.343 58.090 55.803 -0.094 0.000 0.840 475 Q CB -1.253 27.447 28.738 -0.063 0.000 0.898 475 Q HN 0.139 nan 8.270 nan 0.000 0.424 476 T N 0.857 115.386 114.554 -0.041 0.000 2.777 476 T HA -0.124 4.220 4.350 -0.010 0.000 0.266 476 T C 1.492 176.200 174.700 0.013 0.000 1.040 476 T CA 1.130 63.227 62.100 -0.006 0.000 1.141 476 T CB -0.453 68.416 68.868 0.001 0.000 0.868 476 T HN 0.392 nan 8.240 nan 0.000 0.444 477 N N 1.448 120.154 118.700 0.010 0.000 2.069 477 N HA -0.080 4.653 4.740 -0.010 0.000 0.191 477 N C 1.870 177.436 175.510 0.093 0.000 1.031 477 N CA 1.337 54.428 53.050 0.067 0.000 0.852 477 N CB -0.410 38.159 38.487 0.137 0.000 1.018 477 N HN 0.360 nan 8.380 nan 0.000 0.423 478 L N 0.821 122.093 121.223 0.082 0.000 2.056 478 L HA -0.113 4.221 4.340 -0.010 0.000 0.207 478 L C 2.851 179.746 176.870 0.043 0.000 1.078 478 L CA 1.059 55.944 54.840 0.076 0.000 0.749 478 L CB -0.510 41.583 42.059 0.056 0.000 0.901 478 L HN 0.311 nan 8.230 nan 0.000 0.433 479 Q N 0.066 119.884 119.800 0.029 0.000 2.096 479 Q HA -0.276 4.058 4.340 -0.010 0.000 0.204 479 Q C 2.285 178.312 176.000 0.045 0.000 0.982 479 Q CA 1.827 57.648 55.803 0.030 0.000 0.850 479 Q CB -0.140 28.610 28.738 0.021 0.000 0.901 479 Q HN 0.372 nan 8.270 nan 0.000 0.422 480 L N 0.517 121.770 121.223 0.050 0.000 2.042 480 L HA -0.165 4.169 4.340 -0.010 0.000 0.210 480 L C 2.149 179.062 176.870 0.072 0.000 1.076 480 L CA 2.290 57.169 54.840 0.065 0.000 0.749 480 L CB -0.961 41.134 42.059 0.060 0.000 0.893 480 L HN 0.199 nan 8.230 nan 0.000 0.432 481 T N -0.495 114.094 114.554 0.057 0.000 2.684 481 T HA -0.212 4.132 4.350 -0.010 0.000 0.267 481 T C 1.711 176.436 174.700 0.042 0.000 1.036 481 T CA 1.888 64.016 62.100 0.046 0.000 1.148 481 T CB -0.240 68.646 68.868 0.030 0.000 0.863 481 T HN 0.466 nan 8.240 nan 0.000 0.436 482 E N 0.448 120.668 120.200 0.033 0.000 2.077 482 E HA -0.076 4.268 4.350 -0.010 0.000 0.193 482 E C 2.175 178.790 176.600 0.024 0.000 0.989 482 E CA 0.958 57.367 56.400 0.015 0.000 0.800 482 E CB -0.215 29.491 29.700 0.009 0.000 0.746 482 E HN 0.400 nan 8.360 nan 0.000 0.452 483 M N 0.242 119.884 119.600 0.071 0.000 2.086 483 M HA -0.183 4.291 4.480 -0.010 0.000 0.261 483 M C 2.165 178.572 176.300 0.177 0.000 1.067 483 M CA 1.282 56.668 55.300 0.145 0.000 1.116 483 M CB 0.111 32.807 32.600 0.159 0.000 1.348 483 M HN 0.008 nan 8.290 nan 0.000 0.407 484 V N 0.400 120.426 119.914 0.187 0.000 2.358 484 V HA -0.267 3.847 4.120 -0.010 0.000 0.246 484 V C 2.379 178.561 176.094 0.146 0.000 1.047 484 V CA 1.506 63.974 62.300 0.279 0.000 1.035 484 V CB -0.775 31.180 31.823 0.221 0.000 0.658 484 V HN 0.394 nan 8.190 nan 0.000 0.452 485 K N -0.006 120.427 120.400 0.054 0.000 2.063 485 K HA -0.226 4.088 4.320 -0.010 0.000 0.208 485 K C 2.156 178.706 176.600 -0.083 0.000 1.048 485 K CA 1.727 58.009 56.287 -0.009 0.000 0.928 485 K CB -0.311 32.175 32.500 -0.023 0.000 0.713 485 K HN 0.608 nan 8.250 nan 0.000 0.442 486 E N -0.134 119.980 120.200 -0.143 0.000 2.072 486 E HA -0.164 4.180 4.350 -0.010 0.000 0.190 486 E C 1.400 177.714 176.600 -0.477 0.000 0.982 486 E CA 1.135 57.342 56.400 -0.321 0.000 0.803 486 E CB 0.092 29.541 29.700 -0.418 0.000 0.755 486 E HN 0.467 nan 8.360 nan 0.000 0.453 487 H N -2.271 116.606 119.070 -0.321 0.000 2.582 487 H HA 0.172 4.722 4.556 -0.010 0.000 0.269 487 H C -0.249 174.605 175.328 -0.790 0.000 0.962 487 H CA 0.323 55.978 56.048 -0.655 0.000 1.230 487 H CB 0.548 29.705 29.762 -1.008 0.000 1.445 487 H HN -0.001 nan 8.280 nan 0.000 0.528 488 F N 1.109 121.084 119.950 0.040 0.000 2.710 488 F HA 0.246 4.769 4.527 -0.007 0.000 0.345 488 F C -1.867 173.897 175.800 -0.060 0.000 1.362 488 F CA -1.858 56.148 58.000 0.010 0.000 1.175 488 F CB 1.615 40.637 39.000 0.036 0.000 1.561 488 F HN -0.006 nan 8.300 nan 0.000 0.593 489 P HA -0.188 nan 4.420 nan 0.000 0.223 489 P C 0.777 177.933 177.300 -0.239 0.000 1.144 489 P CA 1.615 64.588 63.100 -0.210 0.000 0.783 489 P CB 0.121 31.601 31.700 -0.367 0.000 0.771 490 H N -1.534 117.588 119.070 0.087 0.000 2.586 490 H HA 0.190 4.740 4.556 -0.010 0.000 0.273 490 H C 0.658 176.022 175.328 0.060 0.000 0.997 490 H CA -0.522 55.562 56.048 0.061 0.000 1.177 490 H CB 0.187 29.981 29.762 0.053 0.000 1.471 490 H HN 0.110 nan 8.280 nan 0.000 0.538 491 L N 2.854 124.172 121.223 0.158 0.000 2.278 491 L HA 0.166 4.500 4.340 -0.010 0.000 0.287 491 L C 0.085 177.004 176.870 0.081 0.000 1.072 491 L CA -0.304 54.601 54.840 0.109 0.000 0.819 491 L CB 0.865 42.982 42.059 0.097 0.000 1.176 491 L HN 0.021 nan 8.230 nan 0.000 0.435 492 Q N 5.459 125.299 119.800 0.067 0.000 2.296 492 Q HA 0.358 4.692 4.340 -0.010 0.000 0.262 492 Q C -0.736 175.292 176.000 0.046 0.000 0.981 492 Q CA 0.106 55.940 55.803 0.053 0.000 0.905 492 Q CB 1.243 30.011 28.738 0.051 0.000 1.186 492 Q HN 0.602 nan 8.270 nan 0.000 0.399 493 I N 4.204 124.796 120.570 0.036 0.000 2.325 493 I HA 0.246 4.410 4.170 -0.010 0.000 0.291 493 I C -0.282 175.848 176.117 0.022 0.000 1.019 493 I CA -0.301 61.017 61.300 0.030 0.000 1.302 493 I CB 0.646 38.659 38.000 0.022 0.000 1.401 493 I HN 0.439 nan 8.210 nan 0.000 0.485 494 I N 6.388 126.980 120.570 0.036 0.000 2.355 494 I HA 0.535 4.699 4.170 -0.010 0.000 0.288 494 I C 0.136 176.275 176.117 0.036 0.000 0.999 494 I CA -0.181 61.143 61.300 0.041 0.000 1.163 494 I CB 1.462 39.503 38.000 0.069 0.000 1.316 494 I HN 0.613 nan 8.210 nan 0.000 0.454 495 A N 6.819 129.637 122.820 -0.004 0.000 2.350 495 A HA 0.662 4.975 4.320 -0.010 0.000 0.324 495 A C -0.334 177.195 177.584 -0.091 0.000 1.118 495 A CA -0.739 51.268 52.037 -0.050 0.000 0.783 495 A CB 1.281 20.224 19.000 -0.095 0.000 1.236 495 A HN 0.765 nan 8.150 nan 0.000 0.457 496 R N 1.480 121.866 120.500 -0.191 0.000 2.441 496 R HA 0.578 4.912 4.340 -0.010 0.000 0.284 496 R C -0.371 175.742 176.300 -0.312 0.000 1.070 496 R CA 0.206 56.077 56.100 -0.382 0.000 1.047 496 R CB 0.784 30.582 30.300 -0.838 0.000 1.016 496 R HN 0.858 nan 8.270 nan 0.000 0.477 497 A N 3.896 126.557 122.820 -0.265 0.000 2.365 497 A HA 0.301 4.615 4.320 -0.010 0.000 0.318 497 A C 0.573 178.167 177.584 0.016 0.000 1.091 497 A CA -0.807 51.032 52.037 -0.330 0.000 0.763 497 A CB 1.608 20.457 19.000 -0.252 0.000 1.248 497 A HN 1.045 nan 8.150 nan 0.000 0.442 498 R N 0.210 120.900 120.500 0.316 0.000 2.073 498 R HA -0.028 4.306 4.340 -0.010 0.000 0.229 498 R C -0.205 176.177 176.300 0.137 0.000 1.120 498 R CA 2.187 58.399 56.100 0.188 0.000 0.967 498 R CB 0.075 30.474 30.300 0.165 0.000 0.862 498 R HN 0.944 nan 8.270 nan 0.000 0.436 499 D N -3.641 116.852 120.400 0.156 0.000 2.838 499 D HA 0.020 4.654 4.640 -0.010 0.000 0.334 499 D C 0.554 176.918 176.300 0.106 0.000 1.315 499 D CA -0.659 53.408 54.000 0.111 0.000 0.917 499 D CB 0.656 41.513 40.800 0.095 0.000 1.435 499 D HN -0.231 nan 8.370 nan 0.000 0.517 500 V N 0.308 120.256 119.914 0.056 0.000 2.358 500 V HA -0.161 3.952 4.120 -0.010 0.000 0.246 500 V C 1.420 177.576 176.094 0.103 0.000 1.047 500 V CA 2.198 64.510 62.300 0.021 0.000 1.035 500 V CB -0.709 31.090 31.823 -0.041 0.000 0.658 500 V HN 0.535 nan 8.190 nan 0.000 0.452 501 D N -1.000 119.458 120.400 0.098 0.000 2.123 501 D HA -0.208 4.426 4.640 -0.010 0.000 0.196 501 D C 2.016 178.412 176.300 0.160 0.000 0.992 501 D CA 1.795 55.857 54.000 0.103 0.000 0.833 501 D CB -0.366 40.477 40.800 0.072 0.000 0.954 501 D HN 0.633 nan 8.370 nan 0.000 0.455 502 H N -1.125 117.977 119.070 0.054 0.000 2.326 502 H HA -0.192 4.358 4.556 -0.011 0.000 0.301 502 H C 2.199 177.560 175.328 0.056 0.000 1.081 502 H CA 1.100 57.171 56.048 0.038 0.000 1.334 502 H CB -0.067 29.708 29.762 0.023 0.000 1.385 502 H HN 0.105 nan 8.280 nan 0.000 0.504 503 Y N 1.471 121.721 120.300 -0.084 0.000 2.102 503 Y HA -0.293 4.251 4.550 -0.010 0.000 0.280 503 Y C 2.362 178.211 175.900 -0.085 0.000 1.178 503 Y CA 2.061 60.076 58.100 -0.142 0.000 1.146 503 Y CB -0.572 37.814 38.460 -0.124 0.000 0.968 503 Y HN 0.208 nan 8.280 nan 0.000 0.504 504 I N -0.162 120.527 120.570 0.198 0.000 2.179 504 I HA -0.323 3.841 4.170 -0.010 0.000 0.242 504 I C 2.527 178.642 176.117 -0.003 0.000 1.088 504 I CA 1.608 62.972 61.300 0.106 0.000 1.357 504 I CB -0.429 37.640 38.000 0.115 0.000 1.051 504 I HN 0.171 nan 8.210 nan 0.000 0.409 505 R N 0.531 121.050 120.500 0.032 0.000 2.096 505 R HA -0.125 4.209 4.340 -0.010 0.000 0.235 505 R C 2.321 178.608 176.300 -0.022 0.000 1.127 505 R CA 1.205 57.321 56.100 0.026 0.000 0.968 505 R CB -0.366 29.986 30.300 0.086 0.000 0.861 505 R HN 0.331 nan 8.270 nan 0.000 0.440 506 L N 0.250 121.425 121.223 -0.079 0.000 2.017 506 L HA -0.193 4.141 4.340 -0.010 0.000 0.208 506 L C 2.633 179.390 176.870 -0.188 0.000 1.073 506 L CA 1.200 55.948 54.840 -0.154 0.000 0.745 506 L CB -0.392 41.503 42.059 -0.273 0.000 0.894 506 L HN 0.110 nan 8.230 nan 0.000 0.432 507 R N 0.294 120.627 120.500 -0.278 0.000 2.096 507 R HA -0.205 4.129 4.340 -0.010 0.000 0.240 507 R C 2.150 178.375 176.300 -0.125 0.000 1.139 507 R CA 1.564 57.518 56.100 -0.243 0.000 0.952 507 R CB -0.826 29.310 30.300 -0.274 0.000 0.854 507 R HN 0.554 nan 8.270 nan 0.000 0.436 508 Q N -0.371 119.377 119.800 -0.087 0.000 2.291 508 Q HA 0.002 4.336 4.340 -0.010 0.000 0.206 508 Q C 1.680 177.653 176.000 -0.046 0.000 0.976 508 Q CA 1.300 57.072 55.803 -0.051 0.000 0.875 508 Q CB 0.006 28.727 28.738 -0.029 0.000 0.927 508 Q HN 0.330 nan 8.270 nan 0.000 0.450 509 A N -0.098 122.690 122.820 -0.052 0.000 2.238 509 A HA 0.315 4.629 4.320 -0.010 0.000 0.208 509 A C 1.417 178.971 177.584 -0.049 0.000 1.177 509 A CA 0.726 52.738 52.037 -0.042 0.000 0.804 509 A CB -0.121 18.861 19.000 -0.030 0.000 0.823 509 A HN 0.427 nan 8.150 nan 0.000 0.482 510 G N -1.572 107.190 108.800 -0.064 0.000 2.141 510 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.231 510 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.231 510 G C 0.071 174.932 174.900 -0.065 0.000 0.984 510 G CA -0.012 45.053 45.100 -0.058 0.000 0.660 510 G HN 0.711 nan 8.290 nan 0.000 0.525 511 V N 0.973 120.831 119.914 -0.093 0.000 2.470 511 V HA 0.226 4.340 4.120 -0.010 0.000 0.276 511 V C 1.641 177.659 176.094 -0.126 0.000 1.040 511 V CA 0.688 62.927 62.300 -0.101 0.000 1.008 511 V CB 1.280 33.028 31.823 -0.126 0.000 0.990 511 V HN 0.514 nan 8.190 nan 0.000 0.477 512 E N 3.202 123.352 120.200 -0.083 0.000 2.017 512 E HA -0.106 4.238 4.350 -0.010 0.000 0.193 512 E C 0.424 176.966 176.600 -0.096 0.000 0.997 512 E CA 1.209 57.565 56.400 -0.073 0.000 0.804 512 E CB 0.107 29.787 29.700 -0.032 0.000 0.757 512 E HN 0.559 nan 8.360 nan 0.000 0.448 513 K N 1.038 121.392 120.400 -0.076 0.000 2.753 513 K HA 0.274 4.588 4.320 -0.010 0.000 0.185 513 K C -2.685 173.886 176.600 -0.049 0.000 1.071 513 K CA -1.437 54.822 56.287 -0.048 0.000 0.999 513 K CB 1.833 34.342 32.500 0.015 0.000 1.244 513 K HN -0.012 nan 8.250 nan 0.000 0.594 514 P HA -0.001 nan 4.420 nan 0.000 0.268 514 P C -0.645 176.686 177.300 0.050 0.000 1.205 514 P CA -0.241 62.771 63.100 -0.147 0.000 0.771 514 P CB 0.672 32.137 31.700 -0.391 0.000 0.858 515 E N 2.718 122.954 120.200 0.061 0.000 2.055 515 E HA 0.168 4.512 4.350 -0.010 0.000 0.274 515 E C -0.490 176.190 176.600 0.135 0.000 0.949 515 E CA -0.510 55.978 56.400 0.148 0.000 0.775 515 E CB 0.128 29.973 29.700 0.242 0.000 1.097 515 E HN 0.153 nan 8.360 nan 0.000 0.404 516 R N 3.361 123.940 120.500 0.131 0.000 2.458 516 R HA -0.017 4.317 4.340 -0.010 0.000 0.303 516 R C 1.333 177.759 176.300 0.210 0.000 1.013 516 R CA 0.472 56.644 56.100 0.120 0.000 1.026 516 R CB 0.391 30.720 30.300 0.049 0.000 0.948 516 R HN 0.720 nan 8.270 nan 0.000 0.417 517 E N 1.713 122.014 120.200 0.170 0.000 2.118 517 E HA -0.228 4.116 4.350 -0.010 0.000 0.195 517 E C 0.902 177.670 176.600 0.279 0.000 0.992 517 E CA 1.885 58.446 56.400 0.270 0.000 0.804 517 E CB -0.029 29.753 29.700 0.137 0.000 0.741 517 E HN 0.669 nan 8.360 nan 0.000 0.458 518 T N -2.832 111.851 114.554 0.215 0.000 3.086 518 T HA 0.075 4.419 4.350 -0.010 0.000 0.250 518 T C 1.363 176.176 174.700 0.189 0.000 1.074 518 T CA -0.247 61.958 62.100 0.174 0.000 0.988 518 T CB -0.391 68.553 68.868 0.126 0.000 0.988 518 T HN 0.254 nan 8.240 nan 0.000 0.530 519 F N 2.791 122.799 119.950 0.096 0.000 2.046 519 F HA -0.109 4.411 4.527 -0.011 0.000 0.297 519 F C 2.390 178.246 175.800 0.093 0.000 1.123 519 F CA 1.683 59.738 58.000 0.092 0.000 1.199 519 F CB 0.014 39.059 39.000 0.076 0.000 0.972 519 F HN 0.053 nan 8.300 nan 0.000 0.474 520 E N 0.280 120.559 120.200 0.132 0.000 2.106 520 E HA -0.113 4.231 4.350 -0.010 0.000 0.192 520 E C 2.457 179.030 176.600 -0.046 0.000 0.984 520 E CA 0.987 57.390 56.400 0.005 0.000 0.806 520 E CB -1.061 28.706 29.700 0.112 0.000 0.750 520 E HN 0.581 nan 8.360 nan 0.000 0.458 521 G N 1.501 110.301 108.800 -0.000 0.000 2.446 521 G HA2 -0.264 3.690 3.960 -0.010 0.000 0.217 521 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.217 521 G C 1.764 176.634 174.900 -0.050 0.000 1.168 521 G CA 1.452 46.543 45.100 -0.014 0.000 0.771 521 G HN 0.397 nan 8.290 nan 0.000 0.551 522 A N 0.441 123.219 122.820 -0.070 0.000 1.933 522 A HA 0.096 4.410 4.320 -0.010 0.000 0.218 522 A C 2.453 179.942 177.584 -0.157 0.000 1.175 522 A CA 1.298 53.277 52.037 -0.098 0.000 0.628 522 A CB -0.376 18.577 19.000 -0.079 0.000 0.814 522 A HN 0.366 nan 8.150 nan 0.000 0.444 523 L N -1.188 119.892 121.223 -0.239 0.000 2.056 523 L HA -0.174 4.160 4.340 -0.010 0.000 0.207 523 L C 2.599 179.399 176.870 -0.118 0.000 1.078 523 L CA 1.807 56.524 54.840 -0.206 0.000 0.749 523 L CB -0.406 41.510 42.059 -0.238 0.000 0.901 523 L HN 0.356 nan 8.230 nan 0.000 0.433 524 K N -0.155 120.191 120.400 -0.090 0.000 2.063 524 K HA -0.156 4.158 4.320 -0.010 0.000 0.208 524 K C 1.978 178.545 176.600 -0.055 0.000 1.048 524 K CA 1.779 58.032 56.287 -0.056 0.000 0.928 524 K CB -0.128 32.348 32.500 -0.039 0.000 0.713 524 K HN 0.148 nan 8.250 nan 0.000 0.442 525 T N -0.597 113.920 114.554 -0.062 0.000 2.821 525 T HA -0.073 4.271 4.350 -0.010 0.000 0.267 525 T C 1.710 176.370 174.700 -0.067 0.000 1.046 525 T CA 1.282 63.349 62.100 -0.055 0.000 1.139 525 T CB -0.476 68.362 68.868 -0.050 0.000 0.871 525 T HN 0.505 nan 8.240 nan 0.000 0.454 526 G N 1.431 110.177 108.800 -0.091 0.000 2.418 526 G HA2 -0.191 3.762 3.960 -0.010 0.000 0.217 526 G HA3 -0.191 3.762 3.960 -0.010 0.000 0.217 526 G C 1.724 176.573 174.900 -0.085 0.000 1.158 526 G CA 0.305 45.341 45.100 -0.107 0.000 0.771 526 G HN 0.407 nan 8.290 nan 0.000 0.545 527 R N -0.192 120.265 120.500 -0.072 0.000 2.081 527 R HA 0.082 4.416 4.340 -0.010 0.000 0.235 527 R C 2.628 178.903 176.300 -0.042 0.000 1.131 527 R CA 0.924 56.992 56.100 -0.053 0.000 0.960 527 R CB -0.484 29.791 30.300 -0.042 0.000 0.856 527 R HN 0.316 nan 8.270 nan 0.000 0.436 528 L N 0.182 121.381 121.223 -0.039 0.000 2.042 528 L HA -0.195 4.139 4.340 -0.010 0.000 0.210 528 L C 2.705 179.555 176.870 -0.033 0.000 1.076 528 L CA 1.336 56.157 54.840 -0.031 0.000 0.749 528 L CB -0.662 41.379 42.059 -0.029 0.000 0.893 528 L HN 0.271 nan 8.230 nan 0.000 0.432 529 A N 0.301 123.097 122.820 -0.041 0.000 1.858 529 A HA -0.181 4.133 4.320 -0.010 0.000 0.216 529 A C 2.269 179.828 177.584 -0.042 0.000 1.190 529 A CA 1.489 53.501 52.037 -0.042 0.000 0.617 529 A CB -0.805 18.164 19.000 -0.051 0.000 0.827 529 A HN 0.336 nan 8.150 nan 0.000 0.443 530 L N -0.651 120.543 121.223 -0.048 0.000 2.013 530 L HA -0.275 4.059 4.340 -0.010 0.000 0.212 530 L C 2.662 179.513 176.870 -0.032 0.000 1.073 530 L CA 2.004 56.817 54.840 -0.044 0.000 0.753 530 L CB -0.657 41.371 42.059 -0.052 0.000 0.890 530 L HN 0.504 nan 8.230 nan 0.000 0.432 531 E N -0.361 119.823 120.200 -0.027 0.000 2.106 531 E HA -0.183 4.161 4.350 -0.010 0.000 0.192 531 E C 2.227 178.817 176.600 -0.017 0.000 0.984 531 E CA 1.500 57.890 56.400 -0.017 0.000 0.806 531 E CB -0.061 29.631 29.700 -0.013 0.000 0.750 531 E HN 0.543 nan 8.360 nan 0.000 0.458 532 S N 0.439 116.127 115.700 -0.020 0.000 2.522 532 S HA 0.009 4.473 4.470 -0.010 0.000 0.227 532 S C 1.810 176.399 174.600 -0.019 0.000 0.986 532 S CA 0.294 58.483 58.200 -0.018 0.000 0.929 532 S CB -0.126 63.063 63.200 -0.019 0.000 0.769 532 S HN 0.152 nan 8.310 nan 0.000 0.529 533 L N 0.891 122.100 121.223 -0.022 0.000 2.599 533 L HA 0.304 4.638 4.340 -0.010 0.000 0.230 533 L C 1.868 178.726 176.870 -0.019 0.000 1.141 533 L CA 0.524 55.350 54.840 -0.022 0.000 0.877 533 L CB -0.314 41.729 42.059 -0.028 0.000 1.009 533 L HN 0.638 nan 8.230 nan 0.000 0.447 534 G N -0.197 108.593 108.800 -0.016 0.000 2.184 534 G HA2 -0.232 3.722 3.960 -0.010 0.000 0.206 534 G HA3 -0.232 3.722 3.960 -0.010 0.000 0.206 534 G C -0.128 174.765 174.900 -0.011 0.000 0.995 534 G CA -0.417 44.676 45.100 -0.013 0.000 0.651 534 G HN 0.095 nan 8.290 nan 0.000 0.511 535 L N 2.330 123.545 121.223 -0.014 0.000 2.397 535 L HA 0.667 5.001 4.340 -0.010 0.000 0.271 535 L C 1.323 178.192 176.870 -0.000 0.000 1.148 535 L CA 0.569 55.403 54.840 -0.011 0.000 0.825 535 L CB 0.788 42.834 42.059 -0.021 0.000 1.117 535 L HN 0.402 nan 8.230 nan 0.000 0.456 536 G N 4.363 113.171 108.800 0.013 0.000 2.432 536 G HA2 0.228 4.182 3.960 -0.010 0.000 0.239 536 G HA3 0.228 4.182 3.960 -0.010 0.000 0.239 536 G C -1.928 172.995 174.900 0.039 0.000 1.291 536 G CA -0.689 44.430 45.100 0.032 0.000 0.863 536 G HN 0.687 nan 8.290 nan 0.000 0.560 537 P HA -0.202 nan 4.420 nan 0.000 0.216 537 P C 1.304 178.657 177.300 0.088 0.000 1.153 537 P CA 1.094 64.223 63.100 0.049 0.000 0.858 537 P CB 0.054 31.784 31.700 0.049 0.000 0.789 538 Y N 0.609 120.900 120.300 -0.015 0.000 2.184 538 Y HA -0.164 4.380 4.550 -0.010 0.000 0.290 538 Y C 2.577 178.472 175.900 -0.009 0.000 1.129 538 Y CA 1.640 59.733 58.100 -0.011 0.000 1.144 538 Y CB -0.399 38.054 38.460 -0.011 0.000 0.995 538 Y HN -0.100 nan 8.280 nan 0.000 0.513 539 E N 0.225 120.412 120.200 -0.021 0.000 2.097 539 E HA -0.288 4.056 4.350 -0.010 0.000 0.196 539 E C 2.211 178.734 176.600 -0.128 0.000 1.000 539 E CA 1.258 57.585 56.400 -0.122 0.000 0.804 539 E CB -0.324 29.361 29.700 -0.025 0.000 0.740 539 E HN 0.604 nan 8.360 nan 0.000 0.454 540 A N 1.418 124.195 122.820 -0.071 0.000 1.902 540 A HA -0.187 4.127 4.320 -0.010 0.000 0.217 540 A C 2.204 179.744 177.584 -0.075 0.000 1.181 540 A CA 1.344 53.344 52.037 -0.063 0.000 0.623 540 A CB -0.529 18.448 19.000 -0.038 0.000 0.818 540 A HN 0.126 nan 8.150 nan 0.000 0.443 541 R N 0.244 120.693 120.500 -0.085 0.000 2.081 541 R HA -0.135 4.199 4.340 -0.010 0.000 0.235 541 R C 1.879 178.112 176.300 -0.113 0.000 1.131 541 R CA 1.892 57.946 56.100 -0.077 0.000 0.960 541 R CB -0.513 29.756 30.300 -0.051 0.000 0.856 541 R HN 0.730 nan 8.270 nan 0.000 0.436 542 E N -0.067 119.995 120.200 -0.230 0.000 2.085 542 E HA -0.208 4.136 4.350 -0.010 0.000 0.194 542 E C 2.236 178.774 176.600 -0.104 0.000 0.994 542 E CA 1.212 57.481 56.400 -0.218 0.000 0.801 542 E CB -0.126 29.369 29.700 -0.342 0.000 0.743 542 E HN 0.350 nan 8.360 nan 0.000 0.453 543 R N 0.357 120.805 120.500 -0.086 0.000 2.081 543 R HA -0.096 4.238 4.340 -0.010 0.000 0.235 543 R C 2.421 178.740 176.300 0.032 0.000 1.131 543 R CA 1.050 57.130 56.100 -0.033 0.000 0.960 543 R CB -0.351 29.919 30.300 -0.049 0.000 0.856 543 R HN 0.114 nan 8.270 nan 0.000 0.436 544 A N 1.672 124.505 122.820 0.022 0.000 1.908 544 A HA -0.204 4.109 4.320 -0.010 0.000 0.218 544 A C 1.576 179.240 177.584 0.134 0.000 1.181 544 A CA 1.805 53.894 52.037 0.086 0.000 0.627 544 A CB -0.378 18.636 19.000 0.024 0.000 0.818 544 A HN 0.172 nan 8.150 nan 0.000 0.445 545 D N -0.324 120.114 120.400 0.064 0.000 2.117 545 D HA -0.109 4.525 4.640 -0.010 0.000 0.197 545 D C 2.063 178.411 176.300 0.081 0.000 0.987 545 D CA 1.450 55.489 54.000 0.065 0.000 0.829 545 D CB -0.454 40.354 40.800 0.013 0.000 0.961 545 D HN 0.215 nan 8.370 nan 0.000 0.460 546 V N 0.752 120.709 119.914 0.072 0.000 2.358 546 V HA -0.215 3.899 4.120 -0.010 0.000 0.246 546 V C 2.148 178.333 176.094 0.152 0.000 1.047 546 V CA 1.234 63.582 62.300 0.081 0.000 1.035 546 V CB -0.514 31.337 31.823 0.046 0.000 0.658 546 V HN 0.093 nan 8.190 nan 0.000 0.452 547 F N 1.325 121.318 119.950 0.071 0.000 2.134 547 F HA -0.159 4.361 4.527 -0.010 0.000 0.299 547 F C 2.602 178.559 175.800 0.262 0.000 1.097 547 F CA 2.152 60.239 58.000 0.145 0.000 1.264 547 F CB -0.415 38.627 39.000 0.069 0.000 1.001 547 F HN -0.049 nan 8.300 nan 0.000 0.479 548 R N 0.510 121.056 120.500 0.076 0.000 2.094 548 R HA -0.251 4.083 4.340 -0.010 0.000 0.239 548 R C 2.604 178.885 176.300 -0.032 0.000 1.137 548 R CA 2.050 58.202 56.100 0.086 0.000 0.943 548 R CB -0.558 29.877 30.300 0.225 0.000 0.850 548 R HN 0.321 nan 8.270 nan 0.000 0.433 549 R N -0.424 120.086 120.500 0.017 0.000 2.083 549 R HA -0.207 4.127 4.340 -0.010 0.000 0.237 549 R C 2.281 178.555 176.300 -0.043 0.000 1.137 549 R CA 2.068 58.170 56.100 0.004 0.000 0.951 549 R CB -0.572 29.756 30.300 0.047 0.000 0.851 549 R HN 0.345 nan 8.270 nan 0.000 0.434 550 F N 1.893 121.754 119.950 -0.149 0.000 2.095 550 F HA -0.268 4.253 4.527 -0.010 0.000 0.298 550 F C 2.156 177.806 175.800 -0.251 0.000 1.104 550 F CA 2.149 60.050 58.000 -0.166 0.000 1.232 550 F CB -0.639 38.282 39.000 -0.132 0.000 0.987 550 F HN 0.121 nan 8.300 nan 0.000 0.475 551 N N 1.128 119.500 118.700 -0.547 0.000 2.142 551 N HA -0.197 4.537 4.740 -0.010 0.000 0.186 551 N C 2.053 177.235 175.510 -0.547 0.000 1.023 551 N CA 1.886 54.539 53.050 -0.662 0.000 0.852 551 N CB -0.279 37.843 38.487 -0.608 0.000 0.998 551 N HN 0.477 nan 8.380 nan 0.000 0.424 552 I N 1.092 121.413 120.570 -0.416 0.000 2.226 552 I HA -0.269 3.895 4.170 -0.010 0.000 0.245 552 I C 2.737 178.686 176.117 -0.279 0.000 1.100 552 I CA 1.045 62.142 61.300 -0.339 0.000 1.374 552 I CB -0.320 37.559 38.000 -0.202 0.000 1.057 552 I HN 0.317 nan 8.210 nan 0.000 0.413 553 Q N 0.803 120.435 119.800 -0.280 0.000 2.124 553 Q HA -0.261 4.073 4.340 -0.010 0.000 0.202 553 Q C 2.338 178.168 176.000 -0.284 0.000 0.977 553 Q CA 1.722 57.386 55.803 -0.231 0.000 0.850 553 Q CB -0.045 28.576 28.738 -0.194 0.000 0.901 553 Q HN 0.513 nan 8.270 nan 0.000 0.429 554 M N -0.578 118.748 119.600 -0.457 0.000 2.156 554 M HA -0.113 4.361 4.480 -0.010 0.000 0.264 554 M C 1.738 177.879 176.300 -0.266 0.000 1.067 554 M CA 1.180 56.238 55.300 -0.404 0.000 1.131 554 M CB 0.166 32.411 32.600 -0.592 0.000 1.368 554 M HN 0.134 nan 8.290 nan 0.000 0.416 555 V N 0.857 120.586 119.914 -0.309 0.000 2.548 555 V HA -0.168 3.946 4.120 -0.010 0.000 0.249 555 V C 2.328 178.359 176.094 -0.106 0.000 1.055 555 V CA 1.453 63.589 62.300 -0.273 0.000 1.065 555 V CB -0.728 30.775 31.823 -0.534 0.000 0.681 555 V HN 0.462 nan 8.190 nan 0.000 0.462 556 E N 0.047 120.201 120.200 -0.077 0.000 2.110 556 E HA -0.258 4.086 4.350 -0.010 0.000 0.193 556 E C 2.177 178.771 176.600 -0.010 0.000 0.988 556 E CA 1.360 57.771 56.400 0.018 0.000 0.804 556 E CB -0.102 29.595 29.700 -0.006 0.000 0.745 556 E HN 0.730 nan 8.360 nan 0.000 0.458 557 E N 0.241 120.409 120.200 -0.054 0.000 2.072 557 E HA -0.146 4.198 4.350 -0.010 0.000 0.191 557 E C 2.139 178.722 176.600 -0.027 0.000 0.985 557 E CA 0.826 57.201 56.400 -0.043 0.000 0.801 557 E CB -0.004 29.658 29.700 -0.062 0.000 0.750 557 E HN 0.177 nan 8.360 nan 0.000 0.452 558 M N 0.277 119.856 119.600 -0.036 0.000 2.149 558 M HA -0.172 4.302 4.480 -0.010 0.000 0.261 558 M C 2.377 178.684 176.300 0.013 0.000 1.064 558 M CA 1.603 56.894 55.300 -0.015 0.000 1.102 558 M CB -0.136 32.447 32.600 -0.027 0.000 1.369 558 M HN 0.190 nan 8.290 nan 0.000 0.408 559 A N 0.086 122.928 122.820 0.037 0.000 1.898 559 A HA -0.129 4.185 4.320 -0.010 0.000 0.216 559 A C 2.044 179.638 177.584 0.015 0.000 1.181 559 A CA 1.348 53.414 52.037 0.049 0.000 0.620 559 A CB -0.323 18.730 19.000 0.089 0.000 0.819 559 A HN 0.342 nan 8.150 nan 0.000 0.442 560 M N -0.108 119.497 119.600 0.007 0.000 2.123 560 M HA 0.055 4.529 4.480 -0.010 0.000 0.263 560 M C 1.317 177.616 176.300 -0.002 0.000 1.069 560 M CA 0.179 55.478 55.300 -0.002 0.000 1.133 560 M CB -1.784 30.813 32.600 -0.005 0.000 1.356 560 M HN 0.086 nan 8.290 nan 0.000 0.415 1002 I N 3.502 124.071 120.570 -0.002 0.000 2.377 1002 I HA 0.549 4.713 4.170 -0.010 0.000 0.293 1002 I C -0.556 175.529 176.117 -0.053 0.000 0.987 1002 I CA -1.054 60.184 61.300 -0.103 0.000 1.185 1002 I CB 1.974 39.898 38.000 -0.127 0.000 1.341 1002 I HN 0.539 nan 8.210 nan 0.000 0.455 1003 L N 8.467 129.659 121.223 -0.052 0.000 2.319 1003 L HA 0.535 4.869 4.340 -0.010 0.000 0.281 1003 L C -0.653 176.221 176.870 0.007 0.000 1.005 1003 L CA -0.125 54.723 54.840 0.013 0.000 0.828 1003 L CB 1.013 43.117 42.059 0.076 0.000 1.227 1003 L HN 0.391 nan 8.230 nan 0.000 0.415 1004 I N 6.540 127.125 120.570 0.026 0.000 2.291 1004 I HA 0.236 4.400 4.170 -0.010 0.000 0.292 1004 I C -0.262 175.912 176.117 0.096 0.000 1.064 1004 I CA -0.471 60.866 61.300 0.061 0.000 1.269 1004 I CB 0.758 38.796 38.000 0.062 0.000 1.418 1004 I HN 0.403 nan 8.210 nan 0.000 0.485 1005 I N 7.593 128.217 120.570 0.090 0.000 2.329 1005 I HA 0.078 4.242 4.170 -0.010 0.000 0.295 1005 I C -0.177 176.015 176.117 0.125 0.000 1.109 1005 I CA -0.094 61.205 61.300 -0.001 0.000 1.297 1005 I CB -0.451 37.391 38.000 -0.264 0.000 1.433 1005 I HN 0.498 nan 8.210 nan 0.000 0.509 1006 Y N 5.594 125.893 120.300 -0.000 0.000 2.320 1006 Y HA 0.597 5.140 4.550 -0.011 0.000 0.334 1006 Y C 0.341 176.290 175.900 0.082 0.000 1.055 1006 Y CA -0.575 57.565 58.100 0.066 0.000 1.143 1006 Y CB 1.500 40.005 38.460 0.075 0.000 1.193 1006 Y HN 0.596 nan 8.280 nan 0.000 0.477 1007 A N 5.232 127.878 122.820 -0.290 0.000 2.663 1007 A HA 0.129 4.443 4.320 -0.010 0.000 0.273 1007 A C -1.001 176.468 177.584 -0.192 0.000 0.932 1007 A CA -0.403 51.544 52.037 -0.149 0.000 1.055 1007 A CB -0.415 18.542 19.000 -0.072 0.000 1.206 1007 A HN 0.828 nan 8.150 nan 0.000 0.485 1008 H N 1.396 120.013 119.070 -0.755 0.000 2.803 1008 H HA 0.188 4.738 4.556 -0.010 0.000 0.330 1008 H C -1.924 172.996 175.328 -0.679 0.000 1.057 1008 H CA -1.136 54.593 56.048 -0.532 0.000 1.458 1008 H CB 1.551 31.024 29.762 -0.481 0.000 1.470 1008 H HN 0.109 nan 8.280 nan 0.000 0.560 1009 P HA -0.085 nan 4.420 nan 0.000 0.218 1009 P C -0.569 176.089 177.300 -1.070 0.000 1.149 1009 P CA 1.368 63.447 63.100 -1.701 0.000 0.817 1009 P CB 0.136 31.011 31.700 -1.376 0.000 0.785 1010 Y N -2.678 117.671 120.300 0.081 0.000 2.584 1010 Y HA 0.329 4.873 4.550 -0.010 0.000 0.358 1010 Y C -1.832 174.019 175.900 -0.082 0.000 1.028 1010 Y CA -2.396 55.743 58.100 0.065 0.000 1.148 1010 Y CB 0.532 39.047 38.460 0.091 0.000 1.126 1010 Y HN 0.011 nan 8.280 nan 0.000 0.658 1011 P HA -0.175 nan 4.420 nan 0.000 0.218 1011 P C 1.075 178.432 177.300 0.095 0.000 1.148 1011 P CA 1.848 64.955 63.100 0.012 0.000 0.822 1011 P CB 0.177 32.019 31.700 0.236 0.000 0.784 1012 H N -2.261 116.795 119.070 -0.023 0.000 2.457 1012 H HA -0.045 4.505 4.556 -0.011 0.000 0.294 1012 H C 1.569 176.719 175.328 -0.297 0.000 1.064 1012 H CA 0.595 56.554 56.048 -0.149 0.000 1.330 1012 H CB -0.110 29.542 29.762 -0.182 0.000 1.395 1012 H HN 0.364 nan 8.280 nan 0.000 0.541 1013 H N -0.188 118.886 119.070 0.007 0.000 2.563 1013 H HA 0.072 4.621 4.556 -0.011 0.000 0.264 1013 H C 1.056 176.182 175.328 -0.336 0.000 0.957 1013 H CA -0.013 55.960 56.048 -0.125 0.000 1.173 1013 H CB 0.409 30.137 29.762 -0.056 0.000 1.420 1013 H HN 0.063 nan 8.280 nan 0.000 0.551 1014 S N 0.723 116.254 115.700 -0.283 0.000 2.549 1014 S HA -0.026 4.438 4.470 -0.010 0.000 0.286 1014 S C 1.036 175.452 174.600 -0.307 0.000 1.314 1014 S CA -0.378 57.634 58.200 -0.314 0.000 1.062 1014 S CB 0.595 63.587 63.200 -0.346 0.000 0.865 1014 S HN 0.359 nan 8.310 nan 0.000 0.498 1015 H N 3.768 122.873 119.070 0.058 0.000 2.348 1015 H HA 0.231 4.780 4.556 -0.011 0.000 0.313 1015 H C 2.284 177.632 175.328 0.034 0.000 1.051 1015 H CA 1.188 57.260 56.048 0.040 0.000 1.420 1015 H CB -0.965 28.826 29.762 0.049 0.000 1.484 1015 H HN 0.700 nan 8.280 nan 0.000 0.609 1016 A N 2.147 125.077 122.820 0.183 0.000 1.835 1016 A HA -0.177 4.137 4.320 -0.010 0.000 0.215 1016 A C 2.216 179.832 177.584 0.054 0.000 1.199 1016 A CA 1.649 53.744 52.037 0.096 0.000 0.615 1016 A CB -0.634 18.407 19.000 0.069 0.000 0.838 1016 A HN 0.386 nan 8.150 nan 0.000 0.444 1017 N N -0.348 118.410 118.700 0.096 0.000 2.104 1017 N HA -0.183 4.551 4.740 -0.010 0.000 0.190 1017 N C 1.846 177.332 175.510 -0.039 0.000 1.024 1017 N CA 1.566 54.658 53.050 0.070 0.000 0.853 1017 N CB -0.262 38.440 38.487 0.359 0.000 1.008 1017 N HN 0.600 nan 8.380 nan 0.000 0.424 1018 K N 1.476 121.871 120.400 -0.009 0.000 2.009 1018 K HA -0.117 4.197 4.320 -0.010 0.000 0.210 1018 K C 2.065 178.633 176.600 -0.053 0.000 1.049 1018 K CA 1.037 57.288 56.287 -0.060 0.000 0.929 1018 K CB 0.053 32.529 32.500 -0.040 0.000 0.714 1018 K HN 0.048 nan 8.250 nan 0.000 0.440 1019 R N 0.252 120.745 120.500 -0.011 0.000 2.103 1019 R HA -0.160 4.174 4.340 -0.010 0.000 0.242 1019 R C 2.361 178.654 176.300 -0.011 0.000 1.142 1019 R CA 1.986 58.084 56.100 -0.002 0.000 0.960 1019 R CB -0.495 29.819 30.300 0.024 0.000 0.858 1019 R HN 0.389 nan 8.270 nan 0.000 0.439 1020 M N 0.254 119.833 119.600 -0.035 0.000 2.108 1020 M HA -0.185 4.289 4.480 -0.010 0.000 0.261 1020 M C 2.322 178.657 176.300 0.059 0.000 1.066 1020 M CA 1.587 56.878 55.300 -0.015 0.000 1.107 1020 M CB -0.236 32.187 32.600 -0.295 0.000 1.356 1020 M HN 0.107 nan 8.290 nan 0.000 0.406 1021 L N -0.561 120.620 121.223 -0.071 0.000 2.072 1021 L HA -0.171 4.162 4.340 -0.010 0.000 0.205 1021 L C 2.264 179.092 176.870 -0.069 0.000 1.079 1021 L CA 1.214 55.992 54.840 -0.103 0.000 0.752 1021 L CB -0.627 41.267 42.059 -0.276 0.000 0.906 1021 L HN 0.325 nan 8.230 nan 0.000 0.436 1022 E N -0.326 119.838 120.200 -0.060 0.000 2.070 1022 E HA -0.283 4.061 4.350 -0.010 0.000 0.197 1022 E C 2.280 178.859 176.600 -0.035 0.000 1.004 1022 E CA 1.250 57.624 56.400 -0.042 0.000 0.805 1022 E CB -0.043 29.639 29.700 -0.030 0.000 0.744 1022 E HN 0.412 nan 8.360 nan 0.000 0.451 1023 Q N -0.124 119.663 119.800 -0.022 0.000 2.079 1023 Q HA -0.089 4.245 4.340 -0.010 0.000 0.200 1023 Q C 2.223 178.180 176.000 -0.072 0.000 0.974 1023 Q CA 1.416 57.201 55.803 -0.030 0.000 0.840 1023 Q CB -0.404 28.330 28.738 -0.006 0.000 0.898 1023 Q HN 0.288 nan 8.270 nan 0.000 0.430 1024 A N 1.026 123.794 122.820 -0.087 0.000 1.933 1024 A HA -0.178 4.136 4.320 -0.010 0.000 0.218 1024 A C 2.089 179.607 177.584 -0.110 0.000 1.175 1024 A CA 1.230 53.169 52.037 -0.164 0.000 0.628 1024 A CB -0.415 18.480 19.000 -0.175 0.000 0.814 1024 A HN 0.252 nan 8.150 nan 0.000 0.444 1025 R N -0.468 119.988 120.500 -0.073 0.000 2.189 1025 R HA -0.085 4.249 4.340 -0.010 0.000 0.223 1025 R C 2.178 178.450 176.300 -0.046 0.000 1.092 1025 R CA 1.529 57.596 56.100 -0.054 0.000 0.989 1025 R CB -0.541 29.732 30.300 -0.044 0.000 0.876 1025 R HN 0.767 nan 8.270 nan 0.000 0.457 1026 T N -1.452 113.072 114.554 -0.050 0.000 3.072 1026 T HA 0.046 4.390 4.350 -0.010 0.000 0.266 1026 T C 0.983 175.658 174.700 -0.041 0.000 1.127 1026 T CA 0.379 62.455 62.100 -0.040 0.000 1.107 1026 T CB -0.071 68.775 68.868 -0.037 0.000 0.910 1026 T HN -0.011 nan 8.240 nan 0.000 0.513 1027 L N 1.675 122.866 121.223 -0.055 0.000 2.439 1027 L HA 0.471 4.805 4.340 -0.010 0.000 0.259 1027 L C 0.581 177.432 176.870 -0.032 0.000 1.129 1027 L CA -1.066 53.745 54.840 -0.048 0.000 0.803 1027 L CB 0.802 42.818 42.059 -0.071 0.000 1.161 1027 L HN 0.420 nan 8.230 nan 0.000 0.462 1028 E N -0.546 119.642 120.200 -0.019 0.000 2.232 1028 E HA 0.507 4.851 4.350 -0.010 0.000 0.264 1028 E C 0.417 177.020 176.600 0.005 0.000 0.973 1028 E CA -0.562 55.834 56.400 -0.007 0.000 0.849 1028 E CB 1.344 31.044 29.700 -0.002 0.000 1.198 1028 E HN 0.729 nan 8.360 nan 0.000 0.407 1029 G N 0.083 108.890 108.800 0.012 0.000 2.198 1029 G HA2 -0.248 3.706 3.960 -0.010 0.000 0.260 1029 G HA3 -0.248 3.706 3.960 -0.010 0.000 0.260 1029 G C -0.143 174.767 174.900 0.016 0.000 1.025 1029 G CA 0.300 45.415 45.100 0.025 0.000 0.769 1029 G HN 0.348 nan 8.290 nan 0.000 0.507 1030 V N 0.440 120.352 119.914 -0.003 0.000 2.370 1030 V HA 0.532 4.646 4.120 -0.010 0.000 0.283 1030 V C 0.405 176.496 176.094 -0.004 0.000 1.023 1030 V CA -0.576 61.712 62.300 -0.019 0.000 0.857 1030 V CB 1.754 33.548 31.823 -0.048 0.000 0.985 1030 V HN 0.441 nan 8.190 nan 0.000 0.443 1031 E N 4.890 125.095 120.200 0.008 0.000 2.191 1031 E HA 0.626 4.970 4.350 -0.010 0.000 0.274 1031 E C -1.352 175.264 176.600 0.027 0.000 0.948 1031 E CA -0.666 55.749 56.400 0.025 0.000 0.802 1031 E CB 1.647 31.376 29.700 0.047 0.000 1.137 1031 E HN 0.616 nan 8.360 nan 0.000 0.397 1032 I N 4.035 124.625 120.570 0.033 0.000 2.436 1032 I HA 0.395 4.559 4.170 -0.010 0.000 0.289 1032 I C -0.344 175.817 176.117 0.073 0.000 1.010 1032 I CA -0.737 60.590 61.300 0.046 0.000 1.098 1032 I CB 1.770 39.779 38.000 0.015 0.000 1.266 1032 I HN 0.365 nan 8.210 nan 0.000 0.434 1033 R N 3.670 124.229 120.500 0.099 0.000 2.320 1033 R HA 0.319 4.653 4.340 -0.010 0.000 0.319 1033 R C -0.572 175.800 176.300 0.121 0.000 0.969 1033 R CA -0.421 55.737 56.100 0.097 0.000 0.857 1033 R CB 1.926 32.293 30.300 0.111 0.000 1.160 1033 R HN 0.502 nan 8.270 nan 0.000 0.491 1034 S N 4.221 119.998 115.700 0.128 0.000 2.411 1034 S HA 0.167 4.631 4.470 -0.010 0.000 0.304 1034 S C 1.560 176.182 174.600 0.036 0.000 1.098 1034 S CA -0.577 57.727 58.200 0.173 0.000 1.068 1034 S CB 0.265 63.614 63.200 0.248 0.000 1.032 1034 S HN 0.602 nan 8.310 nan 0.000 0.511 1035 L N 4.416 125.634 121.223 -0.008 0.000 2.042 1035 L HA -0.132 4.202 4.340 -0.010 0.000 0.210 1035 L C 1.378 178.161 176.870 -0.145 0.000 1.076 1035 L CA 1.609 56.403 54.840 -0.076 0.000 0.749 1035 L CB -0.538 41.405 42.059 -0.194 0.000 0.893 1035 L HN 0.713 nan 8.230 nan 0.000 0.432 1036 Y N -0.565 119.667 120.300 -0.112 0.000 2.544 1036 Y HA -0.158 4.386 4.550 -0.010 0.000 0.286 1036 Y C 2.628 178.486 175.900 -0.070 0.000 1.141 1036 Y CA 0.665 58.707 58.100 -0.097 0.000 1.299 1036 Y CB -0.001 38.371 38.460 -0.148 0.000 1.030 1036 Y HN 0.231 nan 8.280 nan 0.000 0.543 1037 Q N 0.321 120.152 119.800 0.052 0.000 2.165 1037 Q HA -0.011 4.323 4.340 -0.010 0.000 0.197 1037 Q C 1.626 177.572 176.000 -0.090 0.000 0.952 1037 Q CA 1.302 57.108 55.803 0.006 0.000 0.848 1037 Q CB -0.282 28.477 28.738 0.036 0.000 0.931 1037 Q HN 0.496 nan 8.270 nan 0.000 0.470 1038 L N -0.852 120.229 121.223 -0.237 0.000 2.109 1038 L HA 0.001 4.335 4.340 -0.010 0.000 0.207 1038 L C 0.369 176.836 176.870 -0.671 0.000 1.086 1038 L CA 0.822 55.319 54.840 -0.571 0.000 0.760 1038 L CB 0.060 41.526 42.059 -0.987 0.000 0.910 1038 L HN 0.226 nan 8.230 nan 0.000 0.437 1039 Y N -1.395 118.886 120.300 -0.033 0.000 2.470 1039 Y HA 0.252 4.796 4.550 -0.010 0.000 0.352 1039 Y C -1.659 174.239 175.900 -0.004 0.000 0.967 1039 Y CA -1.716 56.361 58.100 -0.038 0.000 1.121 1039 Y CB 0.099 38.493 38.460 -0.111 0.000 1.149 1039 Y HN -0.049 nan 8.280 nan 0.000 0.641 1040 P HA -0.158 nan 4.420 nan 0.000 0.221 1040 P C 0.265 177.765 177.300 0.334 0.000 1.145 1040 P CA 1.535 64.776 63.100 0.235 0.000 0.795 1040 P CB 0.465 32.261 31.700 0.161 0.000 0.775 1041 D N -1.262 119.314 120.400 0.294 0.000 2.342 1041 D HA 0.080 4.714 4.640 -0.010 0.000 0.221 1041 D C -0.072 176.451 176.300 0.370 0.000 1.101 1041 D CA -0.313 53.846 54.000 0.265 0.000 0.837 1041 D CB -0.270 40.635 40.800 0.175 0.000 0.938 1041 D HN -0.003 nan 8.370 nan 0.000 0.508 1042 F N 1.934 121.914 119.950 0.049 0.000 3.067 1042 F HA -0.240 4.281 4.527 -0.010 0.000 0.279 1042 F C 0.290 176.071 175.800 -0.032 0.000 0.945 1042 F CA -0.071 57.926 58.000 -0.004 0.000 0.948 1042 F CB -2.436 36.571 39.000 0.010 0.000 0.898 1042 F HN 0.160 nan 8.300 nan 0.000 0.746 1043 N N 0.734 119.485 118.700 0.085 0.000 3.012 1043 N HA 0.270 5.004 4.740 -0.010 0.000 0.270 1043 N C -0.226 175.118 175.510 -0.276 0.000 1.469 1043 N CA -0.455 52.582 53.050 -0.022 0.000 0.928 1043 N CB 0.311 38.839 38.487 0.068 0.000 1.219 1043 N HN 0.229 nan 8.380 nan 0.000 0.492 1044 I N 0.306 120.558 120.570 -0.529 0.000 2.683 1044 I HA -0.052 4.112 4.170 -0.010 0.000 0.286 1044 I C 0.558 176.370 176.117 -0.508 0.000 1.175 1044 I CA 0.320 61.048 61.300 -0.954 0.000 1.429 1044 I CB 0.339 37.954 38.000 -0.643 0.000 1.371 1044 I HN 0.337 nan 8.210 nan 0.000 0.569 1045 D N 6.980 127.147 120.400 -0.389 0.000 2.453 1045 D HA 0.204 4.838 4.640 -0.010 0.000 0.223 1045 D C 1.140 177.364 176.300 -0.126 0.000 1.183 1045 D CA -0.216 53.735 54.000 -0.082 0.000 0.933 1045 D CB 0.493 41.369 40.800 0.127 0.000 1.038 1045 D HN 0.396 nan 8.370 nan 0.000 0.513 1046 I N 2.556 123.009 120.570 -0.194 0.000 2.163 1046 I HA -0.314 3.850 4.170 -0.010 0.000 0.243 1046 I C 2.369 178.332 176.117 -0.257 0.000 1.085 1046 I CA 1.290 62.429 61.300 -0.269 0.000 1.347 1046 I CB -0.099 37.744 38.000 -0.263 0.000 1.044 1046 I HN 0.425 nan 8.210 nan 0.000 0.408 1047 A N 0.632 123.346 122.820 -0.177 0.000 1.908 1047 A HA -0.201 4.113 4.320 -0.010 0.000 0.218 1047 A C 2.533 180.069 177.584 -0.079 0.000 1.181 1047 A CA 1.991 53.942 52.037 -0.144 0.000 0.627 1047 A CB -0.897 18.055 19.000 -0.080 0.000 0.818 1047 A HN 0.457 nan 8.150 nan 0.000 0.445 1048 A N -0.495 122.314 122.820 -0.019 0.000 1.902 1048 A HA -0.138 4.176 4.320 -0.010 0.000 0.217 1048 A C 1.950 179.577 177.584 0.072 0.000 1.181 1048 A CA 1.718 53.783 52.037 0.048 0.000 0.623 1048 A CB -0.393 18.669 19.000 0.104 0.000 0.818 1048 A HN 0.459 nan 8.150 nan 0.000 0.443 1049 E N 0.164 120.392 120.200 0.046 0.000 2.072 1049 E HA -0.194 4.150 4.350 -0.010 0.000 0.191 1049 E C 2.169 178.786 176.600 0.028 0.000 0.985 1049 E CA 1.370 57.834 56.400 0.106 0.000 0.801 1049 E CB -0.544 29.160 29.700 0.006 0.000 0.750 1049 E HN 0.789 nan 8.360 nan 0.000 0.452 1050 Q N 0.365 120.033 119.800 -0.220 0.000 2.170 1050 Q HA -0.154 4.180 4.340 -0.010 0.000 0.203 1050 Q C 2.167 178.216 176.000 0.081 0.000 0.976 1050 Q CA 0.960 56.555 55.803 -0.348 0.000 0.858 1050 Q CB -0.010 28.122 28.738 -1.010 0.000 0.907 1050 Q HN 0.195 nan 8.270 nan 0.000 0.433 1051 E N 0.791 121.026 120.200 0.059 0.000 2.047 1051 E HA -0.160 4.184 4.350 -0.010 0.000 0.191 1051 E C 1.902 178.595 176.600 0.156 0.000 0.987 1051 E CA 1.216 57.686 56.400 0.117 0.000 0.799 1051 E CB -0.019 29.726 29.700 0.074 0.000 0.752 1051 E HN 0.307 nan 8.360 nan 0.000 0.449 1052 A N 1.211 124.129 122.820 0.164 0.000 1.902 1052 A HA -0.127 4.187 4.320 -0.010 0.000 0.217 1052 A C 2.475 180.195 177.584 0.227 0.000 1.181 1052 A CA 1.177 53.324 52.037 0.183 0.000 0.623 1052 A CB -0.726 18.392 19.000 0.196 0.000 0.818 1052 A HN 0.288 nan 8.150 nan 0.000 0.443 1053 L N -0.575 120.834 121.223 0.310 0.000 2.083 1053 L HA -0.170 4.164 4.340 -0.010 0.000 0.209 1053 L C 2.803 179.851 176.870 0.298 0.000 1.083 1053 L CA 1.404 56.468 54.840 0.373 0.000 0.752 1053 L CB -0.439 41.968 42.059 0.581 0.000 0.899 1053 L HN 0.310 nan 8.230 nan 0.000 0.433 1054 S N -0.472 115.412 115.700 0.307 0.000 2.419 1054 S HA -0.183 4.281 4.470 -0.010 0.000 0.235 1054 S C 1.979 176.666 174.600 0.144 0.000 1.019 1054 S CA 1.329 59.659 58.200 0.217 0.000 0.982 1054 S CB -0.176 63.157 63.200 0.222 0.000 0.789 1054 S HN 0.374 nan 8.310 nan 0.000 0.490 1055 R N 0.323 120.908 120.500 0.143 0.000 2.280 1055 R HA 0.322 4.656 4.340 -0.010 0.000 0.195 1055 R C 0.547 176.910 176.300 0.105 0.000 0.935 1055 R CA 0.213 56.379 56.100 0.110 0.000 1.033 1055 R CB 0.205 30.566 30.300 0.101 0.000 0.964 1055 R HN 0.240 nan 8.270 nan 0.000 0.489 1056 A N 0.510 123.400 122.820 0.117 0.000 2.304 1056 A HA 0.211 4.525 4.320 -0.010 0.000 0.301 1056 A C -0.142 177.491 177.584 0.083 0.000 1.132 1056 A CA -0.588 51.502 52.037 0.090 0.000 0.819 1056 A CB 0.692 19.746 19.000 0.091 0.000 1.094 1056 A HN 0.038 nan 8.150 nan 0.000 0.492 1057 D N -0.015 120.425 120.400 0.066 0.000 2.463 1057 D HA 0.092 4.726 4.640 -0.010 0.000 0.237 1057 D C -0.203 176.050 176.300 -0.079 0.000 1.013 1057 D CA 0.629 54.701 54.000 0.120 0.000 0.910 1057 D CB 0.316 41.317 40.800 0.334 0.000 1.080 1057 D HN 0.347 nan 8.370 nan 0.000 0.498 1058 L N 1.484 122.460 121.223 -0.413 0.000 2.313 1058 L HA 0.438 4.772 4.340 -0.010 0.000 0.283 1058 L C -1.080 175.573 176.870 -0.360 0.000 1.013 1058 L CA -0.502 53.908 54.840 -0.717 0.000 0.816 1058 L CB 1.573 42.702 42.059 -1.550 0.000 1.236 1058 L HN -0.203 nan 8.230 nan 0.000 0.419 1059 I N 5.417 125.828 120.570 -0.265 0.000 2.377 1059 I HA 0.499 4.663 4.170 -0.010 0.000 0.293 1059 I C -0.721 175.252 176.117 -0.240 0.000 0.987 1059 I CA -0.744 60.460 61.300 -0.161 0.000 1.185 1059 I CB 1.864 39.834 38.000 -0.050 0.000 1.341 1059 I HN 0.269 nan 8.210 nan 0.000 0.455 1060 V N 4.860 124.692 119.914 -0.138 0.000 2.495 1060 V HA 0.344 4.458 4.120 -0.010 0.000 0.298 1060 V C -0.998 175.165 176.094 0.114 0.000 1.031 1060 V CA -0.615 61.651 62.300 -0.057 0.000 0.871 1060 V CB 1.765 33.600 31.823 0.020 0.000 0.988 1060 V HN 0.557 nan 8.190 nan 0.000 0.432 1061 W N 3.906 125.292 121.300 0.143 0.000 2.288 1061 W HA 0.500 5.154 4.660 -0.010 0.000 0.325 1061 W C 0.155 176.860 176.519 0.310 0.000 1.019 1061 W CA -0.821 56.645 57.345 0.201 0.000 1.403 1061 W CB 0.824 30.457 29.460 0.287 0.000 1.226 1061 W HN 0.565 nan 8.180 nan 0.000 0.391 1062 Q N 4.356 124.425 119.800 0.448 0.000 2.322 1062 Q HA 0.421 4.755 4.340 -0.010 0.000 0.265 1062 Q C -0.893 175.329 176.000 0.370 0.000 0.985 1062 Q CA -0.303 55.686 55.803 0.310 0.000 0.849 1062 Q CB 1.357 30.240 28.738 0.242 0.000 1.274 1062 Q HN 0.680 nan 8.270 nan 0.000 0.449 1063 H N 0.886 120.061 119.070 0.176 0.000 2.987 1063 H HA 0.511 5.060 4.556 -0.010 0.000 0.316 1063 H C -3.067 172.278 175.328 0.029 0.000 1.380 1063 H CA -1.845 54.258 56.048 0.091 0.000 1.160 1063 H CB 0.878 30.673 29.762 0.055 0.000 1.865 1063 H HN 0.330 nan 8.280 nan 0.000 0.521 1064 P HA 0.079 nan 4.420 nan 0.000 0.276 1064 P C -0.270 177.108 177.300 0.131 0.000 1.230 1064 P CA -0.424 62.636 63.100 -0.066 0.000 0.776 1064 P CB 1.013 32.596 31.700 -0.195 0.000 0.888 1065 M N 3.294 122.930 119.600 0.061 0.000 2.239 1065 M HA 0.069 4.543 4.480 -0.010 0.000 0.348 1065 M C -0.420 175.918 176.300 0.064 0.000 1.239 1065 M CA 0.984 56.397 55.300 0.189 0.000 1.114 1065 M CB 0.025 32.736 32.600 0.186 0.000 1.641 1065 M HN 0.291 nan 8.290 nan 0.000 0.453 1066 Q N 4.689 124.548 119.800 0.099 0.000 2.275 1066 Q HA 0.214 4.548 4.340 -0.010 0.000 0.266 1066 Q C -1.647 174.420 176.000 0.112 0.000 1.002 1066 Q CA -0.537 55.264 55.803 -0.004 0.000 0.761 1066 Q CB 1.245 30.020 28.738 0.062 0.000 1.255 1066 Q HN 0.970 nan 8.270 nan 0.000 0.446 1067 W N 2.669 123.965 121.300 -0.006 0.000 6.486 1067 W HA -0.314 4.340 4.660 -0.011 0.000 0.411 1067 W C -0.578 176.049 176.519 0.181 0.000 1.595 1067 W CA 0.539 57.908 57.345 0.041 0.000 1.075 1067 W CB -2.096 27.454 29.460 0.149 0.000 2.798 1067 W HN 0.916 nan 8.180 nan 0.000 1.534 1068 Y N -2.653 117.880 120.300 0.388 0.000 4.490 1068 Y HA -0.350 4.194 4.550 -0.010 0.000 0.233 1068 Y C 1.086 177.154 175.900 0.280 0.000 1.101 1068 Y CA 1.370 59.688 58.100 0.362 0.000 2.010 1068 Y CB -2.005 36.656 38.460 0.335 0.000 1.622 1068 Y HN 0.295 nan 8.280 nan 0.000 0.675 1069 S N -1.091 114.820 115.700 0.351 0.000 3.003 1069 S HA 0.810 5.274 4.470 -0.010 0.000 0.313 1069 S C -0.855 173.893 174.600 0.246 0.000 1.230 1069 S CA -0.393 57.966 58.200 0.265 0.000 0.977 1069 S CB 0.550 63.868 63.200 0.198 0.000 1.340 1069 S HN 0.520 nan 8.310 nan 0.000 0.608 1070 I N 0.140 120.743 120.570 0.055 0.000 2.863 1070 I HA 0.758 4.922 4.170 -0.010 0.000 0.311 1070 I C -2.835 173.207 176.117 -0.126 0.000 1.026 1070 I CA -2.845 58.322 61.300 -0.221 0.000 1.077 1070 I CB 1.463 39.204 38.000 -0.431 0.000 1.262 1070 I HN 0.320 nan 8.210 nan 0.000 0.461 1071 P HA 0.303 nan 4.420 nan 0.000 0.274 1071 P C -2.266 175.043 177.300 0.014 0.000 1.231 1071 P CA -1.274 61.825 63.100 -0.002 0.000 0.790 1071 P CB 0.074 31.803 31.700 0.049 0.000 0.951 1072 P HA -0.181 nan 4.420 nan 0.000 0.216 1072 P C 1.380 178.676 177.300 -0.008 0.000 1.150 1072 P CA 0.964 64.153 63.100 0.148 0.000 0.843 1072 P CB -0.108 31.802 31.700 0.350 0.000 0.787 1073 L N -1.345 119.737 121.223 -0.235 0.000 2.156 1073 L HA -0.063 4.271 4.340 -0.010 0.000 0.208 1073 L C 2.056 178.672 176.870 -0.423 0.000 1.095 1073 L CA 1.467 55.858 54.840 -0.749 0.000 0.770 1073 L CB -1.361 39.762 42.059 -1.561 0.000 0.914 1073 L HN -0.123 nan 8.230 nan 0.000 0.439 1074 L N -0.498 120.540 121.223 -0.309 0.000 2.093 1074 L HA -0.146 4.188 4.340 -0.010 0.000 0.208 1074 L C 2.465 179.164 176.870 -0.284 0.000 1.085 1074 L CA 1.731 56.370 54.840 -0.334 0.000 0.755 1074 L CB -0.810 40.991 42.059 -0.431 0.000 0.904 1074 L HN 0.205 nan 8.230 nan 0.000 0.435 1075 K N -0.380 119.877 120.400 -0.238 0.000 2.057 1075 K HA -0.180 4.134 4.320 -0.010 0.000 0.207 1075 K C 2.053 178.575 176.600 -0.131 0.000 1.049 1075 K CA 1.774 57.947 56.287 -0.191 0.000 0.931 1075 K CB -0.822 31.600 32.500 -0.130 0.000 0.714 1075 K HN 0.303 nan 8.250 nan 0.000 0.440 1076 L N -0.243 120.914 121.223 -0.109 0.000 2.012 1076 L HA -0.102 4.232 4.340 -0.010 0.000 0.210 1076 L C 2.070 178.883 176.870 -0.095 0.000 1.073 1076 L CA 1.986 56.775 54.840 -0.085 0.000 0.748 1076 L CB -0.719 41.282 42.059 -0.096 0.000 0.891 1076 L HN 0.475 nan 8.230 nan 0.000 0.431 1077 W N 0.209 121.322 121.300 -0.312 0.000 2.335 1077 W HA -0.269 4.385 4.660 -0.010 0.000 0.311 1077 W C 2.339 178.678 176.519 -0.300 0.000 1.213 1077 W CA 2.414 59.583 57.345 -0.293 0.000 1.274 1077 W CB -0.182 29.104 29.460 -0.290 0.000 1.148 1077 W HN 0.176 nan 8.180 nan 0.000 0.498 1078 I N 0.550 121.086 120.570 -0.055 0.000 2.127 1078 I HA -0.362 3.802 4.170 -0.010 0.000 0.241 1078 I C 2.090 178.079 176.117 -0.214 0.000 1.075 1078 I CA 1.981 63.085 61.300 -0.327 0.000 1.334 1078 I CB -0.775 37.022 38.000 -0.337 0.000 1.040 1078 I HN -0.082 nan 8.210 nan 0.000 0.405 1079 D N 0.655 120.981 120.400 -0.124 0.000 2.123 1079 D HA -0.153 4.481 4.640 -0.010 0.000 0.196 1079 D C 2.226 178.507 176.300 -0.032 0.000 0.992 1079 D CA 1.155 55.129 54.000 -0.043 0.000 0.833 1079 D CB -0.070 40.710 40.800 -0.033 0.000 0.954 1079 D HN 0.188 nan 8.370 nan 0.000 0.455 1080 K N 0.004 120.330 120.400 -0.123 0.000 2.099 1080 K HA 0.090 4.404 4.320 -0.010 0.000 0.203 1080 K C 2.233 178.707 176.600 -0.211 0.000 1.047 1080 K CA 0.251 56.447 56.287 -0.151 0.000 0.963 1080 K CB -0.584 31.791 32.500 -0.208 0.000 0.759 1080 K HN 0.080 nan 8.250 nan 0.000 0.451 1081 V N 1.016 120.688 119.914 -0.403 0.000 2.453 1081 V HA -0.096 4.018 4.120 -0.010 0.000 0.247 1081 V C 0.951 177.041 176.094 -0.007 0.000 1.048 1081 V CA 0.918 62.924 62.300 -0.491 0.000 1.049 1081 V CB -0.386 30.736 31.823 -1.169 0.000 0.672 1081 V HN 0.039 nan 8.190 nan 0.000 0.457 1082 F N 2.757 122.656 119.950 -0.084 0.000 2.652 1082 F HA 0.311 4.832 4.527 -0.010 0.000 0.352 1082 F C 1.042 177.048 175.800 0.345 0.000 1.259 1082 F CA -0.973 57.177 58.000 0.250 0.000 1.249 1082 F CB -1.072 38.103 39.000 0.292 0.000 1.628 1082 F HN 0.129 nan 8.300 nan 0.000 0.654 1083 S N 0.468 116.423 115.700 0.425 0.000 2.654 1083 S HA 0.271 4.735 4.470 -0.010 0.000 0.283 1083 S C -0.136 174.501 174.600 0.063 0.000 1.180 1083 S CA -0.794 57.565 58.200 0.265 0.000 1.021 1083 S CB 1.337 64.592 63.200 0.092 0.000 1.018 1083 S HN 0.561 nan 8.310 nan 0.000 0.532 1084 H N 0.338 119.278 119.070 -0.216 0.000 2.964 1084 H HA 0.261 4.811 4.556 -0.010 0.000 0.328 1084 H C 1.555 176.715 175.328 -0.280 0.000 1.030 1084 H CA 1.883 57.551 56.048 -0.632 0.000 1.445 1084 H CB 0.116 29.672 29.762 -0.343 0.000 1.449 1084 H HN 1.214 nan 8.280 nan 0.000 0.581 1085 G N 3.917 112.179 108.800 -0.896 0.000 2.176 1085 G HA2 -0.318 3.636 3.960 -0.010 0.000 0.253 1085 G HA3 -0.318 3.636 3.960 -0.010 0.000 0.253 1085 G C 0.664 175.450 174.900 -0.190 0.000 0.979 1085 G CA 0.597 45.414 45.100 -0.471 0.000 0.641 1085 G HN 0.697 nan 8.290 nan 0.000 0.530 1086 W N -0.182 120.928 121.300 -0.317 0.000 3.875 1086 W HA 0.576 5.230 4.660 -0.010 0.000 0.221 1086 W C 2.249 178.649 176.519 -0.198 0.000 0.947 1086 W CA 1.830 59.052 57.345 -0.204 0.000 2.039 1086 W CB -0.227 29.160 29.460 -0.122 0.000 0.954 1086 W HN 0.440 nan 8.180 nan 0.000 0.792 1087 A N -0.775 122.088 122.820 0.071 0.000 2.115 1087 A HA 0.277 4.591 4.320 -0.010 0.000 0.211 1087 A C -0.381 177.229 177.584 0.043 0.000 1.169 1087 A CA 1.273 53.276 52.037 -0.056 0.000 0.787 1087 A CB -0.473 18.617 19.000 0.149 0.000 0.858 1087 A HN 0.594 nan 8.150 nan 0.000 0.474 1088 Y N -4.768 115.491 120.300 -0.068 0.000 2.725 1088 Y HA 0.554 5.098 4.550 -0.010 0.000 0.333 1088 Y C 0.239 176.059 175.900 -0.133 0.000 1.242 1088 Y CA -1.229 56.836 58.100 -0.059 0.000 1.059 1088 Y CB 0.153 38.692 38.460 0.132 0.000 1.306 1088 Y HN 1.217 nan 8.280 nan 0.000 0.454 1089 G N 0.493 109.283 108.800 -0.017 0.000 2.760 1089 G HA2 -0.183 3.771 3.960 -0.010 0.000 0.246 1089 G HA3 -0.183 3.771 3.960 -0.010 0.000 0.246 1089 G C -1.206 173.582 174.900 -0.187 0.000 1.359 1089 G CA -0.089 44.938 45.100 -0.122 0.000 0.861 1089 G HN 1.493 nan 8.290 nan 0.000 0.541 1090 H N 0.953 119.909 119.070 -0.191 0.000 3.091 1090 H HA 0.439 4.989 4.556 -0.010 0.000 0.289 1090 H C 1.693 176.905 175.328 -0.194 0.000 0.995 1090 H CA 2.173 58.144 56.048 -0.128 0.000 1.461 1090 H CB 0.079 29.820 29.762 -0.035 0.000 1.510 1090 H HN 2.318 nan 8.280 nan 0.000 0.546 1091 G N 3.038 111.513 108.800 -0.541 0.000 2.179 1091 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.260 1091 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.260 1091 G C 0.856 175.531 174.900 -0.375 0.000 0.977 1091 G CA 0.268 45.111 45.100 -0.428 0.000 0.641 1091 G HN 1.052 nan 8.290 nan 0.000 0.533 1092 G N 0.738 109.305 108.800 -0.389 0.000 3.213 1092 G HA2 0.501 4.455 3.960 -0.010 0.000 0.263 1092 G HA3 0.501 4.455 3.960 -0.010 0.000 0.263 1092 G C 0.937 175.511 174.900 -0.543 0.000 0.829 1092 G CA 1.165 46.015 45.100 -0.416 0.000 1.983 1092 G HN 1.242 nan 8.290 nan 0.000 0.616 1093 T N -2.713 111.429 114.554 -0.685 0.000 3.084 1093 T HA 0.403 4.747 4.350 -0.010 0.000 0.270 1093 T C 2.109 176.326 174.700 -0.805 0.000 1.008 1093 T CA 0.715 62.187 62.100 -1.046 0.000 0.900 1093 T CB 0.875 69.220 68.868 -0.871 0.000 1.084 1093 T HN 0.283 nan 8.240 nan 0.000 0.538 1094 A N 1.791 124.103 122.820 -0.846 0.000 2.032 1094 A HA 0.152 4.466 4.320 -0.010 0.000 0.221 1094 A C 2.011 179.214 177.584 -0.635 0.000 1.165 1094 A CA 1.153 52.657 52.037 -0.889 0.000 0.645 1094 A CB -0.676 17.242 19.000 -1.802 0.000 0.807 1094 A HN 0.612 nan 8.150 nan 0.000 0.453 1095 L N -1.160 119.733 121.223 -0.550 0.000 2.640 1095 L HA 0.139 4.473 4.340 -0.010 0.000 0.230 1095 L C 0.052 176.895 176.870 -0.045 0.000 1.123 1095 L CA -0.573 54.107 54.840 -0.267 0.000 0.900 1095 L CB -0.229 41.648 42.059 -0.304 0.000 1.146 1095 L HN 0.248 nan 8.230 nan 0.000 0.484 1096 H N 0.886 119.824 119.070 -0.220 0.000 3.004 1096 H HA 0.281 4.831 4.556 -0.010 0.000 0.316 1096 H C 1.203 176.473 175.328 -0.096 0.000 1.014 1096 H CA 0.551 56.508 56.048 -0.151 0.000 1.454 1096 H CB 0.638 30.311 29.762 -0.148 0.000 1.472 1096 H HN 0.266 nan 8.280 nan 0.000 0.571 1097 G N 2.671 111.477 108.800 0.011 0.000 2.232 1097 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.226 1097 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.226 1097 G C 0.433 175.370 174.900 0.062 0.000 0.996 1097 G CA -0.006 45.112 45.100 0.031 0.000 0.626 1097 G HN 0.549 nan 8.290 nan 0.000 0.509 1098 K N 0.626 121.047 120.400 0.036 0.000 2.102 1098 K HA 0.604 4.918 4.320 -0.010 0.000 0.244 1098 K C -0.054 176.533 176.600 -0.021 0.000 1.021 1098 K CA -0.489 55.853 56.287 0.092 0.000 0.913 1098 K CB 0.546 33.078 32.500 0.053 0.000 1.062 1098 K HN 0.415 nan 8.250 nan 0.000 0.485 1099 H N 0.196 119.228 119.070 -0.063 0.000 2.621 1099 H HA 0.400 4.950 4.556 -0.010 0.000 0.360 1099 H C -1.162 174.028 175.328 -0.231 0.000 1.163 1099 H CA -0.947 55.028 56.048 -0.122 0.000 1.194 1099 H CB 1.933 31.600 29.762 -0.158 0.000 1.649 1099 H HN 0.191 nan 8.280 nan 0.000 0.532 1100 L N 3.063 124.203 121.223 -0.138 0.000 2.409 1100 L HA 0.335 4.669 4.340 -0.010 0.000 0.272 1100 L C -1.837 174.822 176.870 -0.352 0.000 0.980 1100 L CA -0.750 53.929 54.840 -0.267 0.000 0.826 1100 L CB 1.657 43.562 42.059 -0.257 0.000 1.268 1100 L HN 0.399 nan 8.230 nan 0.000 0.407 1101 L N 4.848 125.860 121.223 -0.350 0.000 2.322 1101 L HA 0.593 4.927 4.340 -0.010 0.000 0.281 1101 L C -1.641 175.164 176.870 -0.109 0.000 1.014 1101 L CA -0.108 54.553 54.840 -0.298 0.000 0.815 1101 L CB 1.538 43.474 42.059 -0.205 0.000 1.247 1101 L HN 0.782 nan 8.230 nan 0.000 0.421 1102 W N 6.063 127.157 121.300 -0.343 0.000 2.316 1102 W HA 0.688 5.342 4.660 -0.010 0.000 0.308 1102 W C -0.892 175.661 176.519 0.057 0.000 1.106 1102 W CA -1.291 56.048 57.345 -0.011 0.000 1.262 1102 W CB 1.226 30.738 29.460 0.087 0.000 1.233 1102 W HN 0.740 nan 8.180 nan 0.000 0.447 1103 A N 6.595 129.449 122.820 0.057 0.000 2.360 1103 A HA 0.612 4.925 4.320 -0.010 0.000 0.309 1103 A C -1.804 175.566 177.584 -0.357 0.000 1.311 1103 A CA -0.596 51.389 52.037 -0.086 0.000 0.805 1103 A CB 0.994 19.976 19.000 -0.030 0.000 1.144 1103 A HN 0.614 nan 8.150 nan 0.000 0.486 1104 V N 3.057 122.605 119.914 -0.610 0.000 2.823 1104 V HA 0.866 4.980 4.120 -0.010 0.000 0.312 1104 V C -0.012 175.764 176.094 -0.531 0.000 1.072 1104 V CA 0.153 61.999 62.300 -0.756 0.000 0.937 1104 V CB 2.473 33.592 31.823 -1.175 0.000 1.013 1104 V HN 1.107 nan 8.190 nan 0.000 0.430 1105 T N 1.824 116.146 114.554 -0.387 0.000 2.855 1105 T HA 0.805 5.149 4.350 -0.010 0.000 0.281 1105 T C -0.312 174.249 174.700 -0.233 0.000 1.007 1105 T CA -0.142 61.780 62.100 -0.297 0.000 1.009 1105 T CB 1.530 70.301 68.868 -0.162 0.000 0.983 1105 T HN 1.140 nan 8.240 nan 0.000 0.455 1106 T N -1.051 113.365 114.554 -0.229 0.000 2.900 1106 T HA 0.644 4.988 4.350 -0.010 0.000 0.295 1106 T C 1.311 175.822 174.700 -0.314 0.000 1.044 1106 T CA -0.359 61.661 62.100 -0.133 0.000 0.995 1106 T CB 1.531 70.500 68.868 0.168 0.000 1.072 1106 T HN 0.753 nan 8.240 nan 0.000 0.473 1107 G N 1.183 109.594 108.800 -0.648 0.000 2.394 1107 G HA2 0.357 4.311 3.960 -0.010 0.000 0.215 1107 G HA3 0.357 4.311 3.960 -0.010 0.000 0.215 1107 G C 0.771 174.957 174.900 -1.190 0.000 1.165 1107 G CA 0.203 44.324 45.100 -1.632 0.000 0.784 1107 G HN 1.121 nan 8.290 nan 0.000 0.535 1108 G N -0.575 107.857 108.800 -0.614 0.000 2.562 1108 G HA2 0.511 4.465 3.960 -0.010 0.000 0.275 1108 G HA3 0.511 4.465 3.960 -0.010 0.000 0.275 1108 G C 0.233 175.111 174.900 -0.037 0.000 1.196 1108 G CA 0.131 45.062 45.100 -0.282 0.000 0.908 1108 G HN 0.439 nan 8.290 nan 0.000 0.524 1109 G N -1.370 107.413 108.800 -0.029 0.000 2.511 1109 G HA2 0.384 4.338 3.960 -0.010 0.000 0.316 1109 G HA3 0.384 4.338 3.960 -0.010 0.000 0.316 1109 G C 0.768 175.637 174.900 -0.051 0.000 1.210 1109 G CA -0.247 44.834 45.100 -0.032 0.000 0.969 1109 G HN 0.515 nan 8.290 nan 0.000 0.492 1110 E N -0.050 120.014 120.200 -0.226 0.000 2.136 1110 E HA -0.250 4.094 4.350 -0.010 0.000 0.202 1110 E C 2.792 179.479 176.600 0.144 0.000 1.019 1110 E CA 2.039 58.370 56.400 -0.116 0.000 0.819 1110 E CB -0.240 29.373 29.700 -0.145 0.000 0.739 1110 E HN 0.508 nan 8.360 nan 0.000 0.458 1111 S N 0.044 115.781 115.700 0.061 0.000 2.447 1111 S HA -0.175 4.289 4.470 -0.010 0.000 0.233 1111 S C 1.868 176.503 174.600 0.060 0.000 1.006 1111 S CA 1.143 59.383 58.200 0.066 0.000 0.957 1111 S CB -0.582 62.643 63.200 0.041 0.000 0.773 1111 S HN 0.415 nan 8.310 nan 0.000 0.507 1112 H N 0.512 119.506 119.070 -0.127 0.000 2.491 1112 H HA -0.003 4.547 4.556 -0.010 0.000 0.290 1112 H C 0.807 175.956 175.328 -0.298 0.000 1.050 1112 H CA 1.141 57.025 56.048 -0.273 0.000 1.309 1112 H CB -0.169 29.308 29.762 -0.474 0.000 1.392 1112 H HN 0.560 nan 8.280 nan 0.000 0.554 1113 F N 0.858 120.798 119.950 -0.017 0.000 2.789 1113 F HA 0.110 4.631 4.527 -0.010 0.000 0.300 1113 F C 0.711 176.506 175.800 -0.008 0.000 1.132 1113 F CA -0.064 57.930 58.000 -0.010 0.000 1.404 1113 F CB 0.304 39.418 39.000 0.190 0.000 1.114 1113 F HN 0.013 nan 8.300 nan 0.000 0.584 1114 E N 1.997 122.261 120.200 0.107 0.000 1.791 1114 E HA 0.380 4.723 4.350 -0.010 0.000 0.263 1114 E C -0.493 176.115 176.600 0.012 0.000 1.213 1114 E CA 0.159 56.600 56.400 0.068 0.000 0.991 1114 E CB 0.117 29.855 29.700 0.065 0.000 1.068 1114 E HN 0.272 nan 8.360 nan 0.000 0.417 1115 I N 1.089 121.657 120.570 -0.003 0.000 2.882 1115 I HA 0.536 4.700 4.170 -0.010 0.000 0.298 1115 I C 0.063 176.155 176.117 -0.043 0.000 1.462 1115 I CA -0.027 61.247 61.300 -0.043 0.000 1.000 1115 I CB 1.375 39.312 38.000 -0.106 0.000 1.340 1115 I HN 0.590 nan 8.210 nan 0.000 0.462 1116 G N 3.370 112.141 108.800 -0.048 0.000 2.698 1116 G HA2 -0.087 3.867 3.960 -0.010 0.000 0.233 1116 G HA3 -0.087 3.867 3.960 -0.010 0.000 0.233 1116 G C 0.555 175.415 174.900 -0.066 0.000 1.352 1116 G CA 0.121 45.191 45.100 -0.048 0.000 0.879 1116 G HN 1.522 nan 8.290 nan 0.000 0.567 1117 A N -1.474 121.288 122.820 -0.097 0.000 2.014 1117 A HA 0.318 4.632 4.320 -0.010 0.000 0.218 1117 A C 1.218 178.512 177.584 -0.483 0.000 1.163 1117 A CA 2.209 54.079 52.037 -0.278 0.000 0.652 1117 A CB -0.139 18.669 19.000 -0.321 0.000 0.808 1117 A HN 1.117 nan 8.150 nan 0.000 0.449 1118 H N -0.318 118.745 119.070 -0.011 0.000 2.348 1118 H HA 0.320 4.869 4.556 -0.010 0.000 0.232 1118 H C -2.668 172.666 175.328 0.010 0.000 1.419 1118 H CA -1.833 54.214 56.048 -0.002 0.000 1.416 1118 H CB 0.254 30.010 29.762 -0.010 0.000 1.510 1118 H HN 0.312 nan 8.280 nan 0.000 0.507 1119 P HA 0.341 nan 4.420 nan 0.000 0.272 1119 P C 0.487 177.859 177.300 0.120 0.000 1.240 1119 P CA 0.111 63.261 63.100 0.084 0.000 0.791 1119 P CB 1.105 32.837 31.700 0.053 0.000 0.978 1120 G N 0.045 108.946 108.800 0.168 0.000 3.069 1120 G HA2 -0.195 3.759 3.960 -0.010 0.000 0.686 1120 G HA3 -0.195 3.759 3.960 -0.010 0.000 0.686 1120 G C -0.129 174.892 174.900 0.201 0.000 1.161 1120 G CA -0.347 44.870 45.100 0.195 0.000 0.804 1120 G HN 0.408 nan 8.290 nan 0.000 0.608 1121 F N 1.493 121.483 119.950 0.067 0.000 2.154 1121 F HA -0.081 4.440 4.527 -0.010 0.000 0.301 1121 F C 2.141 177.962 175.800 0.036 0.000 1.087 1121 F CA 2.506 60.427 58.000 -0.131 0.000 1.274 1121 F CB 0.153 38.975 39.000 -0.297 0.000 1.009 1121 F HN 0.515 nan 8.300 nan 0.000 0.485 1122 D N -0.208 120.262 120.400 0.118 0.000 2.218 1122 D HA -0.147 4.487 4.640 -0.010 0.000 0.204 1122 D C 2.473 178.780 176.300 0.013 0.000 0.976 1122 D CA 1.167 55.231 54.000 0.106 0.000 0.853 1122 D CB -0.329 40.583 40.800 0.188 0.000 0.939 1122 D HN 0.231 nan 8.370 nan 0.000 0.481 1123 V N 0.758 120.668 119.914 -0.007 0.000 2.490 1123 V HA -0.193 3.921 4.120 -0.010 0.000 0.250 1123 V C 2.420 178.461 176.094 -0.088 0.000 1.061 1123 V CA 0.948 63.231 62.300 -0.030 0.000 1.064 1123 V CB -0.345 31.489 31.823 0.019 0.000 0.670 1123 V HN 0.255 nan 8.190 nan 0.000 0.461 1124 L N 0.834 121.980 121.223 -0.128 0.000 2.362 1124 L HA -0.108 4.226 4.340 -0.010 0.000 0.219 1124 L C 2.544 179.299 176.870 -0.192 0.000 1.134 1124 L CA 1.434 56.198 54.840 -0.125 0.000 0.807 1124 L CB -0.733 41.249 42.059 -0.130 0.000 0.927 1124 L HN 0.536 nan 8.230 nan 0.000 0.447 1125 S N -0.843 114.756 115.700 -0.167 0.000 2.507 1125 S HA -0.215 4.249 4.470 -0.010 0.000 0.235 1125 S C 1.867 176.207 174.600 -0.433 0.000 0.988 1125 S CA 0.870 58.880 58.200 -0.317 0.000 0.944 1125 S CB -0.135 63.181 63.200 0.193 0.000 0.762 1125 S HN 0.385 nan 8.310 nan 0.000 0.526 1126 Q N 3.041 122.659 119.800 -0.302 0.000 2.045 1126 Q HA -0.014 4.320 4.340 -0.010 0.000 0.206 1126 Q C -0.795 175.018 176.000 -0.312 0.000 0.991 1126 Q CA 2.347 57.968 55.803 -0.302 0.000 0.851 1126 Q CB -1.563 27.050 28.738 -0.208 0.000 0.911 1126 Q HN 0.467 nan 8.270 nan 0.000 0.418 1127 P HA -0.126 nan 4.420 nan 0.000 0.218 1127 P C 0.988 178.165 177.300 -0.204 0.000 1.148 1127 P CA 1.210 64.186 63.100 -0.206 0.000 0.822 1127 P CB -0.112 31.486 31.700 -0.169 0.000 0.784 1128 L N -0.686 120.364 121.223 -0.289 0.000 2.072 1128 L HA -0.135 4.199 4.340 -0.010 0.000 0.205 1128 L C 2.896 179.622 176.870 -0.240 0.000 1.079 1128 L CA 1.440 56.202 54.840 -0.130 0.000 0.752 1128 L CB -1.007 40.936 42.059 -0.194 0.000 0.906 1128 L HN 0.029 nan 8.230 nan 0.000 0.436 1129 Q N 0.590 119.870 119.800 -0.866 0.000 2.084 1129 Q HA -0.207 4.127 4.340 -0.010 0.000 0.202 1129 Q C 2.266 178.015 176.000 -0.418 0.000 0.978 1129 Q CA 1.808 56.913 55.803 -1.163 0.000 0.844 1129 Q CB -0.080 27.682 28.738 -1.627 0.000 0.898 1129 Q HN 0.449 nan 8.270 nan 0.000 0.426 1130 A N 0.253 122.896 122.820 -0.295 0.000 1.933 1130 A HA -0.174 4.140 4.320 -0.010 0.000 0.218 1130 A C 2.234 179.821 177.584 0.004 0.000 1.175 1130 A CA 1.925 53.886 52.037 -0.128 0.000 0.628 1130 A CB -1.016 17.901 19.000 -0.138 0.000 0.814 1130 A HN 0.527 nan 8.150 nan 0.000 0.444 1131 T N 0.245 114.829 114.554 0.050 0.000 2.674 1131 T HA -0.015 4.329 4.350 -0.010 0.000 0.265 1131 T C 2.282 177.195 174.700 0.354 0.000 1.039 1131 T CA 1.689 63.924 62.100 0.225 0.000 1.150 1131 T CB -0.521 68.534 68.868 0.312 0.000 0.864 1131 T HN 0.605 nan 8.240 nan 0.000 0.427 1132 A N 1.087 124.103 122.820 0.327 0.000 1.883 1132 A HA -0.052 4.262 4.320 -0.010 0.000 0.217 1132 A C 2.310 179.988 177.584 0.156 0.000 1.186 1132 A CA 1.391 53.599 52.037 0.285 0.000 0.624 1132 A CB -0.847 18.327 19.000 0.289 0.000 0.822 1132 A HN 0.527 nan 8.150 nan 0.000 0.444 1133 I N -2.381 118.247 120.570 0.097 0.000 2.252 1133 I HA -0.239 3.925 4.170 -0.010 0.000 0.245 1133 I C 2.429 178.576 176.117 0.051 0.000 1.102 1133 I CA 1.531 62.856 61.300 0.042 0.000 1.385 1133 I CB -0.352 37.648 38.000 0.001 0.000 1.064 1133 I HN 0.521 nan 8.210 nan 0.000 0.414 1134 Y N 0.719 121.015 120.300 -0.006 0.000 2.224 1134 Y HA -0.296 4.248 4.550 -0.010 0.000 0.289 1134 Y C 2.471 178.386 175.900 0.024 0.000 1.146 1134 Y CA 1.573 59.670 58.100 -0.004 0.000 1.182 1134 Y CB -0.056 38.392 38.460 -0.019 0.000 0.983 1134 Y HN 0.189 nan 8.280 nan 0.000 0.524 1135 C N 0.177 119.547 119.300 0.116 0.000 2.626 1135 C HA 0.381 4.835 4.460 -0.010 0.000 0.266 1135 C C 1.738 176.712 174.990 -0.027 0.000 1.317 1135 C CA 0.741 59.777 59.018 0.031 0.000 1.716 1135 C CB -0.985 26.713 27.740 -0.071 0.000 1.819 1135 C HN 0.883 nan 8.230 nan 0.000 0.578 1136 G N 0.757 109.493 108.800 -0.107 0.000 2.132 1136 G HA2 -0.220 3.734 3.960 -0.010 0.000 0.234 1136 G HA3 -0.220 3.734 3.960 -0.010 0.000 0.234 1136 G C -0.035 174.758 174.900 -0.178 0.000 0.989 1136 G CA -0.226 44.703 45.100 -0.285 0.000 0.676 1136 G HN 0.515 nan 8.290 nan 0.000 0.522 1137 L N 0.025 121.198 121.223 -0.083 0.000 2.418 1137 L HA 0.395 4.729 4.340 -0.010 0.000 0.265 1137 L C 0.787 177.611 176.870 -0.076 0.000 1.143 1137 L CA -0.772 54.026 54.840 -0.070 0.000 0.809 1137 L CB 0.896 42.950 42.059 -0.007 0.000 1.124 1137 L HN 0.234 nan 8.230 nan 0.000 0.456 1138 N N 1.896 120.493 118.700 -0.173 0.000 2.414 1138 N HA 0.073 4.807 4.740 -0.010 0.000 0.256 1138 N C -0.990 174.524 175.510 0.008 0.000 1.029 1138 N CA -0.498 52.458 53.050 -0.157 0.000 0.948 1138 N CB 0.702 38.908 38.487 -0.468 0.000 1.102 1138 N HN 0.449 nan 8.380 nan 0.000 0.496 1139 W N 7.215 128.482 121.300 -0.054 0.000 2.316 1139 W HA 0.345 4.998 4.660 -0.010 0.000 0.311 1139 W C -1.408 175.152 176.519 0.067 0.000 1.217 1139 W CA -0.584 56.761 57.345 0.000 0.000 1.199 1139 W CB 0.428 29.898 29.460 0.016 0.000 1.202 1139 W HN 0.367 nan 8.180 nan 0.000 0.528 1140 L N 7.477 128.470 121.223 -0.382 0.000 2.375 1140 L HA 0.359 4.693 4.340 -0.010 0.000 0.268 1140 L C -1.755 174.893 176.870 -0.370 0.000 1.058 1140 L CA -2.276 52.430 54.840 -0.223 0.000 0.803 1140 L CB 0.787 42.774 42.059 -0.121 0.000 1.212 1140 L HN 0.261 nan 8.230 nan 0.000 0.451 1141 P HA 0.070 nan 4.420 nan 0.000 0.263 1141 P C -2.424 174.864 177.300 -0.021 0.000 1.195 1141 P CA -0.598 62.525 63.100 0.037 0.000 0.762 1141 P CB -0.147 31.618 31.700 0.108 0.000 0.799 1142 P HA 0.062 nan 4.420 nan 0.000 0.269 1142 P C -0.724 176.611 177.300 0.058 0.000 1.215 1142 P CA 0.035 63.172 63.100 0.062 0.000 0.780 1142 P CB 0.302 32.191 31.700 0.315 0.000 0.898 1143 F N 2.013 121.893 119.950 -0.117 0.000 2.405 1143 F HA 0.597 5.117 4.527 -0.010 0.000 0.355 1143 F C -0.616 175.003 175.800 -0.302 0.000 1.121 1143 F CA -0.448 57.453 58.000 -0.164 0.000 1.112 1143 F CB 0.452 39.381 39.000 -0.119 0.000 1.126 1143 F HN 0.309 nan 8.300 nan 0.000 0.481 1144 A N 8.378 130.577 122.820 -1.035 0.000 2.353 1144 A HA 0.575 4.889 4.320 -0.010 0.000 0.299 1144 A C -1.170 175.649 177.584 -1.275 0.000 1.089 1144 A CA -0.756 50.638 52.037 -1.071 0.000 0.736 1144 A CB 1.114 19.558 19.000 -0.927 0.000 1.195 1144 A HN 0.874 nan 8.150 nan 0.000 0.447 1145 M N 4.640 123.612 119.600 -1.047 0.000 2.066 1145 M HA 0.378 4.852 4.480 -0.010 0.000 0.340 1145 M C -0.980 174.928 176.300 -0.653 0.000 1.053 1145 M CA -0.369 54.504 55.300 -0.712 0.000 0.983 1145 M CB 0.400 32.785 32.600 -0.358 0.000 1.520 1145 M HN 0.872 nan 8.290 nan 0.000 0.428 1146 H N 2.543 121.424 119.070 -0.316 0.000 2.523 1146 H HA 0.337 4.887 4.556 -0.010 0.000 0.345 1146 H C 0.830 176.059 175.328 -0.166 0.000 1.261 1146 H CA -0.453 55.448 56.048 -0.244 0.000 1.343 1146 H CB 1.125 30.758 29.762 -0.214 0.000 1.650 1146 H HN 1.020 nan 8.280 nan 0.000 0.591 1147 C N 0.834 120.134 119.300 -0.001 0.000 4.356 1147 C HA -0.188 4.266 4.460 -0.010 0.000 0.296 1147 C C 2.291 177.258 174.990 -0.039 0.000 1.424 1147 C CA 1.081 60.081 59.018 -0.031 0.000 2.000 1147 C CB -3.207 24.540 27.740 0.013 0.000 1.262 1147 C HN 1.020 nan 8.230 nan 0.000 0.789 1148 T N -3.206 111.282 114.554 -0.109 0.000 2.929 1148 T HA -0.126 4.217 4.350 -0.010 0.000 0.271 1148 T C 1.203 175.944 174.700 0.069 0.000 1.085 1148 T CA 1.699 63.771 62.100 -0.046 0.000 1.125 1148 T CB -0.272 68.555 68.868 -0.069 0.000 0.874 1148 T HN 0.403 nan 8.240 nan 0.000 0.494 1149 F N 2.723 122.660 119.950 -0.021 0.000 2.095 1149 F HA 0.133 4.654 4.527 -0.010 0.000 0.298 1149 F C 1.950 177.728 175.800 -0.036 0.000 1.104 1149 F CA 0.212 58.190 58.000 -0.036 0.000 1.232 1149 F CB -0.640 38.322 39.000 -0.063 0.000 0.987 1149 F HN 0.392 nan 8.300 nan 0.000 0.475 1150 I N -3.196 117.477 120.570 0.172 0.000 3.805 1150 I HA 0.274 4.438 4.170 -0.010 0.000 0.337 1150 I C -0.047 176.095 176.117 0.043 0.000 1.539 1150 I CA -0.480 60.866 61.300 0.078 0.000 1.176 1150 I CB -0.305 37.730 38.000 0.059 0.000 1.248 1150 I HN -0.105 nan 8.210 nan 0.000 0.437 1151 C N 2.390 121.715 119.300 0.041 0.000 2.464 1151 C HA 0.220 4.674 4.460 -0.010 0.000 0.370 1151 C C 0.677 175.669 174.990 0.003 0.000 1.267 1151 C CA -0.147 58.881 59.018 0.018 0.000 1.781 1151 C CB -0.849 26.900 27.740 0.015 0.000 2.431 1151 C HN 0.532 nan 8.230 nan 0.000 0.556 1152 D N 3.244 123.645 120.400 0.002 0.000 2.488 1152 D HA -0.025 4.609 4.640 -0.010 0.000 0.238 1152 D C 0.985 177.283 176.300 -0.003 0.000 1.138 1152 D CA 0.554 54.552 54.000 -0.003 0.000 0.873 1152 D CB 0.717 41.517 40.800 0.001 0.000 1.183 1152 D HN 0.723 nan 8.370 nan 0.000 0.458 1153 D N 2.021 122.415 120.400 -0.009 0.000 2.218 1153 D HA -0.154 4.480 4.640 -0.010 0.000 0.204 1153 D C 1.529 177.832 176.300 0.005 0.000 0.976 1153 D CA 1.069 55.066 54.000 -0.006 0.000 0.853 1153 D CB 0.208 41.000 40.800 -0.013 0.000 0.939 1153 D HN 0.595 nan 8.370 nan 0.000 0.481 1154 E N -1.146 119.056 120.200 0.004 0.000 2.106 1154 E HA -0.139 4.205 4.350 -0.010 0.000 0.192 1154 E C 1.517 178.127 176.600 0.016 0.000 0.984 1154 E CA 1.348 57.754 56.400 0.009 0.000 0.806 1154 E CB 0.154 29.857 29.700 0.006 0.000 0.750 1154 E HN 0.266 nan 8.360 nan 0.000 0.458 1155 T N 0.956 115.518 114.554 0.014 0.000 2.851 1155 T HA -0.100 4.244 4.350 -0.010 0.000 0.262 1155 T C 1.702 176.420 174.700 0.030 0.000 1.043 1155 T CA 0.452 62.564 62.100 0.020 0.000 1.140 1155 T CB -0.160 68.716 68.868 0.012 0.000 0.872 1155 T HN 0.057 nan 8.240 nan 0.000 0.446 1156 L N 1.421 122.659 121.223 0.025 0.000 2.079 1156 L HA -0.057 4.277 4.340 -0.010 0.000 0.210 1156 L C 2.490 179.387 176.870 0.046 0.000 1.081 1156 L CA 1.693 56.554 54.840 0.035 0.000 0.752 1156 L CB -0.584 41.493 42.059 0.030 0.000 0.896 1156 L HN 0.129 nan 8.230 nan 0.000 0.433 1157 E N -0.837 119.386 120.200 0.039 0.000 2.046 1157 E HA -0.104 4.240 4.350 -0.010 0.000 0.190 1157 E C 2.069 178.704 176.600 0.058 0.000 0.982 1157 E CA 1.151 57.575 56.400 0.041 0.000 0.800 1157 E CB -0.416 29.300 29.700 0.028 0.000 0.756 1157 E HN 0.547 nan 8.360 nan 0.000 0.449 1158 G N 1.086 109.923 108.800 0.061 0.000 2.402 1158 G HA2 -0.246 3.708 3.960 -0.010 0.000 0.216 1158 G HA3 -0.246 3.708 3.960 -0.010 0.000 0.216 1158 G C 1.550 176.533 174.900 0.139 0.000 1.162 1158 G CA 0.335 45.482 45.100 0.079 0.000 0.777 1158 G HN 0.154 nan 8.290 nan 0.000 0.539 1159 Q N 0.514 120.401 119.800 0.144 0.000 2.050 1159 Q HA -0.063 4.271 4.340 -0.010 0.000 0.202 1159 Q C 3.049 179.222 176.000 0.288 0.000 0.980 1159 Q CA 1.490 57.439 55.803 0.243 0.000 0.840 1159 Q CB -0.679 28.153 28.738 0.156 0.000 0.898 1159 Q HN 0.434 nan 8.270 nan 0.000 0.424 1160 A N 1.364 124.278 122.820 0.157 0.000 1.908 1160 A HA -0.215 4.099 4.320 -0.010 0.000 0.218 1160 A C 2.137 179.776 177.584 0.092 0.000 1.181 1160 A CA 1.512 53.610 52.037 0.102 0.000 0.627 1160 A CB -0.444 18.592 19.000 0.060 0.000 0.818 1160 A HN 0.275 nan 8.150 nan 0.000 0.445 1161 R N -1.917 118.642 120.500 0.098 0.000 2.115 1161 R HA -0.108 4.226 4.340 -0.010 0.000 0.226 1161 R C 2.229 178.598 176.300 0.114 0.000 1.100 1161 R CA 1.326 57.470 56.100 0.074 0.000 0.980 1161 R CB -0.474 29.862 30.300 0.061 0.000 0.875 1161 R HN 0.753 nan 8.270 nan 0.000 0.445 1162 H N 0.190 119.313 119.070 0.087 0.000 2.421 1162 H HA -0.173 4.377 4.556 -0.010 0.000 0.298 1162 H C 1.698 177.060 175.328 0.057 0.000 1.087 1162 H CA 1.332 57.458 56.048 0.130 0.000 1.330 1162 H CB -0.288 29.616 29.762 0.237 0.000 1.388 1162 H HN 0.198 nan 8.280 nan 0.000 0.526 1163 Y N 1.776 121.793 120.300 -0.471 0.000 2.097 1163 Y HA -0.208 4.336 4.550 -0.010 0.000 0.282 1163 Y C 2.633 178.227 175.900 -0.510 0.000 1.152 1163 Y CA 2.392 59.879 58.100 -1.022 0.000 1.136 1163 Y CB -0.593 37.189 38.460 -1.129 0.000 0.975 1163 Y HN 0.223 nan 8.280 nan 0.000 0.498 1164 K N -0.308 119.859 120.400 -0.388 0.000 2.074 1164 K HA -0.336 3.978 4.320 -0.010 0.000 0.209 1164 K C 2.233 178.699 176.600 -0.224 0.000 1.048 1164 K CA 2.025 58.109 56.287 -0.339 0.000 0.926 1164 K CB -0.236 32.165 32.500 -0.164 0.000 0.713 1164 K HN 0.345 nan 8.250 nan 0.000 0.444 1165 Q N 0.738 120.475 119.800 -0.106 0.000 2.050 1165 Q HA -0.110 4.224 4.340 -0.010 0.000 0.202 1165 Q C 2.034 178.023 176.000 -0.017 0.000 0.980 1165 Q CA 1.521 57.328 55.803 0.006 0.000 0.840 1165 Q CB -0.094 28.744 28.738 0.168 0.000 0.898 1165 Q HN 0.182 nan 8.270 nan 0.000 0.424 1166 R N -0.016 120.419 120.500 -0.108 0.000 2.113 1166 R HA -0.157 4.177 4.340 -0.010 0.000 0.244 1166 R C 2.316 178.565 176.300 -0.086 0.000 1.142 1166 R CA 1.497 57.538 56.100 -0.098 0.000 0.953 1166 R CB -1.148 29.036 30.300 -0.194 0.000 0.860 1166 R HN 0.385 nan 8.270 nan 0.000 0.438 1167 L N 0.050 121.131 121.223 -0.237 0.000 1.994 1167 L HA -0.199 4.135 4.340 -0.010 0.000 0.208 1167 L C 2.471 179.326 176.870 -0.024 0.000 1.071 1167 L CA 0.819 55.542 54.840 -0.195 0.000 0.745 1167 L CB -0.610 41.204 42.059 -0.409 0.000 0.892 1167 L HN 0.128 nan 8.230 nan 0.000 0.431 1168 L N 0.325 121.514 121.223 -0.055 0.000 2.012 1168 L HA -0.244 4.090 4.340 -0.010 0.000 0.210 1168 L C 2.403 179.289 176.870 0.028 0.000 1.073 1168 L CA 1.847 56.682 54.840 -0.008 0.000 0.748 1168 L CB -0.606 41.437 42.059 -0.026 0.000 0.891 1168 L HN 0.221 nan 8.230 nan 0.000 0.431 1169 E N -1.850 118.373 120.200 0.039 0.000 2.118 1169 E HA -0.302 4.042 4.350 -0.010 0.000 0.195 1169 E C 1.863 178.504 176.600 0.069 0.000 0.992 1169 E CA 1.609 58.037 56.400 0.047 0.000 0.804 1169 E CB -0.419 29.322 29.700 0.069 0.000 0.741 1169 E HN 0.692 nan 8.360 nan 0.000 0.458 1170 W N 1.761 123.043 121.300 -0.029 0.000 2.388 1170 W HA -0.174 4.480 4.660 -0.010 0.000 0.294 1170 W C 2.003 178.548 176.519 0.043 0.000 1.212 1170 W CA 1.363 58.703 57.345 -0.007 0.000 1.271 1170 W CB 0.096 29.486 29.460 -0.118 0.000 1.126 1170 W HN 0.007 nan 8.180 nan 0.000 0.535 1171 Q N 0.085 119.954 119.800 0.116 0.000 2.050 1171 Q HA -0.243 4.091 4.340 -0.010 0.000 0.202 1171 Q C 1.999 177.894 176.000 -0.175 0.000 0.980 1171 Q CA 2.078 57.861 55.803 -0.034 0.000 0.840 1171 Q CB -0.492 28.299 28.738 0.087 0.000 0.898 1171 Q HN 0.426 nan 8.270 nan 0.000 0.424 1172 E N 0.334 120.467 120.200 -0.112 0.000 2.204 1172 E HA -0.152 4.192 4.350 -0.010 0.000 0.195 1172 E C 1.627 178.109 176.600 -0.198 0.000 0.990 1172 E CA 0.834 57.160 56.400 -0.123 0.000 0.821 1172 E CB -0.036 29.618 29.700 -0.076 0.000 0.750 1172 E HN 0.320 nan 8.360 nan 0.000 0.477 1173 A N 0.285 122.940 122.820 -0.275 0.000 2.169 1173 A HA 0.026 4.340 4.320 -0.010 0.000 0.212 1173 A C 0.284 177.416 177.584 -0.753 0.000 1.153 1173 A CA 0.684 52.462 52.037 -0.432 0.000 0.756 1173 A CB -0.054 18.707 19.000 -0.398 0.000 0.813 1173 A HN 0.147 nan 8.150 nan 0.000 0.471 1174 H N 0.000 118.711 119.070 -0.598 0.000 2.539 1174 H HA 0.000 4.550 4.556 -0.010 0.000 0.296 1174 H CA 0.000 55.681 56.048 -0.612 0.000 1.023 1174 H CB 0.000 29.053 29.762 -1.182 0.000 1.292 1174 H HN 0.000 nan 8.280 nan 0.000 0.496