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 3l9w_1_B DATA FIRST_RESID 399 DATA SEQUENCE GMRVIIAGFG RFGQITGRLL LSSGVKMVVL DHDPDHIETL RKFGMKVFYG DATA SEQUENCE DATRMDLLES AGAAKAEVLI NAIDDPQTNL QLTEMVKEHF PHLQIIARAR DATA SEQUENCE DVDHYIRLRQ AGVEKPERET FEGALKTGRL ALESLGLGPY EARERADVFR DATA SEQUENCE RFNIQMVEEM AMVENDTKAR AAVYKRTSAM LSXXXXXXXX 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 XGMILIIYAH PYPHHSHANK RMLEQARTLE GVEIRSLYQL YPDFNIDIAA DATA SEQUENCE EQEALSRADL IVWQHPMQWY SIPPLLKLWI DKVFSHGWAY GHGGTALHGK DATA SEQUENCE HLLWAVTTGG GESHFEIGAH PGFDVLSQPL QATAIYCGLN WLPPFAMHCT DATA SEQUENCE FICDDETLEG QARHYKQRLL EWQEAH 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 399 G HA2 0.000 nan 3.960 nan 0.000 0.244 399 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 399 G C 0.000 174.921 174.900 0.035 0.000 0.946 399 G CA 0.000 45.115 45.100 0.025 0.000 0.502 400 M N -0.009 119.605 119.600 0.023 0.000 2.388 400 M HA 0.110 4.590 4.480 -0.000 0.000 0.265 400 M C 2.406 178.708 176.300 0.003 0.000 1.088 400 M CA 1.055 56.363 55.300 0.012 0.000 1.134 400 M CB 0.192 32.799 32.600 0.012 0.000 1.384 400 M HN 0.440 nan 8.290 nan 0.000 0.447 401 R N -1.112 119.391 120.500 0.005 0.000 2.412 401 R HA 0.291 4.631 4.340 -0.000 0.000 0.212 401 R C -0.038 176.262 176.300 -0.000 0.000 0.878 401 R CA 0.117 56.218 56.100 0.002 0.000 1.022 401 R CB 1.132 31.437 30.300 0.007 0.000 1.265 401 R HN 0.059 nan 8.270 nan 0.000 0.620 402 V N 2.317 122.234 119.914 0.005 0.000 2.656 402 V HA 0.439 4.559 4.120 -0.000 0.000 0.307 402 V C -0.571 175.527 176.094 0.007 0.000 1.051 402 V CA -0.753 61.553 62.300 0.010 0.000 0.893 402 V CB 2.478 34.317 31.823 0.026 0.000 0.999 402 V HN 0.075 nan 8.190 nan 0.000 0.426 403 I N 5.077 125.644 120.570 -0.005 0.000 2.404 403 I HA 0.516 4.686 4.170 -0.000 0.000 0.293 403 I C -0.652 175.485 176.117 0.033 0.000 0.992 403 I CA -0.393 60.903 61.300 -0.006 0.000 1.149 403 I CB 1.868 39.828 38.000 -0.066 0.000 1.315 403 I HN 0.413 nan 8.210 nan 0.000 0.446 404 I N 5.534 126.144 120.570 0.068 0.000 2.362 404 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 404 I C 0.088 176.279 176.117 0.123 0.000 0.994 404 I CA -0.538 60.833 61.300 0.117 0.000 1.158 404 I CB 1.759 39.870 38.000 0.185 0.000 1.315 404 I HN 0.583 nan 8.210 nan 0.000 0.451 405 A N 5.280 128.166 122.820 0.111 0.000 2.253 405 A HA 0.783 5.103 4.320 -0.000 0.000 0.316 405 A C 0.354 178.025 177.584 0.145 0.000 1.327 405 A CA -0.132 51.969 52.037 0.107 0.000 0.917 405 A CB 0.353 19.392 19.000 0.064 0.000 1.162 405 A HN 1.081 nan 8.150 nan 0.000 0.535 406 G N 0.523 109.439 108.800 0.192 0.000 3.209 406 G HA2 0.025 3.984 3.960 -0.000 0.000 0.686 406 G HA3 0.025 3.984 3.960 -0.000 0.000 0.686 406 G C -0.653 174.432 174.900 0.309 0.000 1.065 406 G CA -0.245 44.990 45.100 0.225 0.000 0.812 406 G HN 1.395 nan 8.290 nan 0.000 0.573 407 F N 3.133 123.120 119.950 0.062 0.000 2.749 407 F HA 0.504 5.031 4.527 0.000 0.000 0.380 407 F C 1.284 176.854 175.800 -0.384 0.000 1.365 407 F CA 0.191 58.145 58.000 -0.076 0.000 1.186 407 F CB 0.191 39.170 39.000 -0.035 0.000 1.080 407 F HN 0.854 nan 8.300 nan 0.000 0.513 408 G N 0.620 109.321 108.800 -0.165 0.000 2.546 408 G HA2 0.120 4.079 3.960 -0.000 0.000 0.239 408 G HA3 0.120 4.079 3.960 -0.000 0.000 0.239 408 G C 0.952 175.752 174.900 -0.166 0.000 1.476 408 G CA -0.483 44.535 45.100 -0.137 0.000 1.064 408 G HN 0.351 nan 8.290 nan 0.000 0.561 409 R N -1.512 118.978 120.500 -0.017 0.000 2.103 409 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 409 R C 2.234 178.518 176.300 -0.027 0.000 1.142 409 R CA 1.655 57.741 56.100 -0.024 0.000 0.960 409 R CB -0.425 29.902 30.300 0.045 0.000 0.858 409 R HN 0.419 nan 8.270 nan 0.000 0.439 410 F N 0.534 120.430 119.950 -0.090 0.000 2.074 410 F HA 0.032 4.558 4.527 -0.001 0.000 0.293 410 F C 2.417 178.145 175.800 -0.120 0.000 1.116 410 F CA 1.820 59.779 58.000 -0.068 0.000 1.212 410 F CB -0.777 38.216 39.000 -0.011 0.000 0.998 410 F HN 0.009 nan 8.300 nan 0.000 0.471 411 G N -0.706 108.213 108.800 0.198 0.000 2.432 411 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 411 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 411 G C 1.479 176.173 174.900 -0.343 0.000 1.135 411 G CA 0.728 45.869 45.100 0.068 0.000 0.767 411 G HN 0.436 nan 8.290 nan 0.000 0.550 412 Q N -0.417 118.952 119.800 -0.718 0.000 2.050 412 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 412 Q C 2.613 178.336 176.000 -0.462 0.000 0.980 412 Q CA 0.883 56.074 55.803 -1.021 0.000 0.840 412 Q CB -0.153 28.106 28.738 -0.797 0.000 0.898 412 Q HN 0.385 nan 8.270 nan 0.000 0.424 413 I N 0.478 120.858 120.570 -0.316 0.000 2.202 413 I HA -0.216 3.953 4.170 -0.000 0.000 0.242 413 I C 2.199 178.193 176.117 -0.205 0.000 1.091 413 I CA 1.499 62.657 61.300 -0.236 0.000 1.368 413 I CB -1.390 36.465 38.000 -0.243 0.000 1.058 413 I HN 0.236 nan 8.210 nan 0.000 0.410 414 T N 0.842 115.270 114.554 -0.210 0.000 2.684 414 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 414 T C 1.945 176.615 174.700 -0.050 0.000 1.036 414 T CA 1.578 63.610 62.100 -0.115 0.000 1.148 414 T CB -0.805 68.041 68.868 -0.037 0.000 0.863 414 T HN 0.525 nan 8.240 nan 0.000 0.436 415 G N 1.282 110.073 108.800 -0.015 0.000 2.422 415 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 415 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 415 G C 1.674 176.533 174.900 -0.069 0.000 1.146 415 G CA 0.907 46.047 45.100 0.067 0.000 0.769 415 G HN 0.349 nan 8.290 nan 0.000 0.547 416 R N 0.048 120.449 120.500 -0.165 0.000 2.092 416 R HA 0.065 4.405 4.340 -0.000 0.000 0.231 416 R C 2.333 178.551 176.300 -0.136 0.000 1.119 416 R CA 1.082 57.038 56.100 -0.240 0.000 0.970 416 R CB -0.840 29.319 30.300 -0.235 0.000 0.864 416 R HN 0.336 nan 8.270 nan 0.000 0.440 417 L N 0.186 121.353 121.223 -0.094 0.000 2.017 417 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 417 L C 1.877 178.726 176.870 -0.034 0.000 1.073 417 L CA 1.769 56.576 54.840 -0.055 0.000 0.745 417 L CB -0.422 41.609 42.059 -0.047 0.000 0.894 417 L HN 0.285 nan 8.230 nan 0.000 0.432 418 L N -1.311 119.894 121.223 -0.029 0.000 2.131 418 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 418 L C 2.547 179.405 176.870 -0.019 0.000 1.092 418 L CA 1.047 55.881 54.840 -0.010 0.000 0.759 418 L CB -0.621 41.442 42.059 0.007 0.000 0.903 418 L HN 0.334 nan 8.230 nan 0.000 0.435 419 L N -0.750 120.441 121.223 -0.053 0.000 2.046 419 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 419 L C 2.674 179.530 176.870 -0.023 0.000 1.077 419 L CA 1.118 55.926 54.840 -0.053 0.000 0.747 419 L CB -0.453 41.533 42.059 -0.121 0.000 0.896 419 L HN 0.193 nan 8.230 nan 0.000 0.432 420 S N -0.985 114.699 115.700 -0.026 0.000 2.442 420 S HA -0.131 4.338 4.470 -0.000 0.000 0.236 420 S C 1.886 176.491 174.600 0.008 0.000 1.007 420 S CA 1.129 59.327 58.200 -0.003 0.000 0.965 420 S CB -0.054 63.143 63.200 -0.004 0.000 0.773 420 S HN 0.325 nan 8.310 nan 0.000 0.504 421 S N -0.236 115.469 115.700 0.009 0.000 2.556 421 S HA 0.346 4.816 4.470 -0.000 0.000 0.216 421 S C 1.311 175.923 174.600 0.020 0.000 0.970 421 S CA 0.390 58.602 58.200 0.020 0.000 0.912 421 S CB 0.381 63.597 63.200 0.026 0.000 0.790 421 S HN 0.687 nan 8.310 nan 0.000 0.504 422 G N 1.516 110.325 108.800 0.015 0.000 2.198 422 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.260 422 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.260 422 G C 0.118 175.028 174.900 0.017 0.000 1.025 422 G CA 0.151 45.261 45.100 0.017 0.000 0.769 422 G HN 0.414 nan 8.290 nan 0.000 0.507 423 V N 1.389 121.312 119.914 0.016 0.000 2.572 423 V HA 0.255 4.374 4.120 -0.000 0.000 0.291 423 V C 0.789 176.893 176.094 0.017 0.000 1.039 423 V CA -0.356 61.955 62.300 0.018 0.000 1.055 423 V CB 1.267 33.102 31.823 0.019 0.000 0.969 423 V HN 0.279 nan 8.190 nan 0.000 0.482 424 K N 7.185 127.596 120.400 0.018 0.000 2.312 424 K HA 0.452 4.772 4.320 -0.000 0.000 0.287 424 K C -0.288 176.325 176.600 0.022 0.000 1.062 424 K CA 0.116 56.415 56.287 0.020 0.000 0.934 424 K CB 0.914 33.426 32.500 0.019 0.000 1.027 424 K HN 0.835 nan 8.250 nan 0.000 0.478 425 M N 0.368 119.983 119.600 0.025 0.000 2.593 425 M HA 0.571 5.050 4.480 -0.000 0.000 0.290 425 M C -0.715 175.609 176.300 0.040 0.000 1.244 425 M CA -1.173 54.145 55.300 0.030 0.000 0.857 425 M CB 2.168 34.787 32.600 0.031 0.000 1.738 425 M HN 0.189 nan 8.290 nan 0.000 0.461 426 V N 0.157 120.106 119.914 0.059 0.000 2.914 426 V HA 0.908 5.027 4.120 -0.000 0.000 0.314 426 V C -0.975 175.174 176.094 0.092 0.000 1.084 426 V CA -0.698 61.670 62.300 0.113 0.000 0.963 426 V CB 1.735 33.704 31.823 0.244 0.000 1.025 426 V HN 0.814 nan 8.190 nan 0.000 0.432 427 V N 3.985 123.958 119.914 0.099 0.000 2.555 427 V HA 0.548 4.668 4.120 -0.000 0.000 0.302 427 V C -0.313 175.878 176.094 0.161 0.000 1.038 427 V CA -0.538 61.795 62.300 0.055 0.000 0.887 427 V CB 1.680 33.405 31.823 -0.162 0.000 0.991 427 V HN 0.820 nan 8.190 nan 0.000 0.434 428 L N 4.056 125.364 121.223 0.140 0.000 2.298 428 L HA 0.699 5.039 4.340 -0.000 0.000 0.284 428 L C -0.855 176.107 176.870 0.154 0.000 1.013 428 L CA -0.046 54.883 54.840 0.148 0.000 0.824 428 L CB 1.575 43.679 42.059 0.075 0.000 1.221 428 L HN 0.694 nan 8.230 nan 0.000 0.418 429 D N -0.341 120.167 120.400 0.179 0.000 2.609 429 D HA 0.312 4.952 4.640 -0.000 0.000 0.239 429 D C -0.654 175.744 176.300 0.163 0.000 1.229 429 D CA -0.336 53.802 54.000 0.231 0.000 0.808 429 D CB 1.559 42.562 40.800 0.339 0.000 1.448 429 D HN 0.405 nan 8.370 nan 0.000 0.433 430 H N 0.769 119.819 119.070 -0.034 0.000 2.750 430 H HA 0.299 4.854 4.556 -0.001 0.000 0.252 430 H C -1.354 173.892 175.328 -0.137 0.000 1.176 430 H CA -0.323 55.516 56.048 -0.350 0.000 0.987 430 H CB 0.339 29.952 29.762 -0.250 0.000 1.810 430 H HN 0.189 nan 8.280 nan 0.000 0.630 431 D N 0.544 121.020 120.400 0.127 0.000 2.381 431 D HA 0.210 4.850 4.640 -0.000 0.000 0.235 431 D C -1.827 174.543 176.300 0.117 0.000 1.068 431 D CA -2.357 51.645 54.000 0.003 0.000 0.832 431 D CB 2.339 43.012 40.800 -0.212 0.000 1.101 431 D HN 0.066 nan 8.370 nan 0.000 0.515 432 P HA -0.086 nan 4.420 nan 0.000 0.219 432 P C 0.496 177.794 177.300 -0.003 0.000 1.146 432 P CA 0.820 63.969 63.100 0.081 0.000 0.808 432 P CB 0.388 32.109 31.700 0.035 0.000 0.779 433 D N -2.193 118.152 120.400 -0.093 0.000 2.348 433 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 433 D C 1.228 177.554 176.300 0.043 0.000 0.970 433 D CA 0.958 54.915 54.000 -0.071 0.000 0.889 433 D CB -0.333 40.402 40.800 -0.109 0.000 0.912 433 D HN 0.365 nan 8.370 nan 0.000 0.524 434 H N -0.260 118.903 119.070 0.155 0.000 2.575 434 H HA 0.219 4.775 4.556 -0.001 0.000 0.267 434 H C 2.201 177.629 175.328 0.165 0.000 0.966 434 H CA -0.239 55.936 56.048 0.212 0.000 1.165 434 H CB 0.337 30.287 29.762 0.314 0.000 1.433 434 H HN 0.179 nan 8.280 nan 0.000 0.544 435 I N 0.719 121.401 120.570 0.186 0.000 2.208 435 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 435 I C 2.281 178.427 176.117 0.049 0.000 1.097 435 I CA 1.299 62.639 61.300 0.067 0.000 1.363 435 I CB 0.114 38.082 38.000 -0.054 0.000 1.051 435 I HN 0.094 nan 8.210 nan 0.000 0.413 436 E N 0.242 120.474 120.200 0.054 0.000 2.107 436 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 436 E C 2.269 178.881 176.600 0.020 0.000 0.982 436 E CA 1.354 57.766 56.400 0.019 0.000 0.809 436 E CB -0.441 29.265 29.700 0.009 0.000 0.756 436 E HN 0.421 nan 8.360 nan 0.000 0.459 437 T N 1.823 116.434 114.554 0.096 0.000 2.720 437 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 437 T C 2.102 176.894 174.700 0.153 0.000 1.037 437 T CA 0.933 63.108 62.100 0.125 0.000 1.144 437 T CB -0.208 68.847 68.868 0.311 0.000 0.864 437 T HN 0.080 nan 8.240 nan 0.000 0.444 438 L N 0.224 121.543 121.223 0.161 0.000 2.109 438 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 438 L C 2.852 179.740 176.870 0.030 0.000 1.086 438 L CA 1.078 55.953 54.840 0.060 0.000 0.760 438 L CB -0.403 41.612 42.059 -0.074 0.000 0.910 438 L HN 0.128 nan 8.230 nan 0.000 0.437 439 R N 0.565 121.063 120.500 -0.004 0.000 2.081 439 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 439 R C 2.274 178.547 176.300 -0.046 0.000 1.131 439 R CA 1.480 57.562 56.100 -0.030 0.000 0.960 439 R CB -0.024 30.251 30.300 -0.041 0.000 0.856 439 R HN 0.240 nan 8.270 nan 0.000 0.436 440 K N -0.553 119.783 120.400 -0.106 0.000 2.147 440 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 440 K C 1.646 178.105 176.600 -0.235 0.000 1.049 440 K CA 1.486 57.644 56.287 -0.215 0.000 0.936 440 K CB -0.065 32.230 32.500 -0.341 0.000 0.722 440 K HN 0.219 nan 8.250 nan 0.000 0.446 441 F N -0.159 119.810 119.950 0.032 0.000 2.811 441 F HA 0.081 4.608 4.527 -0.001 0.000 0.301 441 F C 1.423 177.225 175.800 0.004 0.000 1.151 441 F CA 0.320 58.338 58.000 0.031 0.000 1.412 441 F CB 0.468 39.506 39.000 0.063 0.000 1.113 441 F HN 0.173 nan 8.300 nan 0.000 0.579 442 G N 1.043 109.912 108.800 0.115 0.000 2.153 442 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.252 442 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.252 442 G C 0.202 175.128 174.900 0.043 0.000 0.994 442 G CA -0.122 45.014 45.100 0.059 0.000 0.698 442 G HN 0.227 nan 8.290 nan 0.000 0.521 443 M N 0.446 120.074 119.600 0.046 0.000 2.188 443 M HA 0.473 4.953 4.480 -0.000 0.000 0.354 443 M C 0.671 176.936 176.300 -0.057 0.000 1.342 443 M CA -0.289 55.003 55.300 -0.013 0.000 1.117 443 M CB 0.703 33.254 32.600 -0.082 0.000 1.670 443 M HN 0.202 nan 8.290 nan 0.000 0.466 444 K N 3.575 123.945 120.400 -0.049 0.000 2.416 444 K HA 0.339 4.659 4.320 -0.000 0.000 0.283 444 K C -1.647 174.889 176.600 -0.107 0.000 1.037 444 K CA -0.065 56.164 56.287 -0.097 0.000 0.995 444 K CB 0.299 32.773 32.500 -0.044 0.000 0.938 444 K HN 0.516 nan 8.250 nan 0.000 0.475 445 V N 5.756 125.549 119.914 -0.203 0.000 2.604 445 V HA 0.449 4.568 4.120 -0.000 0.000 0.305 445 V C -0.945 175.002 176.094 -0.245 0.000 1.043 445 V CA -0.807 61.432 62.300 -0.101 0.000 0.888 445 V CB 1.228 33.033 31.823 -0.030 0.000 0.995 445 V HN 0.570 nan 8.190 nan 0.000 0.429 446 F N 3.775 123.757 119.950 0.054 0.000 2.332 446 F HA 0.423 4.950 4.527 -0.001 0.000 0.368 446 F C -0.264 175.607 175.800 0.118 0.000 1.110 446 F CA -0.637 57.404 58.000 0.069 0.000 1.087 446 F CB 0.809 39.820 39.000 0.019 0.000 1.235 446 F HN 0.493 nan 8.300 nan 0.000 0.470 447 Y N 2.927 123.298 120.300 0.117 0.000 2.436 447 Y HA 0.600 5.150 4.550 -0.000 0.000 0.343 447 Y C 0.357 176.322 175.900 0.108 0.000 1.008 447 Y CA -0.019 58.159 58.100 0.129 0.000 1.241 447 Y CB 0.321 38.842 38.460 0.103 0.000 1.153 447 Y HN 0.725 nan 8.280 nan 0.000 0.521 448 G N 4.357 112.966 108.800 -0.320 0.000 2.341 448 G HA2 0.008 3.968 3.960 -0.000 0.000 0.293 448 G HA3 0.008 3.968 3.960 -0.000 0.000 0.293 448 G C -1.873 172.627 174.900 -0.666 0.000 1.298 448 G CA -1.103 43.603 45.100 -0.656 0.000 0.868 448 G HN 0.453 nan 8.290 nan 0.000 0.540 449 D N 0.743 120.742 120.400 -0.668 0.000 2.358 449 D HA 0.466 5.105 4.640 -0.000 0.000 0.258 449 D C 1.526 177.737 176.300 -0.150 0.000 1.223 449 D CA 0.646 54.453 54.000 -0.321 0.000 0.886 449 D CB 1.312 41.969 40.800 -0.238 0.000 1.120 449 D HN 0.786 nan 8.370 nan 0.000 0.482 450 A N 3.078 125.853 122.820 -0.074 0.000 2.125 450 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 450 A C 1.910 179.481 177.584 -0.022 0.000 1.156 450 A CA 1.735 53.752 52.037 -0.033 0.000 0.671 450 A CB -0.516 18.488 19.000 0.005 0.000 0.794 450 A HN 0.665 nan 8.150 nan 0.000 0.459 451 T N -2.299 112.242 114.554 -0.022 0.000 3.113 451 T HA 0.097 4.447 4.350 -0.000 0.000 0.256 451 T C 0.839 175.535 174.700 -0.007 0.000 1.131 451 T CA -0.242 61.858 62.100 -0.000 0.000 1.074 451 T CB -0.270 68.599 68.868 0.003 0.000 0.944 451 T HN 0.424 nan 8.240 nan 0.000 0.516 452 R N 0.928 121.408 120.500 -0.033 0.000 2.421 452 R HA 0.264 4.603 4.340 -0.000 0.000 0.305 452 R C 1.146 177.429 176.300 -0.028 0.000 1.039 452 R CA -0.318 55.760 56.100 -0.037 0.000 1.003 452 R CB 0.512 30.780 30.300 -0.053 0.000 0.959 452 R HN 0.167 nan 8.270 nan 0.000 0.427 453 M N 3.316 122.894 119.600 -0.036 0.000 2.108 453 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 453 M C 1.484 177.774 176.300 -0.018 0.000 1.066 453 M CA 2.066 57.342 55.300 -0.040 0.000 1.107 453 M CB -0.244 32.265 32.600 -0.152 0.000 1.356 453 M HN 0.660 nan 8.290 nan 0.000 0.406 454 D N -0.385 119.996 120.400 -0.031 0.000 2.117 454 D HA -0.204 4.435 4.640 -0.000 0.000 0.198 454 D C 2.024 178.299 176.300 -0.042 0.000 0.982 454 D CA 1.573 55.559 54.000 -0.024 0.000 0.828 454 D CB -1.031 39.762 40.800 -0.012 0.000 0.967 454 D HN 0.495 nan 8.370 nan 0.000 0.464 455 L N -0.164 121.029 121.223 -0.050 0.000 2.017 455 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 455 L C 2.881 179.626 176.870 -0.207 0.000 1.073 455 L CA 0.814 55.602 54.840 -0.087 0.000 0.745 455 L CB -0.404 41.624 42.059 -0.052 0.000 0.894 455 L HN 0.047 nan 8.230 nan 0.000 0.432 456 L N -0.465 120.669 121.223 -0.149 0.000 2.012 456 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 456 L C 2.582 179.266 176.870 -0.311 0.000 1.073 456 L CA 1.477 56.182 54.840 -0.226 0.000 0.748 456 L CB -0.539 41.470 42.059 -0.084 0.000 0.891 456 L HN 0.297 nan 8.230 nan 0.000 0.431 457 E N -0.360 119.758 120.200 -0.137 0.000 2.058 457 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 457 E C 2.308 178.792 176.600 -0.193 0.000 0.997 457 E CA 1.545 57.878 56.400 -0.111 0.000 0.801 457 E CB -0.107 29.607 29.700 0.024 0.000 0.746 457 E HN 0.377 nan 8.360 nan 0.000 0.450 458 S N 0.831 116.400 115.700 -0.219 0.000 2.383 458 S HA -0.165 4.304 4.470 -0.000 0.000 0.229 458 S C 2.054 176.253 174.600 -0.669 0.000 1.030 458 S CA 0.984 59.029 58.200 -0.259 0.000 1.002 458 S CB -0.164 62.970 63.200 -0.111 0.000 0.829 458 S HN 0.381 nan 8.310 nan 0.000 0.467 459 A N 0.431 122.638 122.820 -1.022 0.000 2.216 459 A HA 0.373 4.693 4.320 -0.000 0.000 0.214 459 A C 1.652 178.952 177.584 -0.474 0.000 1.160 459 A CA 1.009 52.399 52.037 -1.078 0.000 0.725 459 A CB -0.967 17.560 19.000 -0.787 0.000 0.784 459 A HN 1.030 nan 8.150 nan 0.000 0.472 460 G N -2.327 106.263 108.800 -0.350 0.000 2.149 460 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.235 460 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.235 460 G C 0.974 175.705 174.900 -0.280 0.000 1.018 460 G CA 0.804 45.769 45.100 -0.225 0.000 0.728 460 G HN 1.386 nan 8.290 nan 0.000 0.508 461 A N -0.277 122.255 122.820 -0.480 0.000 2.019 461 A HA 0.380 4.700 4.320 -0.000 0.000 0.219 461 A C 2.713 179.946 177.584 -0.584 0.000 1.164 461 A CA 2.268 53.861 52.037 -0.739 0.000 0.644 461 A CB -0.501 17.619 19.000 -1.466 0.000 0.805 461 A HN 1.852 nan 8.150 nan 0.000 0.449 462 A N -0.638 122.006 122.820 -0.293 0.000 2.066 462 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 462 A C 1.993 179.618 177.584 0.067 0.000 1.157 462 A CA 1.528 53.623 52.037 0.098 0.000 0.670 462 A CB -0.183 18.932 19.000 0.192 0.000 0.804 462 A HN 0.531 nan 8.150 nan 0.000 0.453 463 K N -0.757 119.632 120.400 -0.017 0.000 2.367 463 K HA 0.360 4.680 4.320 -0.000 0.000 0.195 463 K C 0.749 177.339 176.600 -0.016 0.000 1.060 463 K CA 0.341 56.627 56.287 -0.001 0.000 1.022 463 K CB 0.311 32.805 32.500 -0.011 0.000 0.894 463 K HN 0.377 nan 8.250 nan 0.000 0.540 464 A N 1.774 124.561 122.820 -0.056 0.000 2.425 464 A HA 0.008 4.328 4.320 -0.000 0.000 0.242 464 A C 0.708 178.287 177.584 -0.008 0.000 1.077 464 A CA 0.034 52.043 52.037 -0.046 0.000 0.781 464 A CB 0.331 19.278 19.000 -0.090 0.000 1.020 464 A HN 0.211 nan 8.150 nan 0.000 0.494 465 E N -0.071 120.129 120.200 0.001 0.000 2.166 465 E HA 0.134 4.484 4.350 -0.000 0.000 0.192 465 E C -0.486 176.127 176.600 0.022 0.000 0.967 465 E CA 0.684 57.094 56.400 0.017 0.000 0.840 465 E CB 0.278 29.985 29.700 0.012 0.000 0.795 465 E HN 0.387 nan 8.360 nan 0.000 0.470 466 V N 1.784 121.704 119.914 0.012 0.000 2.760 466 V HA 0.289 4.409 4.120 -0.000 0.000 0.309 466 V C -1.185 174.914 176.094 0.008 0.000 1.077 466 V CA -0.913 61.398 62.300 0.018 0.000 0.910 466 V CB 2.320 34.159 31.823 0.027 0.000 1.008 466 V HN 0.079 nan 8.190 nan 0.000 0.424 467 L N 5.892 127.123 121.223 0.013 0.000 2.325 467 L HA 0.684 5.024 4.340 -0.000 0.000 0.281 467 L C -0.769 176.122 176.870 0.035 0.000 1.004 467 L CA 0.107 54.953 54.840 0.010 0.000 0.823 467 L CB 1.269 43.326 42.059 -0.002 0.000 1.236 467 L HN 0.584 nan 8.230 nan 0.000 0.415 468 I N 4.951 125.553 120.570 0.054 0.000 2.301 468 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 468 I C -0.019 176.146 176.117 0.080 0.000 1.046 468 I CA -0.293 61.056 61.300 0.082 0.000 1.282 468 I CB 0.753 38.821 38.000 0.114 0.000 1.409 468 I HN 0.628 nan 8.210 nan 0.000 0.484 469 N N 6.288 125.022 118.700 0.056 0.000 2.602 469 N HA 0.264 5.004 4.740 -0.000 0.000 0.238 469 N C 0.248 175.762 175.510 0.006 0.000 1.084 469 N CA -0.129 52.943 53.050 0.036 0.000 0.952 469 N CB 1.259 39.758 38.487 0.019 0.000 1.244 469 N HN 0.687 nan 8.380 nan 0.000 0.512 470 A N 4.603 127.445 122.820 0.037 0.000 2.507 470 A HA 0.282 4.602 4.320 -0.000 0.000 0.270 470 A C 0.732 178.287 177.584 -0.049 0.000 1.318 470 A CA -0.409 51.613 52.037 -0.026 0.000 0.924 470 A CB -0.362 18.763 19.000 0.209 0.000 1.061 470 A HN 0.645 nan 8.150 nan 0.000 0.516 471 I N 0.200 120.763 120.570 -0.013 0.000 2.556 471 I HA 0.004 4.173 4.170 -0.000 0.000 0.284 471 I C 1.318 177.427 176.117 -0.014 0.000 1.114 471 I CA -0.178 61.132 61.300 0.016 0.000 1.418 471 I CB 0.925 38.948 38.000 0.038 0.000 1.394 471 I HN 0.250 nan 8.210 nan 0.000 0.552 472 D N 3.812 124.213 120.400 0.003 0.000 2.120 472 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 472 D C 0.591 176.892 176.300 0.003 0.000 0.972 472 D CA 0.906 54.904 54.000 -0.003 0.000 0.837 472 D CB 0.037 40.853 40.800 0.027 0.000 0.989 472 D HN 0.581 nan 8.370 nan 0.000 0.469 473 D N -0.266 120.134 120.400 -0.001 0.000 2.382 473 D HA 0.037 4.677 4.640 -0.000 0.000 0.259 473 D C -1.768 174.473 176.300 -0.098 0.000 1.224 473 D CA -1.310 52.669 54.000 -0.034 0.000 0.894 473 D CB 1.582 42.372 40.800 -0.016 0.000 1.127 473 D HN -0.013 nan 8.370 nan 0.000 0.487 474 P HA -0.175 nan 4.420 nan 0.000 0.215 474 P C 1.205 178.290 177.300 -0.358 0.000 1.153 474 P CA 0.965 63.721 63.100 -0.573 0.000 0.853 474 P CB 0.207 31.516 31.700 -0.651 0.000 0.788 475 Q N -0.970 118.718 119.800 -0.187 0.000 2.084 475 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 475 Q C 2.140 178.109 176.000 -0.053 0.000 0.978 475 Q CA 1.728 57.470 55.803 -0.101 0.000 0.844 475 Q CB -1.685 27.015 28.738 -0.065 0.000 0.898 475 Q HN 0.269 nan 8.270 nan 0.000 0.426 476 T N 1.945 116.476 114.554 -0.039 0.000 2.746 476 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 476 T C 1.611 176.318 174.700 0.011 0.000 1.039 476 T CA 1.318 63.414 62.100 -0.007 0.000 1.142 476 T CB -0.270 68.600 68.868 0.003 0.000 0.866 476 T HN 0.327 nan 8.240 nan 0.000 0.444 477 N N 1.377 120.087 118.700 0.015 0.000 2.120 477 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 477 N C 1.886 177.453 175.510 0.095 0.000 1.024 477 N CA 1.168 54.262 53.050 0.073 0.000 0.852 477 N CB -0.386 38.191 38.487 0.149 0.000 1.003 477 N HN 0.377 nan 8.380 nan 0.000 0.424 478 L N 0.683 121.955 121.223 0.082 0.000 2.093 478 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 478 L C 2.826 179.720 176.870 0.040 0.000 1.085 478 L CA 0.993 55.877 54.840 0.074 0.000 0.755 478 L CB -0.451 41.634 42.059 0.043 0.000 0.904 478 L HN 0.324 nan 8.230 nan 0.000 0.435 479 Q N 0.110 119.926 119.800 0.025 0.000 2.020 479 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 479 Q C 2.301 178.323 176.000 0.038 0.000 0.982 479 Q CA 1.752 57.569 55.803 0.024 0.000 0.838 479 Q CB -0.118 28.629 28.738 0.015 0.000 0.899 479 Q HN 0.362 nan 8.270 nan 0.000 0.423 480 L N 0.545 121.793 121.223 0.041 0.000 2.042 480 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 480 L C 2.150 179.059 176.870 0.064 0.000 1.076 480 L CA 2.234 57.106 54.840 0.054 0.000 0.749 480 L CB -0.919 41.167 42.059 0.046 0.000 0.893 480 L HN 0.203 nan 8.230 nan 0.000 0.432 481 T N -0.414 114.172 114.554 0.053 0.000 2.684 481 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 481 T C 1.739 176.463 174.700 0.041 0.000 1.036 481 T CA 1.649 63.775 62.100 0.044 0.000 1.148 481 T CB -0.233 68.654 68.868 0.032 0.000 0.863 481 T HN 0.393 nan 8.240 nan 0.000 0.436 482 E N 0.823 121.043 120.200 0.033 0.000 2.110 482 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 482 E C 2.235 178.853 176.600 0.029 0.000 0.988 482 E CA 0.904 57.315 56.400 0.017 0.000 0.804 482 E CB -0.331 29.375 29.700 0.009 0.000 0.745 482 E HN 0.554 nan 8.360 nan 0.000 0.458 483 M N 0.166 119.809 119.600 0.071 0.000 2.117 483 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 483 M C 2.450 178.857 176.300 0.179 0.000 1.065 483 M CA 1.078 56.462 55.300 0.139 0.000 1.114 483 M CB -0.251 32.436 32.600 0.145 0.000 1.361 483 M HN -0.063 nan 8.290 nan 0.000 0.408 484 V N 0.393 120.418 119.914 0.185 0.000 2.343 484 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 484 V C 2.419 178.598 176.094 0.142 0.000 1.051 484 V CA 1.529 63.995 62.300 0.276 0.000 1.036 484 V CB -0.697 31.256 31.823 0.217 0.000 0.654 484 V HN 0.375 nan 8.190 nan 0.000 0.451 485 K N -0.058 120.372 120.400 0.051 0.000 2.097 485 K HA -0.213 4.106 4.320 -0.000 0.000 0.206 485 K C 2.122 178.669 176.600 -0.088 0.000 1.049 485 K CA 1.559 57.839 56.287 -0.011 0.000 0.933 485 K CB -0.268 32.218 32.500 -0.023 0.000 0.717 485 K HN 0.624 nan 8.250 nan 0.000 0.442 486 E N -0.196 119.921 120.200 -0.138 0.000 2.072 486 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 486 E C 1.329 177.638 176.600 -0.486 0.000 0.985 486 E CA 1.224 57.433 56.400 -0.319 0.000 0.801 486 E CB 0.090 29.535 29.700 -0.426 0.000 0.750 486 E HN 0.460 nan 8.360 nan 0.000 0.452 487 H N -2.383 116.472 119.070 -0.358 0.000 2.639 487 H HA 0.182 4.738 4.556 -0.000 0.000 0.267 487 H C -0.347 174.462 175.328 -0.865 0.000 0.958 487 H CA 0.176 55.800 56.048 -0.707 0.000 1.221 487 H CB 0.604 29.703 29.762 -1.105 0.000 1.446 487 H HN -0.009 nan 8.280 nan 0.000 0.512 488 F N 1.575 121.541 119.950 0.026 0.000 2.550 488 F HA 0.265 4.791 4.527 -0.001 0.000 0.348 488 F C -1.832 173.903 175.800 -0.109 0.000 1.219 488 F CA -2.045 55.938 58.000 -0.028 0.000 1.203 488 F CB 1.578 40.581 39.000 0.005 0.000 1.436 488 F HN -0.000 nan 8.300 nan 0.000 0.541 489 P HA -0.170 nan 4.420 nan 0.000 0.225 489 P C 0.790 177.927 177.300 -0.271 0.000 1.148 489 P CA 1.532 64.472 63.100 -0.267 0.000 0.779 489 P CB 0.175 31.631 31.700 -0.407 0.000 0.780 490 H N -1.290 117.827 119.070 0.078 0.000 2.551 490 H HA 0.203 4.759 4.556 -0.000 0.000 0.271 490 H C 0.635 175.995 175.328 0.052 0.000 0.984 490 H CA -0.550 55.530 56.048 0.054 0.000 1.164 490 H CB 0.052 29.842 29.762 0.046 0.000 1.437 490 H HN 0.115 nan 8.280 nan 0.000 0.550 491 L N 2.821 124.126 121.223 0.136 0.000 2.283 491 L HA 0.188 4.527 4.340 -0.000 0.000 0.287 491 L C 0.052 176.962 176.870 0.068 0.000 1.073 491 L CA -0.333 54.565 54.840 0.095 0.000 0.822 491 L CB 0.834 42.947 42.059 0.090 0.000 1.186 491 L HN 0.019 nan 8.230 nan 0.000 0.436 492 Q N 5.405 125.236 119.800 0.053 0.000 2.286 492 Q HA 0.413 4.753 4.340 -0.000 0.000 0.257 492 Q C -0.844 175.176 176.000 0.032 0.000 0.941 492 Q CA 0.012 55.839 55.803 0.040 0.000 0.912 492 Q CB 1.625 30.385 28.738 0.036 0.000 1.192 492 Q HN 0.608 nan 8.270 nan 0.000 0.410 493 I N 3.754 124.339 120.570 0.025 0.000 2.339 493 I HA 0.318 4.487 4.170 -0.000 0.000 0.290 493 I C -0.440 175.686 176.117 0.014 0.000 0.994 493 I CA -0.542 60.770 61.300 0.021 0.000 1.191 493 I CB 0.995 39.004 38.000 0.015 0.000 1.343 493 I HN 0.433 nan 8.210 nan 0.000 0.458 494 I N 6.106 126.692 120.570 0.026 0.000 2.339 494 I HA 0.572 4.742 4.170 -0.000 0.000 0.290 494 I C 0.105 176.240 176.117 0.031 0.000 0.994 494 I CA -0.173 61.147 61.300 0.033 0.000 1.191 494 I CB 1.563 39.597 38.000 0.058 0.000 1.343 494 I HN 0.607 nan 8.210 nan 0.000 0.458 495 A N 6.536 129.356 122.820 0.000 0.000 2.371 495 A HA 0.618 4.937 4.320 -0.000 0.000 0.311 495 A C -0.286 177.256 177.584 -0.070 0.000 1.068 495 A CA -0.753 51.260 52.037 -0.040 0.000 0.744 495 A CB 1.220 20.166 19.000 -0.090 0.000 1.239 495 A HN 0.776 nan 8.150 nan 0.000 0.435 496 R N 1.503 121.910 120.500 -0.155 0.000 2.590 496 R HA 0.459 4.799 4.340 -0.000 0.000 0.274 496 R C -0.202 175.921 176.300 -0.295 0.000 1.061 496 R CA 0.559 56.459 56.100 -0.333 0.000 1.081 496 R CB 0.469 30.311 30.300 -0.764 0.000 0.984 496 R HN 0.890 nan 8.270 nan 0.000 0.448 497 A N 3.932 126.612 122.820 -0.234 0.000 2.355 497 A HA 0.282 4.602 4.320 -0.000 0.000 0.317 497 A C 0.566 178.153 177.584 0.004 0.000 1.094 497 A CA -0.824 51.013 52.037 -0.333 0.000 0.764 497 A CB 1.591 20.456 19.000 -0.224 0.000 1.230 497 A HN 1.045 nan 8.150 nan 0.000 0.448 498 R N 0.642 121.325 120.500 0.304 0.000 2.075 498 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 498 R C -0.009 176.382 176.300 0.153 0.000 1.126 498 R CA 2.390 58.618 56.100 0.214 0.000 0.963 498 R CB 0.070 30.499 30.300 0.214 0.000 0.858 498 R HN 0.925 nan 8.270 nan 0.000 0.435 499 D N -3.672 116.829 120.400 0.167 0.000 2.851 499 D HA -0.006 4.633 4.640 -0.000 0.000 0.339 499 D C 0.493 176.864 176.300 0.118 0.000 1.347 499 D CA -0.549 53.523 54.000 0.120 0.000 0.888 499 D CB 0.448 41.306 40.800 0.098 0.000 1.431 499 D HN -0.216 nan 8.370 nan 0.000 0.509 500 V N 0.250 120.205 119.914 0.067 0.000 2.358 500 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 500 V C 1.439 177.606 176.094 0.122 0.000 1.047 500 V CA 2.249 64.574 62.300 0.042 0.000 1.035 500 V CB -0.744 31.067 31.823 -0.020 0.000 0.658 500 V HN 0.512 nan 8.190 nan 0.000 0.452 501 D N -1.013 119.451 120.400 0.108 0.000 2.104 501 D HA -0.193 4.446 4.640 -0.000 0.000 0.194 501 D C 2.045 178.448 176.300 0.172 0.000 0.994 501 D CA 1.722 55.789 54.000 0.112 0.000 0.830 501 D CB -0.356 40.489 40.800 0.074 0.000 0.959 501 D HN 0.630 nan 8.370 nan 0.000 0.452 502 H N -1.351 117.757 119.070 0.063 0.000 2.326 502 H HA -0.193 4.362 4.556 -0.001 0.000 0.301 502 H C 2.143 177.514 175.328 0.070 0.000 1.081 502 H CA 1.075 57.153 56.048 0.049 0.000 1.334 502 H CB -0.070 29.713 29.762 0.034 0.000 1.385 502 H HN 0.141 nan 8.280 nan 0.000 0.504 503 Y N 1.438 121.724 120.300 -0.024 0.000 2.102 503 Y HA -0.300 4.250 4.550 0.001 0.000 0.280 503 Y C 2.393 178.265 175.900 -0.046 0.000 1.178 503 Y CA 2.082 60.125 58.100 -0.096 0.000 1.146 503 Y CB -0.594 37.815 38.460 -0.085 0.000 0.968 503 Y HN 0.210 nan 8.280 nan 0.000 0.504 504 I N -0.029 120.681 120.570 0.232 0.000 2.179 504 I HA -0.348 3.821 4.170 -0.000 0.000 0.242 504 I C 2.539 178.666 176.117 0.017 0.000 1.088 504 I CA 1.690 63.067 61.300 0.129 0.000 1.357 504 I CB -0.418 37.669 38.000 0.145 0.000 1.051 504 I HN 0.220 nan 8.210 nan 0.000 0.409 505 R N 0.440 120.970 120.500 0.050 0.000 2.096 505 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 505 R C 2.291 178.590 176.300 -0.002 0.000 1.127 505 R CA 1.177 57.302 56.100 0.041 0.000 0.968 505 R CB -0.350 30.006 30.300 0.093 0.000 0.861 505 R HN 0.350 nan 8.270 nan 0.000 0.440 506 L N 0.202 121.394 121.223 -0.051 0.000 2.093 506 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 506 L C 2.590 179.354 176.870 -0.176 0.000 1.085 506 L CA 1.007 55.770 54.840 -0.129 0.000 0.755 506 L CB -0.297 41.619 42.059 -0.238 0.000 0.904 506 L HN 0.075 nan 8.230 nan 0.000 0.435 507 R N 0.202 120.550 120.500 -0.253 0.000 2.081 507 R HA -0.157 4.182 4.340 -0.000 0.000 0.235 507 R C 2.162 178.396 176.300 -0.111 0.000 1.131 507 R CA 1.371 57.334 56.100 -0.228 0.000 0.960 507 R CB -0.628 29.522 30.300 -0.250 0.000 0.856 507 R HN 0.528 nan 8.270 nan 0.000 0.436 508 Q N -0.335 119.420 119.800 -0.074 0.000 2.224 508 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 508 Q C 1.766 177.743 176.000 -0.038 0.000 0.970 508 Q CA 1.261 57.040 55.803 -0.040 0.000 0.865 508 Q CB 0.016 28.743 28.738 -0.018 0.000 0.922 508 Q HN 0.305 nan 8.270 nan 0.000 0.445 509 A N -0.008 122.787 122.820 -0.042 0.000 2.206 509 A HA 0.246 4.566 4.320 -0.000 0.000 0.211 509 A C 1.449 179.009 177.584 -0.040 0.000 1.158 509 A CA 0.893 52.910 52.037 -0.034 0.000 0.761 509 A CB -0.199 18.788 19.000 -0.021 0.000 0.801 509 A HN 0.448 nan 8.150 nan 0.000 0.473 510 G N -1.804 106.964 108.800 -0.054 0.000 2.138 510 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.193 510 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.193 510 G C 0.039 174.905 174.900 -0.057 0.000 0.998 510 G CA -0.066 45.004 45.100 -0.050 0.000 0.668 510 G HN 0.703 nan 8.290 nan 0.000 0.516 511 V N 0.855 120.720 119.914 -0.082 0.000 2.555 511 V HA 0.258 4.378 4.120 -0.000 0.000 0.286 511 V C 1.563 177.588 176.094 -0.115 0.000 1.044 511 V CA 0.632 62.876 62.300 -0.092 0.000 1.026 511 V CB 1.403 33.156 31.823 -0.116 0.000 0.981 511 V HN 0.490 nan 8.190 nan 0.000 0.480 512 E N 2.886 123.041 120.200 -0.076 0.000 2.046 512 E HA -0.044 4.305 4.350 -0.000 0.000 0.190 512 E C 0.307 176.857 176.600 -0.083 0.000 0.982 512 E CA 0.990 57.351 56.400 -0.066 0.000 0.800 512 E CB 0.139 29.823 29.700 -0.027 0.000 0.756 512 E HN 0.563 nan 8.360 nan 0.000 0.449 513 K N 0.940 121.299 120.400 -0.069 0.000 2.920 513 K HA 0.258 4.578 4.320 -0.000 0.000 0.175 513 K C -2.721 173.859 176.600 -0.032 0.000 1.099 513 K CA -1.335 54.933 56.287 -0.030 0.000 0.939 513 K CB 1.808 34.324 32.500 0.025 0.000 1.148 513 K HN -0.041 nan 8.250 nan 0.000 0.613 514 P HA -0.009 nan 4.420 nan 0.000 0.268 514 P C -0.672 176.682 177.300 0.089 0.000 1.205 514 P CA -0.249 62.781 63.100 -0.116 0.000 0.771 514 P CB 0.698 32.194 31.700 -0.339 0.000 0.858 515 E N 2.540 122.793 120.200 0.089 0.000 2.073 515 E HA 0.179 4.528 4.350 -0.000 0.000 0.269 515 E C -0.525 176.172 176.600 0.160 0.000 0.917 515 E CA -0.539 55.960 56.400 0.164 0.000 0.757 515 E CB 0.229 30.063 29.700 0.223 0.000 1.111 515 E HN 0.153 nan 8.360 nan 0.000 0.410 516 R N 3.544 124.136 120.500 0.153 0.000 2.446 516 R HA -0.013 4.326 4.340 -0.000 0.000 0.314 516 R C 1.265 177.703 176.300 0.229 0.000 1.003 516 R CA 0.463 56.650 56.100 0.146 0.000 1.018 516 R CB 0.374 30.724 30.300 0.084 0.000 0.945 516 R HN 0.727 nan 8.270 nan 0.000 0.419 517 E N 1.680 121.999 120.200 0.200 0.000 2.118 517 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 517 E C 0.836 177.605 176.600 0.281 0.000 0.992 517 E CA 1.900 58.484 56.400 0.306 0.000 0.804 517 E CB -0.031 29.797 29.700 0.213 0.000 0.741 517 E HN 0.658 nan 8.360 nan 0.000 0.458 518 T N -2.834 111.851 114.554 0.218 0.000 3.069 518 T HA 0.096 4.446 4.350 -0.000 0.000 0.252 518 T C 1.289 176.084 174.700 0.157 0.000 1.053 518 T CA -0.299 61.899 62.100 0.162 0.000 0.964 518 T CB -0.327 68.611 68.868 0.116 0.000 1.005 518 T HN 0.255 nan 8.240 nan 0.000 0.532 519 F N 2.694 122.695 119.950 0.085 0.000 2.075 519 F HA -0.017 4.510 4.527 -0.001 0.000 0.297 519 F C 2.305 178.149 175.800 0.072 0.000 1.113 519 F CA 1.404 59.451 58.000 0.078 0.000 1.218 519 F CB 0.038 39.087 39.000 0.081 0.000 0.984 519 F HN 0.031 nan 8.300 nan 0.000 0.472 520 E N 0.248 120.509 120.200 0.102 0.000 2.152 520 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 520 E C 2.433 178.987 176.600 -0.078 0.000 0.983 520 E CA 0.955 57.341 56.400 -0.024 0.000 0.818 520 E CB -0.888 28.879 29.700 0.112 0.000 0.758 520 E HN 0.569 nan 8.360 nan 0.000 0.467 521 G N 1.242 110.024 108.800 -0.029 0.000 2.408 521 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.217 521 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.217 521 G C 1.734 176.584 174.900 -0.083 0.000 1.150 521 G CA 1.011 46.087 45.100 -0.039 0.000 0.776 521 G HN 0.369 nan 8.290 nan 0.000 0.542 522 A N 0.513 123.265 122.820 -0.114 0.000 1.933 522 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 522 A C 2.408 179.855 177.584 -0.229 0.000 1.175 522 A CA 1.052 52.997 52.037 -0.153 0.000 0.628 522 A CB -0.346 18.567 19.000 -0.144 0.000 0.814 522 A HN 0.354 nan 8.150 nan 0.000 0.444 523 L N -0.674 120.357 121.223 -0.319 0.000 2.046 523 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 523 L C 2.620 179.377 176.870 -0.189 0.000 1.077 523 L CA 1.579 56.233 54.840 -0.311 0.000 0.747 523 L CB -0.453 41.401 42.059 -0.342 0.000 0.896 523 L HN 0.375 nan 8.230 nan 0.000 0.432 524 K N -0.516 119.802 120.400 -0.136 0.000 2.063 524 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 524 K C 2.037 178.586 176.600 -0.085 0.000 1.048 524 K CA 1.910 58.144 56.287 -0.088 0.000 0.928 524 K CB -0.314 32.150 32.500 -0.060 0.000 0.713 524 K HN 0.332 nan 8.250 nan 0.000 0.442 525 T N 0.236 114.734 114.554 -0.093 0.000 2.746 525 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 525 T C 1.907 176.549 174.700 -0.096 0.000 1.039 525 T CA 1.528 63.579 62.100 -0.082 0.000 1.142 525 T CB -0.492 68.330 68.868 -0.076 0.000 0.866 525 T HN 0.471 nan 8.240 nan 0.000 0.444 526 G N 1.347 110.065 108.800 -0.136 0.000 2.418 526 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 526 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 526 G C 1.723 176.549 174.900 -0.123 0.000 1.158 526 G CA 0.418 45.424 45.100 -0.156 0.000 0.771 526 G HN 0.413 nan 8.290 nan 0.000 0.545 527 R N -0.260 120.172 120.500 -0.113 0.000 2.081 527 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 527 R C 2.631 178.896 176.300 -0.059 0.000 1.131 527 R CA 0.946 56.998 56.100 -0.080 0.000 0.960 527 R CB -0.460 29.799 30.300 -0.068 0.000 0.856 527 R HN 0.318 nan 8.270 nan 0.000 0.436 528 L N 0.054 121.244 121.223 -0.056 0.000 2.083 528 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 528 L C 2.669 179.514 176.870 -0.042 0.000 1.083 528 L CA 1.135 55.950 54.840 -0.042 0.000 0.752 528 L CB -0.582 41.454 42.059 -0.039 0.000 0.899 528 L HN 0.273 nan 8.230 nan 0.000 0.433 529 A N 0.239 123.028 122.820 -0.052 0.000 1.883 529 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 529 A C 2.251 179.809 177.584 -0.044 0.000 1.186 529 A CA 1.511 53.519 52.037 -0.048 0.000 0.624 529 A CB -0.726 18.239 19.000 -0.058 0.000 0.822 529 A HN 0.348 nan 8.150 nan 0.000 0.444 530 L N -0.786 120.406 121.223 -0.051 0.000 2.046 530 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 530 L C 2.654 179.505 176.870 -0.032 0.000 1.077 530 L CA 1.743 56.556 54.840 -0.045 0.000 0.747 530 L CB -0.599 41.428 42.059 -0.053 0.000 0.896 530 L HN 0.492 nan 8.230 nan 0.000 0.432 531 E N -0.231 119.951 120.200 -0.030 0.000 2.077 531 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 531 E C 2.263 178.852 176.600 -0.018 0.000 0.989 531 E CA 1.617 58.006 56.400 -0.020 0.000 0.800 531 E CB -0.118 29.572 29.700 -0.017 0.000 0.746 531 E HN 0.511 nan 8.360 nan 0.000 0.452 532 S N 0.676 116.363 115.700 -0.022 0.000 2.447 532 S HA -0.062 4.407 4.470 -0.000 0.000 0.233 532 S C 1.886 176.475 174.600 -0.018 0.000 1.006 532 S CA 0.577 58.766 58.200 -0.019 0.000 0.957 532 S CB -0.245 62.943 63.200 -0.021 0.000 0.773 532 S HN 0.176 nan 8.310 nan 0.000 0.507 533 L N 0.571 121.781 121.223 -0.021 0.000 2.554 533 L HA 0.336 4.676 4.340 -0.000 0.000 0.226 533 L C 1.886 178.747 176.870 -0.016 0.000 1.137 533 L CA 0.490 55.319 54.840 -0.019 0.000 0.863 533 L CB -0.349 41.696 42.059 -0.023 0.000 0.985 533 L HN 0.631 nan 8.230 nan 0.000 0.451 534 G N -0.172 108.619 108.800 -0.014 0.000 2.183 534 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.168 534 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.168 534 G C -0.303 174.592 174.900 -0.008 0.000 1.008 534 G CA -0.563 44.531 45.100 -0.010 0.000 0.677 534 G HN 0.059 nan 8.290 nan 0.000 0.498 535 L N 2.081 123.298 121.223 -0.011 0.000 2.395 535 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 535 L C 1.199 178.069 176.870 0.001 0.000 1.133 535 L CA 0.349 55.185 54.840 -0.007 0.000 0.812 535 L CB 0.997 43.047 42.059 -0.017 0.000 1.125 535 L HN 0.335 nan 8.230 nan 0.000 0.452 536 G N 3.451 112.259 108.800 0.014 0.000 2.442 536 G HA2 0.332 4.292 3.960 -0.000 0.000 0.249 536 G HA3 0.332 4.292 3.960 -0.000 0.000 0.249 536 G C -1.991 172.934 174.900 0.040 0.000 1.263 536 G CA -0.770 44.350 45.100 0.032 0.000 0.846 536 G HN 0.658 nan 8.290 nan 0.000 0.555 537 P HA -0.212 nan 4.420 nan 0.000 0.216 537 P C 1.303 178.654 177.300 0.085 0.000 1.153 537 P CA 0.968 64.096 63.100 0.046 0.000 0.858 537 P CB 0.070 31.795 31.700 0.042 0.000 0.789 538 Y N 1.068 121.357 120.300 -0.017 0.000 2.163 538 Y HA -0.176 4.374 4.550 0.000 0.000 0.288 538 Y C 2.534 178.429 175.900 -0.008 0.000 1.136 538 Y CA 1.805 59.897 58.100 -0.014 0.000 1.147 538 Y CB -0.682 37.769 38.460 -0.014 0.000 0.987 538 Y HN -0.040 nan 8.280 nan 0.000 0.509 539 E N -0.151 120.042 120.200 -0.012 0.000 2.110 539 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 539 E C 2.228 178.758 176.600 -0.117 0.000 0.988 539 E CA 1.071 57.404 56.400 -0.111 0.000 0.804 539 E CB -0.295 29.397 29.700 -0.014 0.000 0.745 539 E HN 0.559 nan 8.360 nan 0.000 0.458 540 A N 1.606 124.386 122.820 -0.067 0.000 1.898 540 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 540 A C 2.223 179.760 177.584 -0.079 0.000 1.181 540 A CA 1.264 53.264 52.037 -0.062 0.000 0.620 540 A CB -0.538 18.436 19.000 -0.042 0.000 0.819 540 A HN 0.124 nan 8.150 nan 0.000 0.442 541 R N 0.330 120.777 120.500 -0.088 0.000 2.091 541 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 541 R C 1.870 178.097 176.300 -0.121 0.000 1.136 541 R CA 2.053 58.100 56.100 -0.088 0.000 0.959 541 R CB -0.532 29.732 30.300 -0.060 0.000 0.856 541 R HN 0.742 nan 8.270 nan 0.000 0.437 542 E N -0.193 119.867 120.200 -0.233 0.000 2.085 542 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 542 E C 2.252 178.803 176.600 -0.082 0.000 0.994 542 E CA 1.093 57.367 56.400 -0.209 0.000 0.801 542 E CB -0.130 29.377 29.700 -0.322 0.000 0.743 542 E HN 0.352 nan 8.360 nan 0.000 0.453 543 R N 0.436 120.896 120.500 -0.068 0.000 2.091 543 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 543 R C 2.400 178.730 176.300 0.051 0.000 1.136 543 R CA 1.156 57.251 56.100 -0.008 0.000 0.959 543 R CB -0.351 29.931 30.300 -0.029 0.000 0.856 543 R HN 0.118 nan 8.270 nan 0.000 0.437 544 A N 1.478 124.307 122.820 0.016 0.000 1.933 544 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 544 A C 1.547 179.221 177.584 0.151 0.000 1.175 544 A CA 1.721 53.792 52.037 0.057 0.000 0.628 544 A CB -0.327 18.660 19.000 -0.021 0.000 0.814 544 A HN 0.168 nan 8.150 nan 0.000 0.444 545 D N -0.265 120.191 120.400 0.093 0.000 2.117 545 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 545 D C 2.068 178.459 176.300 0.151 0.000 0.987 545 D CA 1.447 55.513 54.000 0.109 0.000 0.829 545 D CB -0.386 40.441 40.800 0.045 0.000 0.961 545 D HN 0.233 nan 8.370 nan 0.000 0.460 546 V N 0.737 120.745 119.914 0.157 0.000 2.307 546 V HA -0.203 3.916 4.120 -0.000 0.000 0.245 546 V C 2.158 178.452 176.094 0.332 0.000 1.045 546 V CA 1.158 63.594 62.300 0.228 0.000 1.024 546 V CB -0.591 31.338 31.823 0.176 0.000 0.651 546 V HN 0.084 nan 8.190 nan 0.000 0.449 547 F N 1.231 121.273 119.950 0.153 0.000 2.095 547 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 547 F C 2.674 178.619 175.800 0.242 0.000 1.104 547 F CA 2.323 60.422 58.000 0.165 0.000 1.232 547 F CB -0.272 38.778 39.000 0.084 0.000 0.987 547 F HN -0.074 nan 8.300 nan 0.000 0.475 548 R N 0.360 121.084 120.500 0.373 0.000 2.083 548 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 548 R C 2.578 178.957 176.300 0.133 0.000 1.137 548 R CA 1.800 58.104 56.100 0.340 0.000 0.951 548 R CB -0.458 30.062 30.300 0.366 0.000 0.851 548 R HN 0.302 nan 8.270 nan 0.000 0.434 549 R N -0.606 119.957 120.500 0.105 0.000 2.083 549 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 549 R C 2.089 178.316 176.300 -0.121 0.000 1.137 549 R CA 1.958 58.046 56.100 -0.020 0.000 0.951 549 R CB -0.322 29.940 30.300 -0.063 0.000 0.851 549 R HN 0.202 nan 8.270 nan 0.000 0.434 550 F N 0.918 120.804 119.950 -0.106 0.000 2.206 550 F HA -0.125 4.404 4.527 0.003 0.000 0.298 550 F C 2.490 178.168 175.800 -0.204 0.000 1.090 550 F CA 1.408 59.319 58.000 -0.148 0.000 1.323 550 F CB -0.451 38.451 39.000 -0.165 0.000 1.028 550 F HN 0.207 nan 8.300 nan 0.000 0.492 551 N N 1.210 119.826 118.700 -0.139 0.000 2.084 551 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 551 N C 1.971 177.373 175.510 -0.179 0.000 1.030 551 N CA 1.614 54.535 53.050 -0.216 0.000 0.849 551 N CB -0.235 38.088 38.487 -0.272 0.000 1.012 551 N HN 0.265 nan 8.380 nan 0.000 0.423 552 I N 1.170 121.638 120.570 -0.170 0.000 2.226 552 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 552 I C 2.796 178.845 176.117 -0.112 0.000 1.100 552 I CA 1.013 62.207 61.300 -0.177 0.000 1.374 552 I CB -0.397 37.533 38.000 -0.116 0.000 1.057 552 I HN 0.344 nan 8.210 nan 0.000 0.413 553 Q N 1.079 120.819 119.800 -0.100 0.000 2.061 553 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 553 Q C 2.383 178.358 176.000 -0.042 0.000 0.984 553 Q CA 2.144 57.898 55.803 -0.082 0.000 0.846 553 Q CB -0.149 28.507 28.738 -0.138 0.000 0.902 553 Q HN 0.514 nan 8.270 nan 0.000 0.421 554 M N -0.220 119.362 119.600 -0.030 0.000 2.117 554 M HA -0.155 4.324 4.480 -0.000 0.000 0.262 554 M C 1.854 178.144 176.300 -0.016 0.000 1.065 554 M CA 1.484 56.786 55.300 0.003 0.000 1.114 554 M CB 0.058 32.680 32.600 0.037 0.000 1.361 554 M HN 0.171 nan 8.290 nan 0.000 0.408 555 V N 0.734 120.599 119.914 -0.082 0.000 2.453 555 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 555 V C 2.372 178.480 176.094 0.023 0.000 1.048 555 V CA 1.556 63.792 62.300 -0.106 0.000 1.049 555 V CB -0.844 30.748 31.823 -0.385 0.000 0.672 555 V HN 0.466 nan 8.190 nan 0.000 0.457 556 E N 0.330 120.551 120.200 0.034 0.000 2.077 556 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 556 E C 2.218 178.847 176.600 0.049 0.000 0.989 556 E CA 1.283 57.730 56.400 0.079 0.000 0.800 556 E CB -0.198 29.530 29.700 0.046 0.000 0.746 556 E HN 0.697 nan 8.360 nan 0.000 0.452 557 E N 0.207 120.423 120.200 0.027 0.000 2.085 557 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 557 E C 2.156 178.777 176.600 0.035 0.000 0.994 557 E CA 1.101 57.517 56.400 0.026 0.000 0.801 557 E CB -0.167 29.546 29.700 0.022 0.000 0.743 557 E HN 0.254 nan 8.360 nan 0.000 0.453 558 M N 0.207 119.832 119.600 0.042 0.000 2.229 558 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 558 M C 2.327 178.661 176.300 0.056 0.000 1.063 558 M CA 1.102 56.431 55.300 0.048 0.000 1.114 558 M CB -0.089 32.539 32.600 0.046 0.000 1.387 558 M HN 0.068 nan 8.290 nan 0.000 0.420 559 A N -0.378 122.487 122.820 0.075 0.000 2.216 559 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 559 A C 1.935 179.542 177.584 0.038 0.000 1.160 559 A CA 1.107 53.187 52.037 0.071 0.000 0.725 559 A CB -0.536 18.522 19.000 0.096 0.000 0.784 559 A HN 0.509 nan 8.150 nan 0.000 0.472 560 M N -1.185 118.435 119.600 0.033 0.000 2.491 560 M HA 0.112 4.592 4.480 -0.000 0.000 0.259 560 M C 0.278 176.590 176.300 0.020 0.000 1.163 560 M CA 0.175 55.488 55.300 0.021 0.000 1.109 560 M CB 0.518 33.129 32.600 0.018 0.000 1.353 560 M HN 0.115 nan 8.290 nan 0.000 0.500 561 V N 0.288 120.217 119.914 0.025 0.000 3.441 561 V HA 0.145 4.264 4.120 -0.000 0.000 0.300 561 V C 0.399 176.507 176.094 0.023 0.000 1.062 561 V CA -0.713 61.600 62.300 0.023 0.000 1.064 561 V CB 0.754 32.593 31.823 0.026 0.000 1.197 561 V HN 0.171 nan 8.190 nan 0.000 0.451 562 E N 0.319 120.531 120.200 0.021 0.000 2.280 562 E HA 0.144 4.494 4.350 -0.000 0.000 0.264 562 E C 0.480 177.094 176.600 0.023 0.000 1.064 562 E CA -0.544 55.868 56.400 0.020 0.000 0.900 562 E CB 0.763 30.472 29.700 0.015 0.000 1.123 562 E HN 0.636 nan 8.360 nan 0.000 0.418 563 N N 1.638 120.352 118.700 0.022 0.000 2.586 563 N HA -0.174 4.565 4.740 -0.000 0.000 0.191 563 N C -0.209 175.315 175.510 0.022 0.000 1.085 563 N CA 0.547 53.612 53.050 0.024 0.000 0.921 563 N CB -0.068 38.432 38.487 0.022 0.000 0.954 563 N HN 0.394 nan 8.380 nan 0.000 0.448 564 D N -0.391 120.022 120.400 0.020 0.000 2.451 564 D HA -0.053 4.587 4.640 -0.000 0.000 0.254 564 D C 0.413 176.726 176.300 0.023 0.000 1.204 564 D CA 0.399 54.410 54.000 0.019 0.000 0.896 564 D CB 0.887 41.698 40.800 0.018 0.000 1.136 564 D HN 0.197 nan 8.370 nan 0.000 0.499 565 T N 4.337 118.904 114.554 0.021 0.000 2.759 565 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 565 T C 1.828 176.546 174.700 0.030 0.000 1.042 565 T CA 1.072 63.186 62.100 0.024 0.000 1.140 565 T CB 0.141 69.020 68.868 0.019 0.000 0.864 565 T HN 0.465 nan 8.240 nan 0.000 0.455 566 K N 0.730 121.147 120.400 0.028 0.000 2.097 566 K HA 0.073 4.393 4.320 -0.000 0.000 0.205 566 K C 2.673 179.294 176.600 0.036 0.000 1.050 566 K CA 0.986 57.292 56.287 0.031 0.000 0.938 566 K CB -0.234 32.281 32.500 0.025 0.000 0.718 566 K HN 0.298 nan 8.250 nan 0.000 0.442 567 A N 1.675 124.515 122.820 0.032 0.000 1.858 567 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 567 A C 2.042 179.653 177.584 0.044 0.000 1.190 567 A CA 1.309 53.366 52.037 0.033 0.000 0.617 567 A CB -0.427 18.590 19.000 0.028 0.000 0.827 567 A HN 0.198 nan 8.150 nan 0.000 0.443 568 R N -0.557 119.970 120.500 0.046 0.000 2.091 568 R HA -0.141 4.198 4.340 -0.000 0.000 0.238 568 R C 2.476 178.829 176.300 0.089 0.000 1.136 568 R CA 1.270 57.405 56.100 0.058 0.000 0.959 568 R CB -0.576 29.750 30.300 0.043 0.000 0.856 568 R HN 0.528 nan 8.270 nan 0.000 0.437 569 A N 1.352 124.222 122.820 0.084 0.000 1.940 569 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 569 A C 2.392 180.053 177.584 0.128 0.000 1.176 569 A CA 1.854 53.964 52.037 0.122 0.000 0.631 569 A CB -0.603 18.450 19.000 0.088 0.000 0.814 569 A HN 0.427 nan 8.150 nan 0.000 0.446 570 A N -0.627 122.239 122.820 0.078 0.000 1.898 570 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 570 A C 2.229 179.840 177.584 0.045 0.000 1.181 570 A CA 1.723 53.790 52.037 0.050 0.000 0.620 570 A CB -0.963 18.057 19.000 0.034 0.000 0.819 570 A HN 0.409 nan 8.150 nan 0.000 0.442 571 V N -1.121 118.831 119.914 0.063 0.000 2.287 571 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 571 V C 2.403 178.542 176.094 0.076 0.000 1.053 571 V CA 2.263 64.599 62.300 0.061 0.000 1.027 571 V CB -1.094 30.769 31.823 0.067 0.000 0.646 571 V HN 0.733 nan 8.190 nan 0.000 0.447 572 Y N 1.273 121.578 120.300 0.009 0.000 2.181 572 Y HA -0.222 4.327 4.550 -0.003 0.000 0.288 572 Y C 2.470 178.375 175.900 0.008 0.000 1.146 572 Y CA 1.778 59.883 58.100 0.008 0.000 1.164 572 Y CB -0.338 38.130 38.460 0.013 0.000 0.982 572 Y HN 0.165 nan 8.280 nan 0.000 0.515 573 K N -0.082 120.186 120.400 -0.219 0.000 2.057 573 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 573 K C 2.401 178.865 176.600 -0.226 0.000 1.049 573 K CA 1.550 57.666 56.287 -0.285 0.000 0.931 573 K CB -0.254 32.192 32.500 -0.090 0.000 0.714 573 K HN 0.277 nan 8.250 nan 0.000 0.440 574 R N 0.691 121.118 120.500 -0.122 0.000 2.075 574 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 574 R C 1.824 178.075 176.300 -0.081 0.000 1.126 574 R CA 1.848 57.904 56.100 -0.074 0.000 0.963 574 R CB -0.177 30.109 30.300 -0.024 0.000 0.858 574 R HN 0.121 nan 8.270 nan 0.000 0.435 575 T N -0.237 114.265 114.554 -0.086 0.000 2.857 575 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 575 T C 1.838 176.443 174.700 -0.159 0.000 1.048 575 T CA 1.351 63.432 62.100 -0.033 0.000 1.139 575 T CB -0.216 68.679 68.868 0.044 0.000 0.874 575 T HN 0.212 nan 8.240 nan 0.000 0.455 576 S N 0.940 116.438 115.700 -0.338 0.000 2.368 576 S HA -0.082 4.387 4.470 -0.000 0.000 0.225 576 S C 2.382 176.819 174.600 -0.271 0.000 1.030 576 S CA 1.254 59.225 58.200 -0.382 0.000 0.999 576 S CB -0.538 62.232 63.200 -0.717 0.000 0.844 576 S HN 0.534 nan 8.310 nan 0.000 0.459 577 A N 1.661 124.342 122.820 -0.231 0.000 1.858 577 A HA -0.072 4.247 4.320 -0.000 0.000 0.216 577 A C 2.245 179.729 177.584 -0.167 0.000 1.190 577 A CA 1.756 53.696 52.037 -0.162 0.000 0.617 577 A CB -0.800 18.130 19.000 -0.118 0.000 0.827 577 A HN 0.594 nan 8.150 nan 0.000 0.443 578 M N -1.356 118.152 119.600 -0.153 0.000 2.143 578 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 578 M C 2.183 178.202 176.300 -0.469 0.000 1.071 578 M CA 1.776 56.985 55.300 -0.153 0.000 1.088 578 M CB -0.446 32.190 32.600 0.060 0.000 1.360 578 M HN 0.494 nan 8.290 nan 0.000 0.404 579 L N -0.700 120.110 121.223 -0.689 0.000 2.179 579 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 579 L C 1.313 177.937 176.870 -0.411 0.000 1.096 579 L CA 1.158 55.462 54.840 -0.895 0.000 0.779 579 L CB -0.127 41.502 42.059 -0.717 0.000 0.922 579 L HN -0.002 nan 8.230 nan 0.000 0.443 1001 M N 1.882 121.621 119.600 0.232 0.000 2.185 1001 M HA 0.439 4.919 4.480 -0.000 0.000 0.357 1001 M C 0.221 176.572 176.300 0.086 0.000 1.260 1001 M CA -0.384 55.000 55.300 0.140 0.000 1.124 1001 M CB 0.893 33.557 32.600 0.107 0.000 1.600 1001 M HN 0.260 nan 8.290 nan 0.000 0.467 1002 I N 4.227 124.813 120.570 0.027 0.000 2.359 1002 I HA 0.336 4.506 4.170 -0.000 0.000 0.294 1002 I C -0.596 175.504 176.117 -0.028 0.000 0.987 1002 I CA -0.844 60.411 61.300 -0.076 0.000 1.225 1002 I CB 1.563 39.495 38.000 -0.113 0.000 1.366 1002 I HN 0.447 nan 8.210 nan 0.000 0.466 1003 L N 8.518 129.726 121.223 -0.024 0.000 2.318 1003 L HA 0.534 4.874 4.340 -0.000 0.000 0.277 1003 L C -0.660 176.235 176.870 0.041 0.000 1.008 1003 L CA -0.101 54.764 54.840 0.042 0.000 0.846 1003 L CB 0.875 42.997 42.059 0.105 0.000 1.220 1003 L HN 0.399 nan 8.230 nan 0.000 0.423 1004 I N 6.200 126.799 120.570 0.048 0.000 2.337 1004 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 1004 I C -0.214 175.970 176.117 0.112 0.000 1.046 1004 I CA -0.368 60.982 61.300 0.083 0.000 1.324 1004 I CB 0.798 38.846 38.000 0.080 0.000 1.409 1004 I HN 0.392 nan 8.210 nan 0.000 0.494 1005 I N 7.807 128.444 120.570 0.112 0.000 2.294 1005 I HA 0.085 4.254 4.170 -0.000 0.000 0.295 1005 I C -0.227 175.951 176.117 0.102 0.000 1.098 1005 I CA -0.195 61.102 61.300 -0.005 0.000 1.277 1005 I CB -0.333 37.485 38.000 -0.304 0.000 1.434 1005 I HN 0.502 nan 8.210 nan 0.000 0.498 1006 Y N 5.708 125.999 120.300 -0.016 0.000 2.326 1006 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 1006 Y C 0.343 176.275 175.900 0.054 0.000 1.023 1006 Y CA -0.574 57.554 58.100 0.047 0.000 1.143 1006 Y CB 1.302 39.796 38.460 0.057 0.000 1.183 1006 Y HN 0.609 nan 8.280 nan 0.000 0.485 1007 A N 5.721 128.401 122.820 -0.232 0.000 2.959 1007 A HA 0.138 4.458 4.320 -0.000 0.000 0.280 1007 A C -1.013 176.459 177.584 -0.187 0.000 0.953 1007 A CA -0.431 51.512 52.037 -0.156 0.000 1.047 1007 A CB -0.441 18.499 19.000 -0.101 0.000 1.147 1007 A HN 0.829 nan 8.150 nan 0.000 0.489 1008 H N 1.376 120.013 119.070 -0.723 0.000 2.767 1008 H HA 0.221 4.777 4.556 -0.001 0.000 0.316 1008 H C -2.033 172.887 175.328 -0.680 0.000 1.059 1008 H CA -1.390 54.334 56.048 -0.540 0.000 1.461 1008 H CB 1.563 31.030 29.762 -0.493 0.000 1.475 1008 H HN 0.125 nan 8.280 nan 0.000 0.531 1009 P HA -0.072 nan 4.420 nan 0.000 0.222 1009 P C -0.637 176.018 177.300 -1.075 0.000 1.147 1009 P CA 1.277 63.414 63.100 -1.606 0.000 0.790 1009 P CB 0.117 30.981 31.700 -1.393 0.000 0.780 1010 Y N -3.040 117.319 120.300 0.099 0.000 2.490 1010 Y HA 0.316 4.866 4.550 -0.000 0.000 0.346 1010 Y C -1.856 173.905 175.900 -0.231 0.000 1.023 1010 Y CA -2.340 55.771 58.100 0.018 0.000 1.142 1010 Y CB 0.429 38.960 38.460 0.118 0.000 1.126 1010 Y HN -0.002 nan 8.280 nan 0.000 0.647 1011 P HA -0.195 nan 4.420 nan 0.000 0.216 1011 P C 0.952 178.219 177.300 -0.056 0.000 1.150 1011 P CA 1.974 64.982 63.100 -0.152 0.000 0.843 1011 P CB 0.147 31.878 31.700 0.052 0.000 0.787 1012 H N -2.821 116.198 119.070 -0.086 0.000 2.524 1012 H HA -0.019 4.536 4.556 -0.000 0.000 0.282 1012 H C 1.411 176.557 175.328 -0.303 0.000 1.016 1012 H CA 0.413 56.347 56.048 -0.189 0.000 1.270 1012 H CB -0.165 29.458 29.762 -0.232 0.000 1.394 1012 H HN 0.350 nan 8.280 nan 0.000 0.568 1013 H N -0.396 118.648 119.070 -0.044 0.000 2.551 1013 H HA 0.112 4.668 4.556 -0.001 0.000 0.271 1013 H C 0.902 176.066 175.328 -0.273 0.000 0.984 1013 H CA -0.015 55.959 56.048 -0.123 0.000 1.164 1013 H CB 0.522 30.259 29.762 -0.041 0.000 1.437 1013 H HN 0.088 nan 8.280 nan 0.000 0.550 1014 S N 0.327 115.886 115.700 -0.235 0.000 2.564 1014 S HA 0.022 4.491 4.470 -0.000 0.000 0.278 1014 S C 1.016 175.464 174.600 -0.253 0.000 1.333 1014 S CA -0.363 57.713 58.200 -0.207 0.000 1.048 1014 S CB 0.795 63.849 63.200 -0.244 0.000 0.900 1014 S HN 0.376 nan 8.310 nan 0.000 0.505 1015 H N 3.138 122.251 119.070 0.071 0.000 2.367 1015 H HA 0.246 4.801 4.556 -0.000 0.000 0.304 1015 H C 2.172 177.519 175.328 0.030 0.000 1.023 1015 H CA 1.112 57.186 56.048 0.043 0.000 1.342 1015 H CB -0.666 29.123 29.762 0.044 0.000 1.486 1015 H HN 0.692 nan 8.280 nan 0.000 0.596 1016 A N 1.856 124.777 122.820 0.169 0.000 1.854 1016 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 1016 A C 2.156 179.762 177.584 0.037 0.000 1.192 1016 A CA 1.277 53.359 52.037 0.075 0.000 0.611 1016 A CB -0.468 18.551 19.000 0.031 0.000 0.832 1016 A HN 0.344 nan 8.150 nan 0.000 0.442 1017 N N -0.189 118.563 118.700 0.088 0.000 2.166 1017 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 1017 N C 1.808 177.301 175.510 -0.029 0.000 1.019 1017 N CA 1.554 54.647 53.050 0.071 0.000 0.856 1017 N CB -0.235 38.473 38.487 0.369 0.000 0.993 1017 N HN 0.606 nan 8.380 nan 0.000 0.426 1018 K N 1.532 121.934 120.400 0.004 0.000 2.063 1018 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 1018 K C 2.047 178.614 176.600 -0.055 0.000 1.048 1018 K CA 1.059 57.314 56.287 -0.053 0.000 0.928 1018 K CB 0.083 32.561 32.500 -0.036 0.000 0.713 1018 K HN 0.101 nan 8.250 nan 0.000 0.442 1019 R N -0.057 120.433 120.500 -0.017 0.000 2.075 1019 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 1019 R C 2.448 178.741 176.300 -0.012 0.000 1.126 1019 R CA 1.721 57.817 56.100 -0.006 0.000 0.963 1019 R CB -0.227 30.085 30.300 0.020 0.000 0.858 1019 R HN 0.275 nan 8.270 nan 0.000 0.435 1020 M N 0.438 120.014 119.600 -0.041 0.000 2.108 1020 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 1020 M C 2.183 178.508 176.300 0.041 0.000 1.066 1020 M CA 1.699 56.978 55.300 -0.036 0.000 1.107 1020 M CB -0.247 32.157 32.600 -0.327 0.000 1.356 1020 M HN 0.153 nan 8.290 nan 0.000 0.406 1021 L N -0.556 120.618 121.223 -0.082 0.000 2.109 1021 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 1021 L C 2.266 179.100 176.870 -0.060 0.000 1.086 1021 L CA 1.185 55.962 54.840 -0.104 0.000 0.760 1021 L CB -0.573 41.316 42.059 -0.283 0.000 0.910 1021 L HN 0.324 nan 8.230 nan 0.000 0.437 1022 E N -0.361 119.808 120.200 -0.052 0.000 2.070 1022 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 1022 E C 2.305 178.890 176.600 -0.024 0.000 1.004 1022 E CA 1.259 57.638 56.400 -0.035 0.000 0.805 1022 E CB -0.015 29.669 29.700 -0.026 0.000 0.744 1022 E HN 0.438 nan 8.360 nan 0.000 0.451 1023 Q N -0.116 119.679 119.800 -0.008 0.000 2.050 1023 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 1023 Q C 2.281 178.252 176.000 -0.049 0.000 0.980 1023 Q CA 1.415 57.209 55.803 -0.014 0.000 0.840 1023 Q CB -0.382 28.363 28.738 0.011 0.000 0.898 1023 Q HN 0.272 nan 8.270 nan 0.000 0.424 1024 A N 1.285 124.076 122.820 -0.050 0.000 1.972 1024 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 1024 A C 2.083 179.616 177.584 -0.085 0.000 1.169 1024 A CA 1.094 53.057 52.037 -0.124 0.000 0.635 1024 A CB -0.423 18.509 19.000 -0.113 0.000 0.810 1024 A HN 0.221 nan 8.150 nan 0.000 0.446 1025 R N -0.478 119.989 120.500 -0.055 0.000 2.189 1025 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 1025 R C 2.087 178.365 176.300 -0.038 0.000 1.092 1025 R CA 1.594 57.668 56.100 -0.044 0.000 0.989 1025 R CB -0.519 29.758 30.300 -0.038 0.000 0.876 1025 R HN 0.769 nan 8.270 nan 0.000 0.457 1026 T N -1.754 112.775 114.554 -0.041 0.000 3.118 1026 T HA 0.110 4.459 4.350 -0.000 0.000 0.260 1026 T C 1.042 175.721 174.700 -0.036 0.000 1.139 1026 T CA 0.208 62.288 62.100 -0.034 0.000 1.085 1026 T CB -0.022 68.828 68.868 -0.030 0.000 0.934 1026 T HN -0.031 nan 8.240 nan 0.000 0.518 1027 L N 0.854 122.049 121.223 -0.047 0.000 2.454 1027 L HA 0.493 4.832 4.340 -0.000 0.000 0.256 1027 L C 0.426 177.282 176.870 -0.024 0.000 1.136 1027 L CA -0.999 53.817 54.840 -0.041 0.000 0.804 1027 L CB 0.782 42.805 42.059 -0.061 0.000 1.181 1027 L HN 0.169 nan 8.230 nan 0.000 0.469 1028 E N -0.337 119.856 120.200 -0.011 0.000 2.248 1028 E HA 0.374 4.723 4.350 -0.000 0.000 0.272 1028 E C 0.438 177.045 176.600 0.012 0.000 1.008 1028 E CA 0.096 56.496 56.400 0.000 0.000 0.856 1028 E CB 1.267 30.970 29.700 0.004 0.000 1.120 1028 E HN 0.784 nan 8.360 nan 0.000 0.397 1029 G N 0.931 109.742 108.800 0.018 0.000 2.179 1029 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.257 1029 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.257 1029 G C 0.004 174.919 174.900 0.025 0.000 1.010 1029 G CA 0.135 45.254 45.100 0.032 0.000 0.736 1029 G HN 0.305 nan 8.290 nan 0.000 0.513 1030 V N 0.400 120.317 119.914 0.005 0.000 2.407 1030 V HA 0.603 4.722 4.120 -0.000 0.000 0.278 1030 V C 0.399 176.496 176.094 0.005 0.000 1.037 1030 V CA -0.236 62.059 62.300 -0.008 0.000 0.900 1030 V CB 1.771 33.573 31.823 -0.036 0.000 0.983 1030 V HN 0.480 nan 8.190 nan 0.000 0.459 1031 E N 4.918 125.127 120.200 0.016 0.000 2.222 1031 E HA 0.636 4.986 4.350 -0.000 0.000 0.267 1031 E C -1.494 175.126 176.600 0.034 0.000 0.884 1031 E CA -0.738 55.680 56.400 0.030 0.000 0.764 1031 E CB 1.828 31.558 29.700 0.050 0.000 1.169 1031 E HN 0.643 nan 8.360 nan 0.000 0.413 1032 I N 4.006 124.596 120.570 0.033 0.000 2.406 1032 I HA 0.413 4.582 4.170 -0.000 0.000 0.290 1032 I C -0.228 175.930 176.117 0.069 0.000 0.999 1032 I CA -0.772 60.555 61.300 0.045 0.000 1.124 1032 I CB 1.682 39.687 38.000 0.007 0.000 1.289 1032 I HN 0.389 nan 8.210 nan 0.000 0.441 1033 R N 3.856 124.412 120.500 0.095 0.000 2.337 1033 R HA 0.333 4.672 4.340 -0.000 0.000 0.319 1033 R C -0.560 175.802 176.300 0.105 0.000 0.954 1033 R CA -0.465 55.687 56.100 0.086 0.000 0.840 1033 R CB 1.856 32.220 30.300 0.107 0.000 1.164 1033 R HN 0.524 nan 8.270 nan 0.000 0.472 1034 S N 4.319 120.084 115.700 0.109 0.000 2.399 1034 S HA 0.171 4.641 4.470 -0.000 0.000 0.301 1034 S C 1.487 176.092 174.600 0.008 0.000 1.093 1034 S CA -0.626 57.671 58.200 0.162 0.000 1.077 1034 S CB 0.311 63.645 63.200 0.223 0.000 0.980 1034 S HN 0.625 nan 8.310 nan 0.000 0.494 1035 L N 4.481 125.675 121.223 -0.048 0.000 2.046 1035 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 1035 L C 1.403 178.149 176.870 -0.207 0.000 1.077 1035 L CA 1.528 56.292 54.840 -0.127 0.000 0.747 1035 L CB -0.511 41.395 42.059 -0.255 0.000 0.896 1035 L HN 0.724 nan 8.230 nan 0.000 0.432 1036 Y N -0.540 119.661 120.300 -0.165 0.000 2.561 1036 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 1036 Y C 2.657 178.484 175.900 -0.122 0.000 1.141 1036 Y CA 0.720 58.724 58.100 -0.161 0.000 1.303 1036 Y CB -0.056 38.278 38.460 -0.209 0.000 1.015 1036 Y HN 0.220 nan 8.280 nan 0.000 0.547 1037 Q N 0.450 120.254 119.800 0.006 0.000 2.123 1037 Q HA -0.046 4.294 4.340 -0.000 0.000 0.196 1037 Q C 1.712 177.643 176.000 -0.114 0.000 0.958 1037 Q CA 1.460 57.244 55.803 -0.032 0.000 0.841 1037 Q CB -0.288 28.446 28.738 -0.007 0.000 0.915 1037 Q HN 0.511 nan 8.270 nan 0.000 0.455 1038 L N -1.044 120.025 121.223 -0.257 0.000 2.131 1038 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 1038 L C 0.411 176.884 176.870 -0.662 0.000 1.087 1038 L CA 0.749 55.255 54.840 -0.556 0.000 0.767 1038 L CB 0.086 41.586 42.059 -0.932 0.000 0.917 1038 L HN 0.221 nan 8.230 nan 0.000 0.441 1039 Y N -1.133 119.122 120.300 -0.074 0.000 2.480 1039 Y HA 0.245 4.794 4.550 -0.000 0.000 0.356 1039 Y C -1.593 174.261 175.900 -0.077 0.000 0.922 1039 Y CA -1.650 56.397 58.100 -0.089 0.000 1.146 1039 Y CB 0.098 38.460 38.460 -0.164 0.000 1.185 1039 Y HN -0.022 nan 8.280 nan 0.000 0.624 1040 P HA -0.146 nan 4.420 nan 0.000 0.225 1040 P C 0.173 177.670 177.300 0.329 0.000 1.148 1040 P CA 1.446 64.665 63.100 0.199 0.000 0.779 1040 P CB 0.465 32.258 31.700 0.154 0.000 0.780 1041 D N -0.957 119.618 120.400 0.292 0.000 2.358 1041 D HA 0.087 4.726 4.640 -0.000 0.000 0.224 1041 D C -0.045 176.507 176.300 0.421 0.000 1.123 1041 D CA -0.344 53.839 54.000 0.304 0.000 0.833 1041 D CB -0.315 40.602 40.800 0.194 0.000 0.946 1041 D HN 0.006 nan 8.370 nan 0.000 0.505 1042 F N 1.878 121.861 119.950 0.056 0.000 3.067 1042 F HA -0.246 4.281 4.527 -0.001 0.000 0.279 1042 F C 0.279 176.063 175.800 -0.027 0.000 0.945 1042 F CA -0.014 57.988 58.000 0.004 0.000 0.948 1042 F CB -2.400 36.613 39.000 0.021 0.000 0.898 1042 F HN 0.161 nan 8.300 nan 0.000 0.746 1043 N N 0.760 119.511 118.700 0.085 0.000 2.976 1043 N HA 0.340 5.080 4.740 -0.000 0.000 0.255 1043 N C -0.194 175.157 175.510 -0.264 0.000 1.312 1043 N CA -0.409 52.631 53.050 -0.017 0.000 0.897 1043 N CB 0.243 38.775 38.487 0.076 0.000 1.184 1043 N HN 0.359 nan 8.380 nan 0.000 0.497 1044 I N 0.357 120.620 120.570 -0.512 0.000 2.648 1044 I HA -0.063 4.107 4.170 -0.000 0.000 0.284 1044 I C 0.498 176.298 176.117 -0.529 0.000 1.153 1044 I CA 0.187 60.892 61.300 -0.993 0.000 1.426 1044 I CB 0.519 38.101 38.000 -0.697 0.000 1.381 1044 I HN 0.306 nan 8.210 nan 0.000 0.571 1045 D N 7.275 127.417 120.400 -0.430 0.000 2.422 1045 D HA 0.184 4.824 4.640 -0.000 0.000 0.227 1045 D C 1.010 177.223 176.300 -0.146 0.000 1.190 1045 D CA -0.109 53.824 54.000 -0.112 0.000 0.905 1045 D CB 0.649 41.508 40.800 0.097 0.000 1.034 1045 D HN 0.379 nan 8.370 nan 0.000 0.507 1046 I N 2.585 123.035 120.570 -0.199 0.000 2.226 1046 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 1046 I C 2.389 178.355 176.117 -0.251 0.000 1.100 1046 I CA 1.080 62.222 61.300 -0.263 0.000 1.374 1046 I CB -0.068 37.779 38.000 -0.256 0.000 1.057 1046 I HN 0.406 nan 8.210 nan 0.000 0.413 1047 A N 0.734 123.447 122.820 -0.177 0.000 1.902 1047 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 1047 A C 2.543 180.066 177.584 -0.102 0.000 1.181 1047 A CA 1.920 53.864 52.037 -0.155 0.000 0.623 1047 A CB -0.839 18.100 19.000 -0.101 0.000 0.818 1047 A HN 0.437 nan 8.150 nan 0.000 0.443 1048 A N -0.470 122.323 122.820 -0.045 0.000 1.898 1048 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 1048 A C 1.943 179.562 177.584 0.058 0.000 1.181 1048 A CA 1.653 53.703 52.037 0.023 0.000 0.620 1048 A CB -0.376 18.668 19.000 0.074 0.000 0.819 1048 A HN 0.453 nan 8.150 nan 0.000 0.442 1049 E N 0.140 120.363 120.200 0.038 0.000 2.047 1049 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 1049 E C 2.158 178.773 176.600 0.024 0.000 0.987 1049 E CA 1.415 57.874 56.400 0.098 0.000 0.799 1049 E CB -0.521 29.163 29.700 -0.026 0.000 0.752 1049 E HN 0.784 nan 8.360 nan 0.000 0.449 1050 Q N 0.343 120.017 119.800 -0.210 0.000 2.124 1050 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 1050 Q C 2.209 178.228 176.000 0.032 0.000 0.977 1050 Q CA 0.968 56.566 55.803 -0.342 0.000 0.850 1050 Q CB -0.019 28.149 28.738 -0.950 0.000 0.901 1050 Q HN 0.196 nan 8.270 nan 0.000 0.429 1051 E N 0.762 120.975 120.200 0.022 0.000 2.058 1051 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 1051 E C 1.841 178.527 176.600 0.143 0.000 0.997 1051 E CA 1.413 57.869 56.400 0.093 0.000 0.801 1051 E CB -0.040 29.693 29.700 0.055 0.000 0.746 1051 E HN 0.328 nan 8.360 nan 0.000 0.450 1052 A N 0.993 123.905 122.820 0.153 0.000 1.930 1052 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 1052 A C 2.469 180.191 177.584 0.231 0.000 1.175 1052 A CA 1.080 53.224 52.037 0.180 0.000 0.627 1052 A CB -0.650 18.465 19.000 0.192 0.000 0.815 1052 A HN 0.295 nan 8.150 nan 0.000 0.443 1053 L N 0.547 121.957 121.223 0.312 0.000 2.131 1053 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 1053 L C 2.991 180.047 176.870 0.309 0.000 1.092 1053 L CA 1.514 56.586 54.840 0.386 0.000 0.759 1053 L CB -0.460 41.956 42.059 0.595 0.000 0.903 1053 L HN 0.624 nan 8.230 nan 0.000 0.435 1054 S N 0.019 115.903 115.700 0.306 0.000 2.399 1054 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 1054 S C 2.002 176.694 174.600 0.153 0.000 1.022 1054 S CA 0.915 59.251 58.200 0.226 0.000 0.983 1054 S CB -0.315 63.020 63.200 0.225 0.000 0.803 1054 S HN 0.433 nan 8.310 nan 0.000 0.480 1055 R N 1.126 121.717 120.500 0.151 0.000 2.276 1055 R HA 0.429 4.769 4.340 -0.000 0.000 0.196 1055 R C 0.771 177.142 176.300 0.118 0.000 0.961 1055 R CA 0.481 56.652 56.100 0.119 0.000 1.024 1055 R CB -0.026 30.337 30.300 0.105 0.000 0.940 1055 R HN 0.495 nan 8.270 nan 0.000 0.480 1056 A N 0.722 123.623 122.820 0.134 0.000 2.304 1056 A HA 0.218 4.537 4.320 -0.000 0.000 0.301 1056 A C -0.160 177.492 177.584 0.113 0.000 1.132 1056 A CA -0.676 51.430 52.037 0.114 0.000 0.819 1056 A CB 0.746 19.818 19.000 0.120 0.000 1.094 1056 A HN 0.003 nan 8.150 nan 0.000 0.492 1057 D N 0.180 120.648 120.400 0.114 0.000 2.490 1057 D HA 0.074 4.714 4.640 -0.000 0.000 0.244 1057 D C -0.016 176.301 176.300 0.027 0.000 0.979 1057 D CA 0.614 54.727 54.000 0.188 0.000 0.924 1057 D CB 0.090 41.128 40.800 0.397 0.000 1.075 1057 D HN 0.353 nan 8.370 nan 0.000 0.488 1058 L N 1.623 122.644 121.223 -0.338 0.000 2.282 1058 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 1058 L C -0.841 175.836 176.870 -0.322 0.000 1.033 1058 L CA -0.421 54.012 54.840 -0.679 0.000 0.807 1058 L CB 1.135 42.277 42.059 -1.528 0.000 1.209 1058 L HN -0.157 nan 8.230 nan 0.000 0.423 1059 I N 5.575 126.010 120.570 -0.224 0.000 2.354 1059 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 1059 I C -0.693 175.307 176.117 -0.196 0.000 0.989 1059 I CA -0.785 60.451 61.300 -0.107 0.000 1.188 1059 I CB 1.777 39.790 38.000 0.022 0.000 1.342 1059 I HN 0.247 nan 8.210 nan 0.000 0.457 1060 V N 4.985 124.841 119.914 -0.096 0.000 2.459 1060 V HA 0.326 4.445 4.120 -0.000 0.000 0.295 1060 V C -0.925 175.270 176.094 0.169 0.000 1.029 1060 V CA -0.586 61.697 62.300 -0.028 0.000 0.874 1060 V CB 1.594 33.432 31.823 0.026 0.000 0.985 1060 V HN 0.552 nan 8.190 nan 0.000 0.438 1061 W N 3.948 125.335 121.300 0.144 0.000 2.283 1061 W HA 0.504 5.164 4.660 -0.000 0.000 0.317 1061 W C 0.178 176.870 176.519 0.288 0.000 1.042 1061 W CA -0.861 56.601 57.345 0.195 0.000 1.348 1061 W CB 0.721 30.357 29.460 0.293 0.000 1.216 1061 W HN 0.570 nan 8.180 nan 0.000 0.404 1062 Q N 4.539 124.595 119.800 0.428 0.000 2.322 1062 Q HA 0.448 4.788 4.340 -0.000 0.000 0.265 1062 Q C -0.890 175.317 176.000 0.346 0.000 0.985 1062 Q CA -0.321 55.653 55.803 0.286 0.000 0.849 1062 Q CB 1.346 30.222 28.738 0.230 0.000 1.274 1062 Q HN 0.673 nan 8.270 nan 0.000 0.449 1063 H N 0.890 120.048 119.070 0.147 0.000 2.987 1063 H HA 0.520 5.076 4.556 -0.000 0.000 0.316 1063 H C -3.086 172.237 175.328 -0.008 0.000 1.380 1063 H CA -1.839 54.246 56.048 0.061 0.000 1.160 1063 H CB 0.924 30.712 29.762 0.043 0.000 1.865 1063 H HN 0.336 nan 8.280 nan 0.000 0.521 1064 P HA 0.095 nan 4.420 nan 0.000 0.280 1064 P C -0.281 177.105 177.300 0.144 0.000 1.244 1064 P CA -0.433 62.623 63.100 -0.075 0.000 0.784 1064 P CB 1.025 32.581 31.700 -0.239 0.000 0.913 1065 M N 3.439 123.076 119.600 0.063 0.000 2.239 1065 M HA 0.055 4.535 4.480 -0.000 0.000 0.348 1065 M C -0.360 175.990 176.300 0.083 0.000 1.239 1065 M CA 0.944 56.374 55.300 0.216 0.000 1.114 1065 M CB 0.033 32.768 32.600 0.224 0.000 1.641 1065 M HN 0.304 nan 8.290 nan 0.000 0.453 1066 Q N 4.742 124.617 119.800 0.125 0.000 2.292 1066 Q HA 0.203 4.542 4.340 -0.000 0.000 0.270 1066 Q C -1.569 174.514 176.000 0.138 0.000 1.024 1066 Q CA -0.552 55.258 55.803 0.012 0.000 0.768 1066 Q CB 1.249 30.030 28.738 0.072 0.000 1.250 1066 Q HN 0.980 nan 8.270 nan 0.000 0.447 1067 W N 2.547 123.852 121.300 0.009 0.000 6.486 1067 W HA -0.311 4.349 4.660 -0.000 0.000 0.411 1067 W C -0.564 176.091 176.519 0.227 0.000 1.595 1067 W CA 0.464 57.841 57.345 0.054 0.000 1.075 1067 W CB -2.081 27.468 29.460 0.149 0.000 2.798 1067 W HN 0.911 nan 8.180 nan 0.000 1.534 1068 Y N -2.586 117.968 120.300 0.422 0.000 4.409 1068 Y HA -0.355 4.194 4.550 -0.001 0.000 0.228 1068 Y C 1.063 177.173 175.900 0.349 0.000 1.108 1068 Y CA 1.387 59.743 58.100 0.426 0.000 1.955 1068 Y CB -2.026 36.663 38.460 0.381 0.000 1.615 1068 Y HN 0.305 nan 8.280 nan 0.000 0.665 1069 S N -0.993 114.958 115.700 0.418 0.000 3.211 1069 S HA 0.806 5.276 4.470 -0.000 0.000 0.320 1069 S C -0.880 173.908 174.600 0.313 0.000 1.225 1069 S CA -0.392 58.005 58.200 0.329 0.000 1.044 1069 S CB 0.498 63.843 63.200 0.241 0.000 1.410 1069 S HN 0.570 nan 8.310 nan 0.000 0.640 1070 I N 0.106 120.740 120.570 0.107 0.000 2.863 1070 I HA 0.766 4.936 4.170 -0.000 0.000 0.311 1070 I C -2.873 173.155 176.117 -0.148 0.000 1.026 1070 I CA -2.847 58.343 61.300 -0.183 0.000 1.077 1070 I CB 1.584 39.395 38.000 -0.316 0.000 1.262 1070 I HN 0.318 nan 8.210 nan 0.000 0.461 1071 P HA 0.315 nan 4.420 nan 0.000 0.274 1071 P C -2.269 175.035 177.300 0.006 0.000 1.231 1071 P CA -1.277 61.799 63.100 -0.040 0.000 0.790 1071 P CB 0.153 31.853 31.700 0.001 0.000 0.951 1072 P HA -0.173 nan 4.420 nan 0.000 0.216 1072 P C 1.346 178.682 177.300 0.059 0.000 1.153 1072 P CA 0.971 64.168 63.100 0.162 0.000 0.858 1072 P CB -0.083 31.819 31.700 0.336 0.000 0.789 1073 L N -1.363 119.790 121.223 -0.117 0.000 2.217 1073 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 1073 L C 2.006 178.646 176.870 -0.384 0.000 1.107 1073 L CA 1.411 55.886 54.840 -0.608 0.000 0.783 1073 L CB -1.308 39.854 42.059 -1.495 0.000 0.919 1073 L HN -0.136 nan 8.230 nan 0.000 0.442 1074 L N -0.361 120.678 121.223 -0.306 0.000 2.093 1074 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 1074 L C 2.460 179.159 176.870 -0.285 0.000 1.085 1074 L CA 1.751 56.377 54.840 -0.358 0.000 0.755 1074 L CB -0.793 40.989 42.059 -0.462 0.000 0.904 1074 L HN 0.219 nan 8.230 nan 0.000 0.435 1075 K N -0.364 119.904 120.400 -0.219 0.000 2.057 1075 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 1075 K C 2.030 178.568 176.600 -0.103 0.000 1.049 1075 K CA 1.824 58.011 56.287 -0.166 0.000 0.931 1075 K CB -0.780 31.660 32.500 -0.099 0.000 0.714 1075 K HN 0.333 nan 8.250 nan 0.000 0.440 1076 L N -0.362 120.820 121.223 -0.069 0.000 2.046 1076 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 1076 L C 2.064 178.900 176.870 -0.056 0.000 1.077 1076 L CA 1.840 56.659 54.840 -0.036 0.000 0.747 1076 L CB -0.717 41.337 42.059 -0.009 0.000 0.896 1076 L HN 0.460 nan 8.230 nan 0.000 0.432 1077 W N 0.237 121.360 121.300 -0.295 0.000 2.335 1077 W HA -0.252 4.408 4.660 0.000 0.000 0.311 1077 W C 2.289 178.616 176.519 -0.320 0.000 1.213 1077 W CA 2.308 59.473 57.345 -0.300 0.000 1.274 1077 W CB -0.115 29.156 29.460 -0.314 0.000 1.148 1077 W HN 0.171 nan 8.180 nan 0.000 0.498 1078 I N 0.531 121.083 120.570 -0.030 0.000 2.179 1078 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 1078 I C 2.004 178.009 176.117 -0.186 0.000 1.088 1078 I CA 1.841 62.961 61.300 -0.300 0.000 1.357 1078 I CB -0.734 37.072 38.000 -0.324 0.000 1.051 1078 I HN -0.101 nan 8.210 nan 0.000 0.409 1079 D N 0.685 121.025 120.400 -0.100 0.000 2.178 1079 D HA -0.142 4.497 4.640 -0.000 0.000 0.201 1079 D C 2.179 178.473 176.300 -0.009 0.000 0.980 1079 D CA 1.091 55.078 54.000 -0.021 0.000 0.842 1079 D CB -0.062 40.731 40.800 -0.011 0.000 0.948 1079 D HN 0.197 nan 8.370 nan 0.000 0.472 1080 K N -0.144 120.195 120.400 -0.100 0.000 2.168 1080 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 1080 K C 2.078 178.562 176.600 -0.193 0.000 1.049 1080 K CA 0.195 56.404 56.287 -0.130 0.000 0.974 1080 K CB -0.083 32.308 32.500 -0.183 0.000 0.792 1080 K HN 0.070 nan 8.250 nan 0.000 0.463 1081 V N 0.688 120.384 119.914 -0.362 0.000 2.725 1081 V HA -0.007 4.113 4.120 -0.000 0.000 0.247 1081 V C 0.758 176.876 176.094 0.040 0.000 1.058 1081 V CA 0.669 62.696 62.300 -0.455 0.000 1.080 1081 V CB -0.259 30.881 31.823 -1.140 0.000 0.713 1081 V HN 0.015 nan 8.190 nan 0.000 0.465 1082 F N 2.984 122.897 119.950 -0.060 0.000 2.661 1082 F HA 0.315 4.842 4.527 -0.001 0.000 0.356 1082 F C 1.118 177.124 175.800 0.344 0.000 1.244 1082 F CA -1.037 57.117 58.000 0.256 0.000 1.290 1082 F CB -1.130 38.047 39.000 0.295 0.000 1.677 1082 F HN 0.119 nan 8.300 nan 0.000 0.649 1083 S N -0.298 115.649 115.700 0.412 0.000 2.610 1083 S HA 0.266 4.736 4.470 -0.000 0.000 0.273 1083 S C -0.327 174.319 174.600 0.077 0.000 1.274 1083 S CA -0.731 57.622 58.200 0.254 0.000 1.023 1083 S CB 0.911 64.165 63.200 0.092 0.000 0.962 1083 S HN 0.562 nan 8.310 nan 0.000 0.523 1084 H N 0.559 119.502 119.070 -0.212 0.000 3.004 1084 H HA 0.395 4.951 4.556 -0.000 0.000 0.316 1084 H C 1.543 176.701 175.328 -0.283 0.000 1.014 1084 H CA 1.699 57.350 56.048 -0.663 0.000 1.454 1084 H CB -0.299 29.247 29.762 -0.361 0.000 1.472 1084 H HN 1.165 nan 8.280 nan 0.000 0.571 1085 G N 2.776 111.111 108.800 -0.774 0.000 2.175 1085 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.244 1085 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.244 1085 G C 0.717 175.534 174.900 -0.137 0.000 0.982 1085 G CA 0.497 45.361 45.100 -0.394 0.000 0.641 1085 G HN 0.717 nan 8.290 nan 0.000 0.527 1086 W N -0.179 120.953 121.300 -0.280 0.000 3.772 1086 W HA 0.582 5.241 4.660 -0.000 0.000 0.224 1086 W C 2.200 178.613 176.519 -0.176 0.000 1.009 1086 W CA 1.841 59.078 57.345 -0.180 0.000 1.889 1086 W CB -0.175 29.222 29.460 -0.105 0.000 0.909 1086 W HN 0.453 nan 8.180 nan 0.000 0.794 1087 A N -0.812 122.042 122.820 0.056 0.000 2.115 1087 A HA 0.287 4.607 4.320 -0.000 0.000 0.211 1087 A C -0.260 177.366 177.584 0.070 0.000 1.169 1087 A CA 1.308 53.315 52.037 -0.050 0.000 0.787 1087 A CB -0.427 18.654 19.000 0.134 0.000 0.858 1087 A HN 0.581 nan 8.150 nan 0.000 0.474 1088 Y N -4.485 115.789 120.300 -0.044 0.000 2.764 1088 Y HA 0.559 5.109 4.550 -0.000 0.000 0.331 1088 Y C 0.251 176.058 175.900 -0.155 0.000 1.280 1088 Y CA -1.237 56.839 58.100 -0.040 0.000 1.065 1088 Y CB 0.141 38.702 38.460 0.168 0.000 1.319 1088 Y HN 1.209 nan 8.280 nan 0.000 0.453 1089 G N 0.401 109.175 108.800 -0.044 0.000 2.828 1089 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.463 1089 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.463 1089 G C -0.938 173.851 174.900 -0.184 0.000 1.394 1089 G CA -0.042 44.935 45.100 -0.205 0.000 0.862 1089 G HN 1.607 nan 8.290 nan 0.000 0.540 1090 H N 0.584 119.555 119.070 -0.165 0.000 3.157 1090 H HA 0.396 4.952 4.556 -0.000 0.000 0.299 1090 H C 1.763 176.983 175.328 -0.181 0.000 0.961 1090 H CA 2.226 58.204 56.048 -0.116 0.000 1.428 1090 H CB 0.060 29.798 29.762 -0.039 0.000 1.459 1090 H HN 2.413 nan 8.280 nan 0.000 0.566 1091 G N 2.956 111.427 108.800 -0.548 0.000 2.179 1091 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 1091 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 1091 G C 0.761 175.450 174.900 -0.353 0.000 0.977 1091 G CA 0.312 45.147 45.100 -0.443 0.000 0.641 1091 G HN 1.102 nan 8.290 nan 0.000 0.533 1092 G N 0.651 109.232 108.800 -0.364 0.000 3.506 1092 G HA2 0.517 4.477 3.960 -0.000 0.000 0.268 1092 G HA3 0.517 4.477 3.960 -0.000 0.000 0.268 1092 G C 0.878 175.469 174.900 -0.513 0.000 0.959 1092 G CA 1.046 45.915 45.100 -0.385 0.000 1.823 1092 G HN 1.170 nan 8.290 nan 0.000 0.615 1093 T N -2.539 111.612 114.554 -0.672 0.000 3.129 1093 T HA 0.407 4.757 4.350 -0.000 0.000 0.267 1093 T C 2.018 176.228 174.700 -0.818 0.000 1.018 1093 T CA 0.619 62.077 62.100 -1.070 0.000 0.903 1093 T CB 1.011 69.380 68.868 -0.831 0.000 1.067 1093 T HN 0.267 nan 8.240 nan 0.000 0.549 1094 A N 1.630 123.941 122.820 -0.848 0.000 2.019 1094 A HA 0.235 4.555 4.320 -0.000 0.000 0.219 1094 A C 2.025 179.213 177.584 -0.660 0.000 1.164 1094 A CA 0.920 52.405 52.037 -0.920 0.000 0.644 1094 A CB -0.611 17.248 19.000 -1.902 0.000 0.805 1094 A HN 0.599 nan 8.150 nan 0.000 0.449 1095 L N -0.872 120.023 121.223 -0.547 0.000 2.585 1095 L HA 0.114 4.454 4.340 -0.000 0.000 0.226 1095 L C 0.057 176.904 176.870 -0.040 0.000 1.113 1095 L CA -0.521 54.160 54.840 -0.266 0.000 0.876 1095 L CB -0.309 41.565 42.059 -0.307 0.000 1.072 1095 L HN 0.282 nan 8.230 nan 0.000 0.468 1096 H N 0.674 119.602 119.070 -0.236 0.000 2.964 1096 H HA 0.258 4.813 4.556 -0.000 0.000 0.328 1096 H C 1.253 176.507 175.328 -0.122 0.000 1.030 1096 H CA 0.494 56.442 56.048 -0.167 0.000 1.445 1096 H CB 0.566 30.233 29.762 -0.158 0.000 1.449 1096 H HN 0.254 nan 8.280 nan 0.000 0.581 1097 G N 2.501 111.281 108.800 -0.033 0.000 2.241 1097 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 1097 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 1097 G C 0.468 175.330 174.900 -0.063 0.000 0.998 1097 G CA 0.129 45.208 45.100 -0.035 0.000 0.621 1097 G HN 0.555 nan 8.290 nan 0.000 0.519 1098 K N 0.670 121.030 120.400 -0.067 0.000 2.107 1098 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 1098 K C -0.046 176.446 176.600 -0.181 0.000 1.012 1098 K CA -0.548 55.727 56.287 -0.020 0.000 0.920 1098 K CB 0.539 33.047 32.500 0.013 0.000 1.033 1098 K HN 0.418 nan 8.250 nan 0.000 0.478 1099 H N 0.466 119.512 119.070 -0.039 0.000 2.573 1099 H HA 0.375 4.930 4.556 -0.000 0.000 0.351 1099 H C -1.084 174.120 175.328 -0.207 0.000 1.163 1099 H CA -0.909 55.076 56.048 -0.104 0.000 1.205 1099 H CB 1.873 31.549 29.762 -0.144 0.000 1.605 1099 H HN 0.173 nan 8.280 nan 0.000 0.525 1100 L N 2.822 123.984 121.223 -0.101 0.000 2.381 1100 L HA 0.310 4.650 4.340 -0.000 0.000 0.274 1100 L C -1.648 175.009 176.870 -0.355 0.000 0.988 1100 L CA -0.747 53.944 54.840 -0.249 0.000 0.824 1100 L CB 1.555 43.477 42.059 -0.228 0.000 1.263 1100 L HN 0.381 nan 8.230 nan 0.000 0.410 1101 L N 5.139 126.142 121.223 -0.365 0.000 2.305 1101 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 1101 L C -1.515 175.279 176.870 -0.126 0.000 1.013 1101 L CA -0.132 54.517 54.840 -0.318 0.000 0.819 1101 L CB 1.313 43.228 42.059 -0.239 0.000 1.227 1101 L HN 0.753 nan 8.230 nan 0.000 0.417 1102 W N 6.205 127.281 121.300 -0.372 0.000 2.345 1102 W HA 0.624 5.284 4.660 -0.000 0.000 0.308 1102 W C -0.688 175.854 176.519 0.037 0.000 1.273 1102 W CA -1.097 56.227 57.345 -0.035 0.000 1.243 1102 W CB 1.007 30.518 29.460 0.084 0.000 1.260 1102 W HN 0.727 nan 8.180 nan 0.000 0.509 1103 A N 6.640 129.493 122.820 0.055 0.000 2.323 1103 A HA 0.616 4.936 4.320 -0.000 0.000 0.305 1103 A C -1.785 175.573 177.584 -0.376 0.000 1.275 1103 A CA -0.617 51.370 52.037 -0.084 0.000 0.804 1103 A CB 1.129 20.151 19.000 0.036 0.000 1.152 1103 A HN 0.611 nan 8.150 nan 0.000 0.487 1104 V N 3.058 122.593 119.914 -0.631 0.000 2.735 1104 V HA 0.858 4.977 4.120 -0.000 0.000 0.310 1104 V C -0.042 175.710 176.094 -0.570 0.000 1.061 1104 V CA 0.139 61.972 62.300 -0.778 0.000 0.913 1104 V CB 2.495 33.596 31.823 -1.203 0.000 1.005 1104 V HN 1.138 nan 8.190 nan 0.000 0.428 1105 T N 1.899 116.203 114.554 -0.418 0.000 2.855 1105 T HA 0.791 5.141 4.350 -0.000 0.000 0.281 1105 T C -0.277 174.263 174.700 -0.266 0.000 1.007 1105 T CA -0.094 61.807 62.100 -0.330 0.000 1.009 1105 T CB 1.454 70.200 68.868 -0.203 0.000 0.983 1105 T HN 1.167 nan 8.240 nan 0.000 0.455 1106 T N -0.755 113.644 114.554 -0.258 0.000 2.900 1106 T HA 0.649 4.999 4.350 -0.000 0.000 0.295 1106 T C 1.314 175.804 174.700 -0.350 0.000 1.044 1106 T CA -0.323 61.681 62.100 -0.160 0.000 0.995 1106 T CB 1.538 70.511 68.868 0.175 0.000 1.072 1106 T HN 0.726 nan 8.240 nan 0.000 0.473 1107 G N 1.272 109.657 108.800 -0.692 0.000 2.394 1107 G HA2 0.356 4.316 3.960 -0.000 0.000 0.214 1107 G HA3 0.356 4.316 3.960 -0.000 0.000 0.214 1107 G C 0.796 175.163 174.900 -0.888 0.000 1.176 1107 G CA 0.210 44.411 45.100 -1.498 0.000 0.786 1107 G HN 1.128 nan 8.290 nan 0.000 0.533 1108 G N -0.418 107.996 108.800 -0.643 0.000 2.537 1108 G HA2 0.498 4.457 3.960 -0.000 0.000 0.273 1108 G HA3 0.498 4.457 3.960 -0.000 0.000 0.273 1108 G C 0.438 175.276 174.900 -0.103 0.000 1.189 1108 G CA 0.166 45.024 45.100 -0.404 0.000 0.881 1108 G HN 0.444 nan 8.290 nan 0.000 0.535 1109 G N -1.098 107.674 108.800 -0.046 0.000 2.525 1109 G HA2 0.343 4.303 3.960 -0.000 0.000 0.287 1109 G HA3 0.343 4.303 3.960 -0.000 0.000 0.287 1109 G C 0.682 175.561 174.900 -0.034 0.000 1.350 1109 G CA -0.166 44.911 45.100 -0.038 0.000 1.039 1109 G HN 0.585 nan 8.290 nan 0.000 0.513 1110 E N -0.707 119.412 120.200 -0.136 0.000 2.118 1110 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 1110 E C 2.782 179.474 176.600 0.152 0.000 0.992 1110 E CA 1.690 58.077 56.400 -0.022 0.000 0.804 1110 E CB -0.015 29.649 29.700 -0.061 0.000 0.741 1110 E HN 0.473 nan 8.360 nan 0.000 0.458 1111 S N 0.011 115.759 115.700 0.080 0.000 2.419 1111 S HA -0.254 4.216 4.470 -0.000 0.000 0.233 1111 S C 1.892 176.531 174.600 0.066 0.000 1.016 1111 S CA 1.163 59.409 58.200 0.076 0.000 0.974 1111 S CB -0.422 62.808 63.200 0.051 0.000 0.786 1111 S HN 0.424 nan 8.310 nan 0.000 0.492 1112 H N -0.008 118.996 119.070 -0.111 0.000 2.489 1112 H HA 0.010 4.566 4.556 -0.000 0.000 0.293 1112 H C 0.304 175.388 175.328 -0.406 0.000 1.066 1112 H CA 1.179 57.035 56.048 -0.320 0.000 1.305 1112 H CB -0.108 29.308 29.762 -0.576 0.000 1.386 1112 H HN 0.597 nan 8.280 nan 0.000 0.551 1113 F N 0.793 120.814 119.950 0.118 0.000 2.660 1113 F HA 0.133 4.660 4.527 -0.001 0.000 0.302 1113 F C 0.607 176.441 175.800 0.057 0.000 1.103 1113 F CA -0.145 57.936 58.000 0.134 0.000 1.340 1113 F CB 0.496 39.656 39.000 0.266 0.000 1.048 1113 F HN -0.067 nan 8.300 nan 0.000 0.551 1114 E N 2.350 122.606 120.200 0.093 0.000 1.892 1114 E HA 0.281 4.630 4.350 -0.000 0.000 0.271 1114 E C -0.309 176.289 176.600 -0.003 0.000 1.146 1114 E CA 0.097 56.530 56.400 0.055 0.000 1.096 1114 E CB 0.606 30.332 29.700 0.043 0.000 1.155 1114 E HN 0.413 nan 8.360 nan 0.000 0.458 1115 I N -0.969 119.593 120.570 -0.012 0.000 2.908 1115 I HA 0.505 4.674 4.170 -0.000 0.000 0.300 1115 I C -0.309 175.765 176.117 -0.072 0.000 1.385 1115 I CA 0.057 61.317 61.300 -0.066 0.000 1.004 1115 I CB 1.734 39.653 38.000 -0.136 0.000 1.309 1115 I HN 0.484 nan 8.210 nan 0.000 0.449 1116 G N 3.647 112.397 108.800 -0.083 0.000 2.795 1116 G HA2 0.019 3.979 3.960 -0.000 0.000 0.664 1116 G HA3 0.019 3.979 3.960 -0.000 0.000 0.664 1116 G C 0.416 175.245 174.900 -0.119 0.000 1.381 1116 G CA -0.082 44.964 45.100 -0.089 0.000 0.853 1116 G HN 1.578 nan 8.290 nan 0.000 0.545 1117 A N -0.599 122.097 122.820 -0.207 0.000 2.066 1117 A HA 0.212 4.531 4.320 -0.000 0.000 0.218 1117 A C 1.093 178.324 177.584 -0.588 0.000 1.157 1117 A CA 1.903 53.692 52.037 -0.413 0.000 0.670 1117 A CB -0.232 18.431 19.000 -0.563 0.000 0.804 1117 A HN 0.937 nan 8.150 nan 0.000 0.453 1118 H N 0.039 119.105 119.070 -0.005 0.000 2.336 1118 H HA 0.258 4.814 4.556 -0.000 0.000 0.230 1118 H C -2.737 172.605 175.328 0.023 0.000 1.426 1118 H CA -1.911 54.141 56.048 0.007 0.000 1.359 1118 H CB -0.215 29.546 29.762 -0.001 0.000 1.555 1118 H HN 0.382 nan 8.280 nan 0.000 0.512 1119 P HA 0.316 nan 4.420 nan 0.000 0.272 1119 P C 0.552 177.937 177.300 0.141 0.000 1.230 1119 P CA 0.326 63.489 63.100 0.104 0.000 0.788 1119 P CB 1.476 33.216 31.700 0.068 0.000 0.949 1120 G N 0.599 109.519 108.800 0.201 0.000 2.742 1120 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 1120 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 1120 G C -0.215 174.803 174.900 0.196 0.000 1.220 1120 G CA -0.441 44.787 45.100 0.214 0.000 0.783 1120 G HN 0.376 nan 8.290 nan 0.000 0.646 1121 F N 1.677 121.631 119.950 0.006 0.000 2.161 1121 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 1121 F C 2.574 178.376 175.800 0.004 0.000 1.089 1121 F CA 2.747 60.617 58.000 -0.218 0.000 1.282 1121 F CB 0.161 38.934 39.000 -0.378 0.000 1.010 1121 F HN 0.630 nan 8.300 nan 0.000 0.485 1122 D N -0.301 120.152 120.400 0.088 0.000 2.218 1122 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 1122 D C 2.157 178.462 176.300 0.009 0.000 0.976 1122 D CA 1.334 55.390 54.000 0.093 0.000 0.853 1122 D CB -1.197 39.707 40.800 0.173 0.000 0.939 1122 D HN 0.306 nan 8.370 nan 0.000 0.481 1123 V N 1.017 120.926 119.914 -0.008 0.000 2.490 1123 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 1123 V C 2.660 178.714 176.094 -0.067 0.000 1.061 1123 V CA 1.059 63.348 62.300 -0.018 0.000 1.064 1123 V CB -0.536 31.307 31.823 0.033 0.000 0.670 1123 V HN 0.233 nan 8.190 nan 0.000 0.461 1124 L N 0.748 121.897 121.223 -0.124 0.000 2.465 1124 L HA -0.072 4.268 4.340 -0.000 0.000 0.224 1124 L C 2.459 179.247 176.870 -0.137 0.000 1.145 1124 L CA 1.286 56.067 54.840 -0.098 0.000 0.834 1124 L CB -0.530 41.452 42.059 -0.127 0.000 0.944 1124 L HN 0.541 nan 8.230 nan 0.000 0.451 1125 S N -1.293 114.347 115.700 -0.101 0.000 2.522 1125 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 1125 S C 1.803 176.206 174.600 -0.328 0.000 0.986 1125 S CA 0.507 58.595 58.200 -0.187 0.000 0.929 1125 S CB -0.021 63.379 63.200 0.334 0.000 0.769 1125 S HN 0.341 nan 8.310 nan 0.000 0.529 1126 Q N 3.103 122.761 119.800 -0.238 0.000 2.045 1126 Q HA -0.023 4.317 4.340 -0.000 0.000 0.206 1126 Q C -0.849 174.980 176.000 -0.284 0.000 0.991 1126 Q CA 2.330 57.977 55.803 -0.260 0.000 0.851 1126 Q CB -1.571 27.060 28.738 -0.178 0.000 0.911 1126 Q HN 0.455 nan 8.270 nan 0.000 0.418 1127 P HA -0.117 nan 4.420 nan 0.000 0.218 1127 P C 0.896 178.083 177.300 -0.188 0.000 1.149 1127 P CA 1.207 64.197 63.100 -0.182 0.000 0.817 1127 P CB -0.097 31.519 31.700 -0.140 0.000 0.785 1128 L N -0.873 120.188 121.223 -0.270 0.000 2.072 1128 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 1128 L C 2.842 179.460 176.870 -0.420 0.000 1.079 1128 L CA 1.324 56.067 54.840 -0.162 0.000 0.752 1128 L CB -1.063 40.889 42.059 -0.177 0.000 0.906 1128 L HN -0.010 nan 8.230 nan 0.000 0.436 1129 Q N 0.457 119.637 119.800 -1.034 0.000 2.084 1129 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 1129 Q C 2.297 177.987 176.000 -0.517 0.000 0.978 1129 Q CA 1.782 56.786 55.803 -1.330 0.000 0.844 1129 Q CB -0.033 27.791 28.738 -1.523 0.000 0.898 1129 Q HN 0.507 nan 8.270 nan 0.000 0.426 1130 A N 0.009 122.626 122.820 -0.339 0.000 1.902 1130 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 1130 A C 2.218 179.781 177.584 -0.036 0.000 1.181 1130 A CA 1.898 53.841 52.037 -0.156 0.000 0.623 1130 A CB -1.002 17.911 19.000 -0.144 0.000 0.818 1130 A HN 0.480 nan 8.150 nan 0.000 0.443 1131 T N 0.488 115.040 114.554 -0.003 0.000 2.652 1131 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 1131 T C 2.249 177.108 174.700 0.266 0.000 1.039 1131 T CA 1.907 64.106 62.100 0.165 0.000 1.153 1131 T CB -0.594 68.441 68.868 0.278 0.000 0.863 1131 T HN 0.630 nan 8.240 nan 0.000 0.428 1132 A N 1.163 124.107 122.820 0.208 0.000 1.873 1132 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 1132 A C 2.326 179.971 177.584 0.102 0.000 1.193 1132 A CA 1.625 53.775 52.037 0.189 0.000 0.629 1132 A CB -0.923 18.209 19.000 0.220 0.000 0.826 1132 A HN 0.541 nan 8.150 nan 0.000 0.447 1133 I N -2.469 118.129 120.570 0.048 0.000 2.226 1133 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 1133 I C 2.456 178.597 176.117 0.040 0.000 1.100 1133 I CA 1.730 63.038 61.300 0.014 0.000 1.374 1133 I CB -0.401 37.589 38.000 -0.017 0.000 1.057 1133 I HN 0.504 nan 8.210 nan 0.000 0.413 1134 Y N 0.511 120.794 120.300 -0.029 0.000 2.274 1134 Y HA -0.277 4.273 4.550 -0.001 0.000 0.290 1134 Y C 2.440 178.348 175.900 0.014 0.000 1.145 1134 Y CA 1.475 59.565 58.100 -0.018 0.000 1.203 1134 Y CB -0.021 38.418 38.460 -0.035 0.000 0.984 1134 Y HN 0.202 nan 8.280 nan 0.000 0.533 1135 C N -0.255 119.140 119.300 0.159 0.000 2.791 1135 C HA 0.409 4.869 4.460 -0.000 0.000 0.270 1135 C C 1.702 176.679 174.990 -0.023 0.000 1.257 1135 C CA 0.669 59.727 59.018 0.067 0.000 1.699 1135 C CB -0.789 26.921 27.740 -0.050 0.000 1.904 1135 C HN 0.843 nan 8.230 nan 0.000 0.603 1136 G N 0.972 109.699 108.800 -0.123 0.000 2.136 1136 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.242 1136 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.242 1136 G C -0.080 174.683 174.900 -0.229 0.000 0.989 1136 G CA -0.212 44.670 45.100 -0.363 0.000 0.682 1136 G HN 0.514 nan 8.290 nan 0.000 0.522 1137 L N 0.496 121.657 121.223 -0.103 0.000 2.375 1137 L HA 0.359 4.698 4.340 -0.000 0.000 0.271 1137 L C 0.764 177.603 176.870 -0.051 0.000 1.107 1137 L CA -0.836 53.961 54.840 -0.073 0.000 0.806 1137 L CB 0.942 43.000 42.059 -0.001 0.000 1.146 1137 L HN 0.164 nan 8.230 nan 0.000 0.447 1138 N N 3.247 121.871 118.700 -0.127 0.000 2.415 1138 N HA -0.012 4.728 4.740 -0.000 0.000 0.246 1138 N C -0.770 174.816 175.510 0.127 0.000 1.078 1138 N CA -0.341 52.674 53.050 -0.058 0.000 0.942 1138 N CB 0.661 38.969 38.487 -0.297 0.000 1.140 1138 N HN 0.525 nan 8.380 nan 0.000 0.501 1139 W N 6.917 128.215 121.300 -0.004 0.000 2.381 1139 W HA 0.124 4.784 4.660 -0.001 0.000 0.321 1139 W C -0.912 175.664 176.519 0.095 0.000 1.407 1139 W CA -0.134 57.227 57.345 0.028 0.000 1.274 1139 W CB 0.517 29.992 29.460 0.025 0.000 1.310 1139 W HN 0.370 nan 8.180 nan 0.000 0.551 1140 L N 8.217 129.230 121.223 -0.350 0.000 2.399 1140 L HA 0.327 4.667 4.340 -0.000 0.000 0.265 1140 L C -1.730 174.869 176.870 -0.450 0.000 1.089 1140 L CA -2.266 52.422 54.840 -0.255 0.000 0.802 1140 L CB 0.486 42.438 42.059 -0.179 0.000 1.180 1140 L HN 0.256 nan 8.230 nan 0.000 0.454 1141 P HA 0.080 nan 4.420 nan 0.000 0.263 1141 P C -2.421 174.826 177.300 -0.088 0.000 1.195 1141 P CA -0.668 62.413 63.100 -0.033 0.000 0.762 1141 P CB -0.141 31.601 31.700 0.070 0.000 0.799 1142 P HA -0.005 nan 4.420 nan 0.000 0.266 1142 P C -0.660 176.649 177.300 0.014 0.000 1.193 1142 P CA 0.241 63.360 63.100 0.032 0.000 0.770 1142 P CB 0.211 32.084 31.700 0.288 0.000 0.836 1143 F N 2.779 122.633 119.950 -0.160 0.000 2.405 1143 F HA 0.573 5.100 4.527 -0.001 0.000 0.355 1143 F C -0.488 175.089 175.800 -0.372 0.000 1.121 1143 F CA -0.479 57.383 58.000 -0.229 0.000 1.112 1143 F CB 0.424 39.326 39.000 -0.163 0.000 1.126 1143 F HN 0.297 nan 8.300 nan 0.000 0.481 1144 A N 8.400 130.508 122.820 -1.187 0.000 2.335 1144 A HA 0.566 4.886 4.320 -0.000 0.000 0.304 1144 A C -1.020 175.695 177.584 -1.449 0.000 1.118 1144 A CA -0.780 50.520 52.037 -1.229 0.000 0.757 1144 A CB 1.007 19.323 19.000 -1.141 0.000 1.188 1144 A HN 0.887 nan 8.150 nan 0.000 0.460 1145 M N 4.978 123.892 119.600 -1.144 0.000 2.055 1145 M HA 0.371 4.850 4.480 -0.000 0.000 0.347 1145 M C -1.082 174.842 176.300 -0.627 0.000 1.123 1145 M CA -0.331 54.516 55.300 -0.755 0.000 1.035 1145 M CB 0.224 32.596 32.600 -0.378 0.000 1.484 1145 M HN 0.829 nan 8.290 nan 0.000 0.428 1146 H N 2.896 121.757 119.070 -0.350 0.000 2.499 1146 H HA 0.371 4.927 4.556 -0.000 0.000 0.352 1146 H C 0.828 176.038 175.328 -0.196 0.000 1.237 1146 H CA -0.419 55.465 56.048 -0.274 0.000 1.343 1146 H CB 1.316 30.939 29.762 -0.232 0.000 1.578 1146 H HN 1.052 nan 8.280 nan 0.000 0.577 1147 C N 0.500 119.779 119.300 -0.036 0.000 4.534 1147 C HA -0.212 4.247 4.460 -0.000 0.000 0.275 1147 C C 2.354 177.285 174.990 -0.099 0.000 1.291 1147 C CA 0.976 59.954 59.018 -0.066 0.000 1.876 1147 C CB -2.961 24.770 27.740 -0.016 0.000 1.339 1147 C HN 1.046 nan 8.230 nan 0.000 0.746 1148 T N -2.829 111.612 114.554 -0.189 0.000 2.803 1148 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 1148 T C 1.246 175.914 174.700 -0.053 0.000 1.052 1148 T CA 2.016 64.027 62.100 -0.148 0.000 1.136 1148 T CB -0.444 68.314 68.868 -0.183 0.000 0.864 1148 T HN 0.627 nan 8.240 nan 0.000 0.467 1149 F N 2.052 121.954 119.950 -0.080 0.000 2.126 1149 F HA 0.104 4.631 4.527 -0.000 0.000 0.299 1149 F C 1.825 177.582 175.800 -0.072 0.000 1.096 1149 F CA 0.721 58.668 58.000 -0.087 0.000 1.255 1149 F CB -0.145 38.781 39.000 -0.123 0.000 0.997 1149 F HN 0.280 nan 8.300 nan 0.000 0.479 1150 I N -1.777 118.866 120.570 0.121 0.000 3.326 1150 I HA 0.287 4.457 4.170 -0.000 0.000 0.336 1150 I C -0.162 175.966 176.117 0.018 0.000 1.543 1150 I CA -0.889 60.443 61.300 0.054 0.000 1.013 1150 I CB -0.246 37.782 38.000 0.046 0.000 1.468 1150 I HN -0.025 nan 8.210 nan 0.000 0.515 1151 C N -1.482 117.821 119.300 0.005 0.000 2.397 1151 C HA 0.615 5.075 4.460 -0.000 0.000 0.343 1151 C C 0.578 175.560 174.990 -0.014 0.000 1.188 1151 C CA -0.345 58.668 59.018 -0.008 0.000 1.992 1151 C CB 2.072 29.800 27.740 -0.020 0.000 2.358 1151 C HN 0.499 nan 8.230 nan 0.000 0.518 1152 D N 0.222 120.614 120.400 -0.012 0.000 2.315 1152 D HA 0.142 4.782 4.640 -0.000 0.000 0.275 1152 D C 0.672 176.960 176.300 -0.020 0.000 1.218 1152 D CA 0.044 54.035 54.000 -0.016 0.000 1.040 1152 D CB 0.475 41.269 40.800 -0.009 0.000 1.123 1152 D HN 0.804 nan 8.370 nan 0.000 0.541 1153 D N -1.633 118.758 120.400 -0.016 0.000 2.423 1153 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 1153 D C 1.366 177.667 176.300 0.002 0.000 1.068 1153 D CA 0.210 54.204 54.000 -0.010 0.000 0.860 1153 D CB 0.288 41.081 40.800 -0.012 0.000 0.992 1153 D HN 0.306 nan 8.370 nan 0.000 0.504 1154 E N -0.087 120.114 120.200 0.001 0.000 2.028 1154 E HA -0.096 4.253 4.350 -0.000 0.000 0.190 1154 E C 1.673 178.281 176.600 0.012 0.000 0.984 1154 E CA 2.026 58.430 56.400 0.007 0.000 0.800 1154 E CB -0.527 29.175 29.700 0.004 0.000 0.758 1154 E HN 0.041 nan 8.360 nan 0.000 0.448 1155 T N 1.087 115.646 114.554 0.009 0.000 2.788 1155 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 1155 T C 1.864 176.575 174.700 0.018 0.000 1.044 1155 T CA 1.275 63.382 62.100 0.012 0.000 1.139 1155 T CB -0.325 68.545 68.868 0.003 0.000 0.867 1155 T HN 0.170 nan 8.240 nan 0.000 0.454 1156 L N 0.329 121.559 121.223 0.012 0.000 2.240 1156 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 1156 L C 2.587 179.476 176.870 0.032 0.000 1.106 1156 L CA 1.158 56.008 54.840 0.017 0.000 0.793 1156 L CB -0.072 41.993 42.059 0.009 0.000 0.927 1156 L HN 0.018 nan 8.230 nan 0.000 0.446 1157 E N -0.215 120.003 120.200 0.030 0.000 2.170 1157 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 1157 E C 1.973 178.602 176.600 0.049 0.000 0.981 1157 E CA 0.965 57.386 56.400 0.035 0.000 0.830 1157 E CB -0.023 29.692 29.700 0.025 0.000 0.775 1157 E HN 0.539 nan 8.360 nan 0.000 0.470 1158 G N 0.909 109.740 108.800 0.052 0.000 2.402 1158 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 1158 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 1158 G C 1.557 176.532 174.900 0.126 0.000 1.162 1158 G CA 0.313 45.454 45.100 0.070 0.000 0.777 1158 G HN 0.164 nan 8.290 nan 0.000 0.539 1159 Q N 0.521 120.399 119.800 0.130 0.000 2.084 1159 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 1159 Q C 2.964 179.125 176.000 0.268 0.000 0.978 1159 Q CA 1.445 57.379 55.803 0.219 0.000 0.844 1159 Q CB -0.663 28.149 28.738 0.124 0.000 0.898 1159 Q HN 0.438 nan 8.270 nan 0.000 0.426 1160 A N 1.019 123.925 122.820 0.144 0.000 1.933 1160 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 1160 A C 2.099 179.740 177.584 0.095 0.000 1.175 1160 A CA 1.208 53.303 52.037 0.096 0.000 0.628 1160 A CB -0.350 18.683 19.000 0.055 0.000 0.814 1160 A HN 0.284 nan 8.150 nan 0.000 0.444 1161 R N -1.522 119.038 120.500 0.099 0.000 2.075 1161 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 1161 R C 2.247 178.622 176.300 0.125 0.000 1.126 1161 R CA 1.425 57.573 56.100 0.080 0.000 0.963 1161 R CB -0.632 29.707 30.300 0.064 0.000 0.858 1161 R HN 0.715 nan 8.270 nan 0.000 0.435 1162 H N 0.616 119.729 119.070 0.072 0.000 2.387 1162 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 1162 H C 1.763 177.088 175.328 -0.006 0.000 1.090 1162 H CA 1.496 57.608 56.048 0.105 0.000 1.332 1162 H CB -0.488 29.416 29.762 0.236 0.000 1.386 1162 H HN 0.203 nan 8.280 nan 0.000 0.516 1163 Y N 1.748 121.791 120.300 -0.429 0.000 2.097 1163 Y HA -0.223 4.326 4.550 -0.001 0.000 0.282 1163 Y C 2.713 178.343 175.900 -0.449 0.000 1.152 1163 Y CA 2.448 59.957 58.100 -0.985 0.000 1.136 1163 Y CB -0.504 37.345 38.460 -1.019 0.000 0.975 1163 Y HN 0.203 nan 8.280 nan 0.000 0.498 1164 K N -0.275 119.960 120.400 -0.275 0.000 2.063 1164 K HA -0.334 3.986 4.320 -0.000 0.000 0.208 1164 K C 2.262 178.759 176.600 -0.172 0.000 1.048 1164 K CA 1.970 58.099 56.287 -0.263 0.000 0.928 1164 K CB -0.258 32.172 32.500 -0.116 0.000 0.713 1164 K HN 0.363 nan 8.250 nan 0.000 0.442 1165 Q N 0.727 120.498 119.800 -0.048 0.000 2.096 1165 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 1165 Q C 1.989 178.001 176.000 0.021 0.000 0.982 1165 Q CA 1.545 57.364 55.803 0.026 0.000 0.850 1165 Q CB -0.030 28.780 28.738 0.119 0.000 0.901 1165 Q HN 0.166 nan 8.270 nan 0.000 0.422 1166 R N -0.142 120.348 120.500 -0.016 0.000 2.083 1166 R HA -0.091 4.248 4.340 -0.000 0.000 0.237 1166 R C 2.321 178.582 176.300 -0.066 0.000 1.137 1166 R CA 1.450 57.531 56.100 -0.031 0.000 0.951 1166 R CB -0.912 29.313 30.300 -0.125 0.000 0.851 1166 R HN 0.394 nan 8.270 nan 0.000 0.434 1167 L N 0.272 121.364 121.223 -0.218 0.000 2.056 1167 L HA -0.160 4.179 4.340 -0.000 0.000 0.207 1167 L C 2.446 179.320 176.870 0.006 0.000 1.078 1167 L CA 0.569 55.307 54.840 -0.169 0.000 0.749 1167 L CB -0.558 41.277 42.059 -0.375 0.000 0.901 1167 L HN 0.105 nan 8.230 nan 0.000 0.433 1168 L N 0.324 121.525 121.223 -0.036 0.000 1.994 1168 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 1168 L C 2.396 179.285 176.870 0.032 0.000 1.071 1168 L CA 1.839 56.679 54.840 0.000 0.000 0.745 1168 L CB -0.555 41.489 42.059 -0.024 0.000 0.892 1168 L HN 0.192 nan 8.230 nan 0.000 0.431 1169 E N -1.515 118.708 120.200 0.039 0.000 2.118 1169 E HA -0.312 4.038 4.350 -0.000 0.000 0.195 1169 E C 1.840 178.479 176.600 0.065 0.000 0.992 1169 E CA 1.759 58.185 56.400 0.043 0.000 0.804 1169 E CB -0.466 29.269 29.700 0.059 0.000 0.741 1169 E HN 0.692 nan 8.360 nan 0.000 0.458 1170 W N 1.721 122.999 121.300 -0.036 0.000 2.358 1170 W HA -0.196 4.464 4.660 -0.000 0.000 0.303 1170 W C 2.042 178.588 176.519 0.045 0.000 1.208 1170 W CA 1.519 58.852 57.345 -0.021 0.000 1.274 1170 W CB 0.013 29.385 29.460 -0.146 0.000 1.138 1170 W HN 0.019 nan 8.180 nan 0.000 0.515 1171 Q N -0.060 119.795 119.800 0.092 0.000 2.124 1171 Q HA -0.228 4.111 4.340 -0.000 0.000 0.202 1171 Q C 2.024 177.913 176.000 -0.184 0.000 0.977 1171 Q CA 1.975 57.738 55.803 -0.066 0.000 0.850 1171 Q CB -0.300 28.486 28.738 0.081 0.000 0.901 1171 Q HN 0.449 nan 8.270 nan 0.000 0.429 1172 E N 0.329 120.456 120.200 -0.123 0.000 2.110 1172 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 1172 E C 1.665 178.138 176.600 -0.213 0.000 0.988 1172 E CA 0.993 57.314 56.400 -0.132 0.000 0.804 1172 E CB -0.069 29.581 29.700 -0.083 0.000 0.745 1172 E HN 0.313 nan 8.360 nan 0.000 0.458 1173 A N 0.469 123.118 122.820 -0.285 0.000 2.235 1173 A HA -0.003 4.317 4.320 -0.000 0.000 0.208 1173 A C 0.099 177.171 177.584 -0.852 0.000 1.172 1173 A CA 0.742 52.495 52.037 -0.473 0.000 0.786 1173 A CB -0.223 18.509 19.000 -0.446 0.000 0.804 1173 A HN 0.171 nan 8.150 nan 0.000 0.479 1174 H N 0.000 118.715 119.070 -0.591 0.000 2.539 1174 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1174 H CA 0.000 55.699 56.048 -0.581 0.000 1.023 1174 H CB 0.000 29.116 29.762 -1.076 0.000 1.292 1174 H HN 0.000 nan 8.280 nan 0.000 0.496