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 1asp_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 2 Q N 1.024 120.803 119.800 -0.035 0.000 2.594 2 Q HA 0.575 4.914 4.340 -0.001 0.000 0.278 2 Q C -2.113 173.852 176.000 -0.059 0.000 0.961 2 Q CA -0.616 55.162 55.803 -0.042 0.000 0.844 2 Q CB 1.472 30.191 28.738 -0.033 0.000 1.475 2 Q HN 0.743 nan 8.270 nan 0.000 0.389 3 I N 2.834 123.363 120.570 -0.069 0.000 2.354 3 I HA 0.499 4.669 4.170 -0.001 0.000 0.292 3 I C -0.488 175.564 176.117 -0.108 0.000 0.989 3 I CA -0.904 60.343 61.300 -0.088 0.000 1.188 3 I CB 1.237 39.192 38.000 -0.075 0.000 1.342 3 I HN 0.331 nan 8.210 nan 0.000 0.457 4 R N 4.449 124.861 120.500 -0.146 0.000 2.295 4 R HA 0.392 4.731 4.340 -0.001 0.000 0.324 4 R C -0.915 175.165 176.300 -0.368 0.000 0.968 4 R CA -0.868 55.088 56.100 -0.239 0.000 0.837 4 R CB 1.207 31.431 30.300 -0.127 0.000 1.133 4 R HN 0.577 nan 8.270 nan 0.000 0.450 5 H N 2.079 120.806 119.070 -0.572 0.000 2.481 5 H HA 0.412 4.967 4.556 -0.001 0.000 0.333 5 H C -1.198 173.668 175.328 -0.771 0.000 1.066 5 H CA -0.396 55.367 56.048 -0.476 0.000 1.209 5 H CB 0.702 30.319 29.762 -0.243 0.000 1.445 5 H HN 0.423 nan 8.280 nan 0.000 0.488 6 Y N 3.084 123.056 120.300 -0.548 0.000 2.376 6 Y HA 0.262 4.811 4.550 -0.001 0.000 0.340 6 Y C -0.317 175.284 175.900 -0.497 0.000 0.965 6 Y CA -1.073 56.727 58.100 -0.501 0.000 1.078 6 Y CB 1.685 39.580 38.460 -0.941 0.000 1.193 6 Y HN 0.494 nan 8.280 nan 0.000 0.452 7 K N 3.091 123.488 120.400 -0.006 0.000 2.281 7 K HA 0.406 4.726 4.320 -0.001 0.000 0.272 7 K C -2.014 174.798 176.600 0.353 0.000 1.048 7 K CA -0.271 56.082 56.287 0.111 0.000 0.898 7 K CB 0.507 33.112 32.500 0.174 0.000 1.128 7 K HN 0.513 nan 8.250 nan 0.000 0.460 8 W N 2.623 123.946 121.300 0.037 0.000 2.883 8 W HA 0.417 5.076 4.660 -0.001 0.000 0.335 8 W C -0.653 175.877 176.519 0.019 0.000 1.083 8 W CA -0.747 56.621 57.345 0.039 0.000 1.233 8 W CB 1.648 31.135 29.460 0.046 0.000 1.412 8 W HN 0.518 nan 8.180 nan 0.000 0.490 9 E N 1.435 121.731 120.200 0.159 0.000 2.238 9 E HA 0.594 4.943 4.350 -0.001 0.000 0.267 9 E C -1.224 175.364 176.600 -0.020 0.000 0.887 9 E CA -1.057 55.381 56.400 0.063 0.000 0.769 9 E CB 2.893 32.610 29.700 0.029 0.000 1.187 9 E HN -0.001 nan 8.360 nan 0.000 0.416 10 V N 2.125 122.017 119.914 -0.037 0.000 2.459 10 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 10 V C -0.279 175.726 176.094 -0.150 0.000 1.029 10 V CA -0.502 61.733 62.300 -0.110 0.000 0.874 10 V CB 1.502 33.263 31.823 -0.104 0.000 0.985 10 V HN 0.710 nan 8.190 nan 0.000 0.438 11 E N 2.358 122.451 120.200 -0.179 0.000 2.343 11 E HA 0.487 4.837 4.350 -0.001 0.000 0.278 11 E C -1.755 174.735 176.600 -0.184 0.000 0.910 11 E CA -0.721 55.572 56.400 -0.179 0.000 0.757 11 E CB 1.962 31.604 29.700 -0.097 0.000 1.218 11 E HN 0.562 nan 8.360 nan 0.000 0.435 12 Y N 2.993 123.234 120.300 -0.098 0.000 2.397 12 Y HA 0.261 4.810 4.550 -0.001 0.000 0.335 12 Y C 0.651 176.485 175.900 -0.110 0.000 1.213 12 Y CA 0.344 58.385 58.100 -0.100 0.000 1.391 12 Y CB 0.725 39.122 38.460 -0.104 0.000 1.293 12 Y HN 0.423 nan 8.280 nan 0.000 0.557 13 M N 0.728 120.370 119.600 0.070 0.000 2.622 13 M HA 0.562 5.041 4.480 -0.001 0.000 0.276 13 M C -1.937 174.363 176.300 -0.000 0.000 1.265 13 M CA -0.958 54.357 55.300 0.026 0.000 0.850 13 M CB 1.924 34.578 32.600 0.090 0.000 1.720 13 M HN 0.242 nan 8.290 nan 0.000 0.465 14 F N 1.681 121.725 119.950 0.157 0.000 2.412 14 F HA 0.605 5.131 4.527 -0.001 0.000 0.348 14 F C -0.320 175.628 175.800 0.247 0.000 1.102 14 F CA 0.506 58.592 58.000 0.143 0.000 1.196 14 F CB 0.891 39.940 39.000 0.082 0.000 1.144 14 F HN 0.474 nan 8.300 nan 0.000 0.541 15 W N 1.828 123.200 121.300 0.121 0.000 3.146 15 W HA 0.608 5.267 4.660 -0.001 0.000 0.319 15 W C -1.766 174.724 176.519 -0.049 0.000 1.258 15 W CA -1.277 56.064 57.345 -0.007 0.000 1.189 15 W CB 2.070 31.446 29.460 -0.139 0.000 1.412 15 W HN 0.436 nan 8.180 nan 0.000 0.567 16 A N 4.730 127.169 122.820 -0.634 0.000 2.978 16 A HA 0.465 4.784 4.320 -0.001 0.000 0.341 16 A C -2.103 175.261 177.584 -0.368 0.000 1.105 16 A CA -1.269 50.538 52.037 -0.384 0.000 0.819 16 A CB 0.833 19.636 19.000 -0.328 0.000 1.080 16 A HN 0.209 nan 8.150 nan 0.000 0.476 17 P HA -0.195 nan 4.420 nan 0.000 0.216 17 P C 0.716 177.951 177.300 -0.109 0.000 1.150 17 P CA 1.875 64.869 63.100 -0.177 0.000 0.843 17 P CB 0.007 31.290 31.700 -0.695 0.000 0.787 18 N N -2.889 115.752 118.700 -0.098 0.000 2.401 18 N HA 0.196 4.936 4.740 -0.001 0.000 0.264 18 N C -0.566 174.972 175.510 0.047 0.000 1.238 18 N CA -0.414 52.664 53.050 0.046 0.000 0.889 18 N CB -0.444 38.159 38.487 0.192 0.000 1.196 18 N HN -0.135 nan 8.380 nan 0.000 0.511 19 c N 0.346 118.918 118.600 -0.046 0.000 4.456 19 c HA -0.161 4.409 4.570 -0.001 0.000 0.288 19 c C -0.487 173.569 174.090 -0.056 0.000 1.374 19 c CA 0.115 56.404 56.329 -0.067 0.000 1.956 19 c CB -2.773 39.724 42.510 -0.022 0.000 1.255 19 c HN 0.698 nan 8.230 nan 0.000 0.788 20 N N 0.551 119.207 118.700 -0.073 0.000 2.410 20 N HA 0.290 5.029 4.740 -0.001 0.000 0.287 20 N C -0.614 174.843 175.510 -0.089 0.000 1.044 20 N CA -0.363 52.620 53.050 -0.110 0.000 0.881 20 N CB 1.570 39.905 38.487 -0.252 0.000 1.405 20 N HN 0.576 nan 8.380 nan 0.000 0.490 21 E N 1.929 122.086 120.200 -0.071 0.000 2.354 21 E HA 0.168 4.518 4.350 -0.001 0.000 0.269 21 E C -0.765 175.885 176.600 0.084 0.000 1.036 21 E CA -0.077 56.321 56.400 -0.004 0.000 0.876 21 E CB 0.758 30.442 29.700 -0.025 0.000 1.009 21 E HN 0.483 nan 8.360 nan 0.000 0.416 22 N N 2.062 120.883 118.700 0.202 0.000 3.378 22 N HA 0.281 5.020 4.740 -0.001 0.000 0.294 22 N C -1.438 174.224 175.510 0.254 0.000 1.544 22 N CA -0.542 52.651 53.050 0.239 0.000 0.872 22 N CB 0.903 39.583 38.487 0.321 0.000 1.670 22 N HN 0.515 nan 8.380 nan 0.000 0.551 23 I N -0.906 119.738 120.570 0.124 0.000 2.498 23 I HA 0.739 4.909 4.170 -0.001 0.000 0.301 23 I C -0.356 175.844 176.117 0.138 0.000 0.984 23 I CA -0.744 60.550 61.300 -0.009 0.000 1.204 23 I CB 1.711 39.554 38.000 -0.261 0.000 1.362 23 I HN 0.090 nan 8.210 nan 0.000 0.471 24 V N 5.859 125.831 119.914 0.098 0.000 3.040 24 V HA 0.447 4.566 4.120 -0.001 0.000 0.312 24 V C -0.556 175.578 176.094 0.067 0.000 1.115 24 V CA -0.925 61.375 62.300 -0.000 0.000 0.998 24 V CB 2.522 34.120 31.823 -0.374 0.000 1.042 24 V HN 0.843 nan 8.190 nan 0.000 0.433 25 M N 3.445 123.046 119.600 0.001 0.000 2.055 25 M HA 0.583 5.062 4.480 -0.001 0.000 0.347 25 M C 0.137 176.357 176.300 -0.134 0.000 1.123 25 M CA -0.240 54.985 55.300 -0.125 0.000 1.035 25 M CB 0.466 32.941 32.600 -0.208 0.000 1.484 25 M HN 0.805 nan 8.290 nan 0.000 0.428 26 G N 5.159 113.874 108.800 -0.142 0.000 2.410 26 G HA2 0.677 4.636 3.960 -0.001 0.000 0.330 26 G HA3 0.677 4.636 3.960 -0.001 0.000 0.330 26 G C -0.886 173.900 174.900 -0.190 0.000 1.142 26 G CA -0.678 44.330 45.100 -0.154 0.000 0.902 26 G HN 0.742 nan 8.290 nan 0.000 0.491 27 I N 1.381 121.801 120.570 -0.249 0.000 2.362 27 I HA 0.167 4.337 4.170 -0.001 0.000 0.289 27 I C -0.190 175.747 176.117 -0.301 0.000 0.994 27 I CA -0.737 60.362 61.300 -0.335 0.000 1.158 27 I CB 1.651 39.293 38.000 -0.598 0.000 1.315 27 I HN 0.450 nan 8.210 nan 0.000 0.451 28 N N 4.996 123.575 118.700 -0.202 0.000 2.727 28 N HA -0.196 4.543 4.740 -0.001 0.000 0.249 28 N C 0.839 176.301 175.510 -0.079 0.000 1.048 28 N CA 1.376 54.365 53.050 -0.102 0.000 0.714 28 N CB -0.979 37.459 38.487 -0.083 0.000 0.959 28 N HN 1.131 nan 8.380 nan 0.000 0.544 29 G N -1.071 107.678 108.800 -0.085 0.000 2.153 29 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.252 29 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.252 29 G C -0.179 174.651 174.900 -0.116 0.000 0.994 29 G CA 0.825 45.889 45.100 -0.060 0.000 0.698 29 G HN 0.891 nan 8.290 nan 0.000 0.521 30 Q N -1.451 118.236 119.800 -0.189 0.000 2.421 30 Q HA 0.806 5.146 4.340 -0.001 0.000 0.280 30 Q C -1.452 174.354 176.000 -0.324 0.000 1.085 30 Q CA -1.368 54.268 55.803 -0.278 0.000 0.807 30 Q CB 2.320 30.939 28.738 -0.200 0.000 1.405 30 Q HN 0.664 nan 8.270 nan 0.000 0.419 31 F N 1.531 121.078 119.950 -0.672 0.000 2.539 31 F HA 0.601 5.127 4.527 -0.001 0.000 0.318 31 F C -2.734 172.781 175.800 -0.476 0.000 1.135 31 F CA -1.956 55.654 58.000 -0.650 0.000 0.915 31 F CB 1.745 40.194 39.000 -0.918 0.000 1.176 31 F HN 0.481 nan 8.300 nan 0.000 0.440 32 P HA 0.320 nan 4.420 nan 0.000 0.275 32 P C -0.224 176.787 177.300 -0.483 0.000 1.270 32 P CA -0.326 62.182 63.100 -0.985 0.000 0.791 32 P CB 0.394 31.668 31.700 -0.711 0.000 1.089 33 G N 0.123 108.704 108.800 -0.366 0.000 2.664 33 G HA2 0.292 4.252 3.960 -0.001 0.000 0.242 33 G HA3 0.292 4.252 3.960 -0.001 0.000 0.242 33 G C -2.400 172.437 174.900 -0.105 0.000 1.225 33 G CA -0.704 44.265 45.100 -0.219 0.000 0.849 33 G HN 0.322 nan 8.290 nan 0.000 0.581 34 P HA 0.149 nan 4.420 nan 0.000 0.268 34 P C 0.128 177.571 177.300 0.238 0.000 1.208 34 P CA 0.073 63.209 63.100 0.060 0.000 0.777 34 P CB 0.478 32.228 31.700 0.083 0.000 0.875 35 T N 3.023 117.695 114.554 0.197 0.000 2.832 35 T HA 0.336 4.686 4.350 -0.001 0.000 0.296 35 T C 0.581 175.407 174.700 0.209 0.000 0.968 35 T CA -0.138 62.095 62.100 0.221 0.000 1.107 35 T CB -0.086 68.865 68.868 0.139 0.000 0.916 35 T HN 0.193 nan 8.240 nan 0.000 0.517 36 I N 3.342 124.028 120.570 0.192 0.000 2.396 36 I HA 0.454 4.623 4.170 -0.001 0.000 0.292 36 I C 0.600 176.792 176.117 0.125 0.000 0.999 36 I CA -0.459 60.843 61.300 0.004 0.000 1.310 36 I CB 1.030 38.942 38.000 -0.146 0.000 1.404 36 I HN 0.355 nan 8.210 nan 0.000 0.496 37 R N 4.780 125.374 120.500 0.156 0.000 2.538 37 R HA 0.805 5.144 4.340 -0.001 0.000 0.292 37 R C -1.615 174.769 176.300 0.140 0.000 1.008 37 R CA -0.332 55.855 56.100 0.145 0.000 0.896 37 R CB 2.009 32.389 30.300 0.133 0.000 1.187 37 R HN 0.799 nan 8.270 nan 0.000 0.440 38 A N 3.196 126.085 122.820 0.114 0.000 2.567 38 A HA 0.573 4.892 4.320 -0.001 0.000 0.289 38 A C -1.482 176.146 177.584 0.073 0.000 1.177 38 A CA -0.987 51.100 52.037 0.083 0.000 0.694 38 A CB 1.635 20.671 19.000 0.061 0.000 1.292 38 A HN 0.785 nan 8.150 nan 0.000 0.425 39 N N -0.323 118.407 118.700 0.050 0.000 2.443 39 N HA 0.598 5.337 4.740 -0.001 0.000 0.293 39 N C -0.162 175.373 175.510 0.042 0.000 1.159 39 N CA -0.119 52.960 53.050 0.047 0.000 0.904 39 N CB 1.694 40.199 38.487 0.031 0.000 1.214 39 N HN 0.952 nan 8.380 nan 0.000 0.513 40 A N 0.279 123.129 122.820 0.049 0.000 2.540 40 A HA 0.439 4.758 4.320 -0.001 0.000 0.239 40 A C 1.411 179.005 177.584 0.017 0.000 1.061 40 A CA 0.777 52.838 52.037 0.040 0.000 0.758 40 A CB -0.919 18.111 19.000 0.051 0.000 0.991 40 A HN 0.987 nan 8.150 nan 0.000 0.502 41 G N 2.020 110.822 108.800 0.003 0.000 2.213 41 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.236 41 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.236 41 G C -0.007 174.879 174.900 -0.022 0.000 0.991 41 G CA 0.324 45.419 45.100 -0.009 0.000 0.629 41 G HN 0.825 nan 8.290 nan 0.000 0.517 42 D N 0.875 121.260 120.400 -0.026 0.000 2.361 42 D HA 0.552 5.191 4.640 -0.001 0.000 0.239 42 D C 0.503 176.752 176.300 -0.086 0.000 1.200 42 D CA 0.546 54.517 54.000 -0.048 0.000 0.915 42 D CB 0.971 41.746 40.800 -0.040 0.000 1.170 42 D HN 0.178 nan 8.370 nan 0.000 0.444 43 S N -0.234 115.397 115.700 -0.115 0.000 2.475 43 S HA 0.511 4.980 4.470 -0.001 0.000 0.298 43 S C -0.408 174.030 174.600 -0.269 0.000 1.119 43 S CA -0.825 57.268 58.200 -0.179 0.000 1.085 43 S CB 1.583 64.708 63.200 -0.125 0.000 1.028 43 S HN 0.142 nan 8.310 nan 0.000 0.489 44 V N 3.459 123.066 119.914 -0.512 0.000 2.417 44 V HA 0.486 4.606 4.120 -0.001 0.000 0.291 44 V C -0.546 175.182 176.094 -0.609 0.000 1.024 44 V CA -0.546 61.383 62.300 -0.619 0.000 0.861 44 V CB 1.693 32.877 31.823 -1.065 0.000 0.985 44 V HN 0.677 nan 8.190 nan 0.000 0.436 45 V N 5.882 125.588 119.914 -0.347 0.000 2.407 45 V HA 0.493 4.613 4.120 -0.001 0.000 0.291 45 V C -0.422 175.507 176.094 -0.276 0.000 1.018 45 V CA -0.500 61.681 62.300 -0.198 0.000 0.842 45 V CB 1.996 33.810 31.823 -0.014 0.000 0.996 45 V HN 0.591 nan 8.190 nan 0.000 0.426 46 V N 5.496 125.300 119.914 -0.183 0.000 2.407 46 V HA 0.433 4.552 4.120 -0.001 0.000 0.291 46 V C -0.112 175.910 176.094 -0.120 0.000 1.018 46 V CA -0.674 61.474 62.300 -0.252 0.000 0.842 46 V CB 1.898 33.562 31.823 -0.266 0.000 0.996 46 V HN 1.018 nan 8.190 nan 0.000 0.426 47 E N 5.178 125.184 120.200 -0.323 0.000 2.113 47 E HA 0.603 4.952 4.350 -0.001 0.000 0.273 47 E C -1.068 175.442 176.600 -0.150 0.000 0.924 47 E CA -0.803 55.293 56.400 -0.507 0.000 0.764 47 E CB 2.147 31.317 29.700 -0.883 0.000 1.104 47 E HN 0.432 nan 8.360 nan 0.000 0.406 48 L N 3.327 124.547 121.223 -0.006 0.000 2.282 48 L HA 0.335 4.675 4.340 -0.001 0.000 0.288 48 L C -0.789 176.134 176.870 0.088 0.000 1.033 48 L CA 0.034 54.980 54.840 0.177 0.000 0.807 48 L CB 1.756 44.038 42.059 0.373 0.000 1.209 48 L HN 0.590 nan 8.230 nan 0.000 0.423 49 T N 4.010 118.616 114.554 0.086 0.000 2.758 49 T HA 0.240 4.589 4.350 -0.001 0.000 0.285 49 T C -0.064 174.663 174.700 0.045 0.000 0.981 49 T CA -0.321 61.809 62.100 0.050 0.000 0.965 49 T CB 0.350 69.241 68.868 0.038 0.000 0.927 49 T HN 0.616 nan 8.240 nan 0.000 0.448 50 N N 2.833 121.552 118.700 0.032 0.000 2.399 50 N HA 0.066 4.805 4.740 -0.001 0.000 0.259 50 N C 0.796 176.287 175.510 -0.032 0.000 1.160 50 N CA -0.346 52.704 53.050 0.000 0.000 0.946 50 N CB 0.207 38.699 38.487 0.007 0.000 1.156 50 N HN 0.233 nan 8.380 nan 0.000 0.489 51 K N 3.415 123.773 120.400 -0.070 0.000 2.493 51 K HA 0.194 4.513 4.320 -0.001 0.000 0.207 51 K C -0.113 176.349 176.600 -0.229 0.000 1.033 51 K CA -0.157 56.064 56.287 -0.110 0.000 1.161 51 K CB 0.094 32.542 32.500 -0.087 0.000 0.873 51 K HN 0.562 nan 8.250 nan 0.000 0.491 52 L N -0.293 120.812 121.223 -0.198 0.000 2.456 52 L HA 0.169 4.509 4.340 -0.001 0.000 0.257 52 L C 1.471 178.231 176.870 -0.184 0.000 1.162 52 L CA -0.324 54.382 54.840 -0.224 0.000 0.808 52 L CB 0.379 42.358 42.059 -0.135 0.000 1.136 52 L HN 0.188 nan 8.230 nan 0.000 0.466 53 H N -1.286 117.819 119.070 0.059 0.000 2.439 53 H HA -0.007 4.548 4.556 -0.001 0.000 0.299 53 H C 1.335 176.680 175.328 0.028 0.000 1.033 53 H CA 1.265 57.337 56.048 0.040 0.000 1.348 53 H CB 0.372 30.157 29.762 0.038 0.000 1.449 53 H HN 0.767 nan 8.280 nan 0.000 0.544 54 T N -2.351 112.290 114.554 0.145 0.000 3.004 54 T HA 0.230 4.579 4.350 -0.001 0.000 0.266 54 T C 0.461 175.195 174.700 0.056 0.000 0.986 54 T CA -0.271 61.877 62.100 0.079 0.000 0.902 54 T CB 0.668 69.567 68.868 0.052 0.000 1.118 54 T HN 0.095 nan 8.240 nan 0.000 0.522 55 E N 0.922 121.161 120.200 0.065 0.000 2.214 55 E HA 0.588 4.937 4.350 -0.001 0.000 0.274 55 E C -0.029 176.589 176.600 0.031 0.000 0.977 55 E CA -0.971 55.463 56.400 0.057 0.000 0.827 55 E CB 1.650 31.408 29.700 0.097 0.000 1.130 55 E HN 0.420 nan 8.360 nan 0.000 0.394 56 G N 0.785 109.601 108.800 0.027 0.000 2.476 56 G HA2 0.459 4.418 3.960 -0.001 0.000 0.286 56 G HA3 0.459 4.418 3.960 -0.001 0.000 0.286 56 G C -0.989 173.916 174.900 0.008 0.000 1.177 56 G CA -0.276 44.831 45.100 0.013 0.000 0.870 56 G HN 0.326 nan 8.290 nan 0.000 0.528 57 V N 0.315 120.229 119.914 -0.000 0.000 3.078 57 V HA 0.803 4.923 4.120 -0.001 0.000 0.311 57 V C -0.717 175.386 176.094 0.015 0.000 1.138 57 V CA -0.356 61.947 62.300 0.004 0.000 1.007 57 V CB 2.434 34.251 31.823 -0.010 0.000 1.045 57 V HN 1.257 nan 8.190 nan 0.000 0.432 58 V N 2.938 122.873 119.914 0.035 0.000 3.048 58 V HA 0.701 4.820 4.120 -0.001 0.000 0.303 58 V C -1.516 174.578 176.094 0.001 0.000 1.214 58 V CA -0.751 61.585 62.300 0.060 0.000 0.984 58 V CB 2.080 33.935 31.823 0.054 0.000 1.054 58 V HN 0.649 nan 8.190 nan 0.000 0.430 59 I N 3.068 123.543 120.570 -0.158 0.000 2.465 59 I HA 0.564 4.734 4.170 -0.001 0.000 0.291 59 I C -0.683 174.892 176.117 -0.904 0.000 1.014 59 I CA -0.237 60.752 61.300 -0.519 0.000 1.093 59 I CB 1.464 38.966 38.000 -0.830 0.000 1.267 59 I HN 1.052 nan 8.210 nan 0.000 0.431 60 H N 5.351 123.924 119.070 -0.828 0.000 2.457 60 H HA 0.458 5.013 4.556 -0.001 0.000 0.335 60 H C -1.594 173.167 175.328 -0.945 0.000 1.115 60 H CA -0.563 55.007 56.048 -0.796 0.000 1.219 60 H CB 1.008 30.558 29.762 -0.354 0.000 1.471 60 H HN 0.428 nan 8.280 nan 0.000 0.491 61 W N 5.174 125.836 121.300 -1.063 0.000 2.289 61 W HA 0.202 4.861 4.660 -0.001 0.000 0.342 61 W C -0.144 175.757 176.519 -1.031 0.000 0.958 61 W CA -0.932 55.920 57.345 -0.822 0.000 1.492 61 W CB -0.169 28.793 29.460 -0.830 0.000 1.336 61 W HN 0.681 nan 8.180 nan 0.000 0.371 62 H N 1.919 120.448 119.070 -0.900 0.000 3.026 62 H HA 0.346 4.902 4.556 -0.001 0.000 0.289 62 H C 1.405 176.470 175.328 -0.438 0.000 1.022 62 H CA 1.737 57.361 56.048 -0.705 0.000 1.477 62 H CB 0.448 29.613 29.762 -0.995 0.000 1.510 62 H HN 0.800 nan 8.280 nan 0.000 0.535 63 G N 4.663 113.259 108.800 -0.341 0.000 2.176 63 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.232 63 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.232 63 G C -0.121 174.487 174.900 -0.487 0.000 0.986 63 G CA 0.036 45.007 45.100 -0.216 0.000 0.643 63 G HN 0.531 nan 8.290 nan 0.000 0.522 64 I N 1.580 121.835 120.570 -0.525 0.000 2.396 64 I HA 0.354 4.523 4.170 -0.001 0.000 0.292 64 I C 1.869 177.732 176.117 -0.422 0.000 0.999 64 I CA -0.699 60.269 61.300 -0.553 0.000 1.310 64 I CB 1.174 38.820 38.000 -0.590 0.000 1.404 64 I HN 0.019 nan 8.210 nan 0.000 0.496 65 L N 4.775 125.759 121.223 -0.397 0.000 2.395 65 L HA -0.042 4.297 4.340 -0.001 0.000 0.218 65 L C 0.728 177.373 176.870 -0.375 0.000 1.130 65 L CA 0.247 54.836 54.840 -0.418 0.000 0.826 65 L CB -0.312 41.525 42.059 -0.369 0.000 0.941 65 L HN 0.584 nan 8.230 nan 0.000 0.451 66 Q N 0.271 119.927 119.800 -0.240 0.000 2.457 66 Q HA -0.225 4.114 4.340 -0.001 0.000 0.283 66 Q C 0.052 176.036 176.000 -0.027 0.000 1.234 66 Q CA 0.613 56.357 55.803 -0.099 0.000 0.877 66 Q CB -1.497 27.313 28.738 0.121 0.000 1.250 66 Q HN 0.323 nan 8.270 nan 0.000 0.481 67 R N 0.302 120.746 120.500 -0.093 0.000 2.446 67 R HA 0.259 4.598 4.340 -0.001 0.000 0.325 67 R C 1.533 177.825 176.300 -0.014 0.000 0.997 67 R CA 1.622 57.689 56.100 -0.055 0.000 1.010 67 R CB -0.357 29.895 30.300 -0.081 0.000 0.946 67 R HN 0.508 nan 8.270 nan 0.000 0.422 68 G N 2.050 110.868 108.800 0.030 0.000 2.253 68 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.251 68 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.251 68 G C 0.408 175.312 174.900 0.007 0.000 0.998 68 G CA 0.550 45.677 45.100 0.045 0.000 0.621 68 G HN 0.685 nan 8.290 nan 0.000 0.524 69 T N -1.399 113.065 114.554 -0.149 0.000 3.393 69 T HA 0.604 4.953 4.350 -0.001 0.000 0.255 69 T C -0.776 173.510 174.700 -0.689 0.000 1.008 69 T CA -0.219 61.506 62.100 -0.624 0.000 1.053 69 T CB 1.584 70.047 68.868 -0.676 0.000 1.120 69 T HN 0.231 nan 8.240 nan 0.000 0.538 70 P HA -0.163 nan 4.420 nan 0.000 0.217 70 P C 1.720 178.935 177.300 -0.141 0.000 1.148 70 P CA 1.222 64.214 63.100 -0.180 0.000 0.828 70 P CB -0.320 31.242 31.700 -0.231 0.000 0.783 71 W N -0.069 121.289 121.300 0.096 0.000 2.538 71 W HA 0.201 4.860 4.660 -0.001 0.000 0.254 71 W C 0.941 177.652 176.519 0.320 0.000 1.249 71 W CA 0.566 58.011 57.345 0.167 0.000 1.253 71 W CB -1.397 28.163 29.460 0.166 0.000 1.130 71 W HN -0.033 nan 8.180 nan 0.000 0.618 72 A N 0.686 123.573 122.820 0.112 0.000 2.500 72 A HA 0.084 4.403 4.320 -0.001 0.000 0.267 72 A C 1.316 179.170 177.584 0.449 0.000 1.290 72 A CA 0.466 52.797 52.037 0.491 0.000 0.928 72 A CB -0.561 18.560 19.000 0.201 0.000 1.066 72 A HN 0.097 nan 8.150 nan 0.000 0.516 73 D N 0.409 120.984 120.400 0.292 0.000 2.178 73 D HA 0.058 4.697 4.640 -0.001 0.000 0.202 73 D C 1.398 177.879 176.300 0.301 0.000 0.974 73 D CA 1.856 56.044 54.000 0.313 0.000 0.841 73 D CB -0.074 40.910 40.800 0.307 0.000 0.953 73 D HN 0.672 nan 8.370 nan 0.000 0.478 74 G N 0.164 109.115 108.800 0.253 0.000 2.203 74 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.231 74 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.231 74 G C 0.078 174.992 174.900 0.024 0.000 1.058 74 G CA 0.445 45.624 45.100 0.132 0.000 0.781 74 G HN 0.569 nan 8.290 nan 0.000 0.496 75 T N -1.741 112.803 114.554 -0.018 0.000 2.788 75 T HA 0.800 5.150 4.350 -0.001 0.000 0.296 75 T C 0.467 175.158 174.700 -0.015 0.000 1.009 75 T CA 0.314 62.340 62.100 -0.124 0.000 0.949 75 T CB 1.941 70.636 68.868 -0.287 0.000 0.946 75 T HN 1.764 nan 8.240 nan 0.000 0.453 76 A N 2.882 125.718 122.820 0.026 0.000 2.511 76 A HA 0.510 4.830 4.320 -0.001 0.000 0.242 76 A C 1.343 178.923 177.584 -0.007 0.000 1.069 76 A CA 0.104 52.149 52.037 0.013 0.000 0.763 76 A CB -0.748 18.267 19.000 0.024 0.000 1.001 76 A HN 1.643 nan 8.150 nan 0.000 0.498 77 S N 0.232 115.911 115.700 -0.034 0.000 3.127 77 S HA -0.201 4.268 4.470 -0.001 0.000 0.281 77 S C 0.875 175.422 174.600 -0.089 0.000 1.293 77 S CA 1.670 59.813 58.200 -0.094 0.000 1.156 77 S CB -1.877 61.254 63.200 -0.116 0.000 1.389 77 S HN 0.718 nan 8.310 nan 0.000 0.672 78 I N -0.014 120.559 120.570 0.005 0.000 3.674 78 I HA 0.041 4.210 4.170 -0.001 0.000 0.248 78 I C 2.060 178.193 176.117 0.027 0.000 1.134 78 I CA 0.814 62.169 61.300 0.092 0.000 1.519 78 I CB -0.281 37.750 38.000 0.051 0.000 1.598 78 I HN 0.327 nan 8.210 nan 0.000 0.442 79 S N 0.327 116.028 115.700 0.001 0.000 2.458 79 S HA 0.055 4.525 4.470 -0.001 0.000 0.223 79 S C 0.594 175.262 174.600 0.113 0.000 1.019 79 S CA -0.127 58.092 58.200 0.032 0.000 0.937 79 S CB -0.177 63.051 63.200 0.046 0.000 0.788 79 S HN 0.589 nan 8.310 nan 0.000 0.511 80 Q N -1.076 118.773 119.800 0.082 0.000 2.482 80 Q HA 0.579 4.918 4.340 -0.001 0.000 0.286 80 Q C -1.429 174.584 176.000 0.022 0.000 1.007 80 Q CA -1.107 54.747 55.803 0.085 0.000 0.801 80 Q CB 0.789 29.573 28.738 0.075 0.000 1.455 80 Q HN 0.146 nan 8.270 nan 0.000 0.398 81 c N 1.529 120.143 118.600 0.023 0.000 2.689 81 c HA 0.654 5.223 4.570 -0.001 0.000 0.409 81 c C 0.989 175.051 174.090 -0.046 0.000 1.293 81 c CA 0.175 56.502 56.329 -0.003 0.000 2.136 81 c CB 0.012 42.532 42.510 0.017 0.000 2.719 81 c HN 0.808 nan 8.230 nan 0.000 0.644 82 A N 2.834 125.631 122.820 -0.037 0.000 2.351 82 A HA 0.550 4.869 4.320 -0.001 0.000 0.257 82 A C -0.084 177.466 177.584 -0.057 0.000 1.087 82 A CA -0.307 51.700 52.037 -0.051 0.000 0.798 82 A CB 0.082 19.072 19.000 -0.016 0.000 1.033 82 A HN 0.787 nan 8.150 nan 0.000 0.488 83 I N 2.452 122.977 120.570 -0.076 0.000 2.452 83 I HA 0.039 4.209 4.170 -0.001 0.000 0.287 83 I C -0.098 176.020 176.117 0.002 0.000 1.079 83 I CA -0.388 60.889 61.300 -0.038 0.000 1.387 83 I CB 0.257 38.231 38.000 -0.042 0.000 1.404 83 I HN 0.545 nan 8.210 nan 0.000 0.522 84 N N 8.175 126.887 118.700 0.020 0.000 2.508 84 N HA 0.202 4.941 4.740 -0.001 0.000 0.264 84 N C -2.421 173.102 175.510 0.023 0.000 1.216 84 N CA -1.643 51.421 53.050 0.022 0.000 0.943 84 N CB -0.034 38.469 38.487 0.028 0.000 1.113 84 N HN 0.255 nan 8.380 nan 0.000 0.447 85 P HA -0.030 nan 4.420 nan 0.000 0.261 85 P C 0.847 178.160 177.300 0.023 0.000 1.165 85 P CA 1.120 64.230 63.100 0.016 0.000 0.759 85 P CB 0.218 31.935 31.700 0.029 0.000 0.772 86 G N 1.797 110.607 108.800 0.017 0.000 2.205 86 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.261 86 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.261 86 G C 0.049 174.967 174.900 0.030 0.000 0.980 86 G CA -0.112 45.003 45.100 0.025 0.000 0.632 86 G HN 0.562 nan 8.290 nan 0.000 0.533 87 E N 0.446 120.668 120.200 0.036 0.000 2.248 87 E HA 0.575 4.925 4.350 -0.001 0.000 0.272 87 E C -0.362 176.270 176.600 0.053 0.000 1.008 87 E CA -0.272 56.157 56.400 0.048 0.000 0.856 87 E CB 1.183 30.921 29.700 0.063 0.000 1.120 87 E HN 0.133 nan 8.360 nan 0.000 0.397 88 T N 1.695 116.277 114.554 0.046 0.000 2.855 88 T HA 0.491 4.841 4.350 -0.001 0.000 0.281 88 T C -1.176 173.549 174.700 0.042 0.000 1.007 88 T CA -0.488 61.614 62.100 0.004 0.000 1.009 88 T CB 0.522 69.343 68.868 -0.079 0.000 0.983 88 T HN 0.281 nan 8.240 nan 0.000 0.455 89 F N 2.057 121.895 119.950 -0.187 0.000 2.578 89 F HA 0.684 5.211 4.527 -0.001 0.000 0.311 89 F C -1.943 173.668 175.800 -0.315 0.000 1.094 89 F CA -1.643 56.245 58.000 -0.186 0.000 0.923 89 F CB 1.289 40.172 39.000 -0.193 0.000 1.230 89 F HN 0.483 nan 8.300 nan 0.000 0.450 90 F N 4.858 124.566 119.950 -0.402 0.000 2.427 90 F HA 0.420 4.946 4.527 -0.001 0.000 0.346 90 F C -1.114 174.645 175.800 -0.068 0.000 1.120 90 F CA -0.565 57.333 58.000 -0.170 0.000 1.033 90 F CB 1.006 39.903 39.000 -0.172 0.000 1.126 90 F HN 0.266 nan 8.300 nan 0.000 0.462 91 Y N 2.937 123.501 120.300 0.441 0.000 2.369 91 Y HA 0.390 4.940 4.550 -0.001 0.000 0.337 91 Y C -0.320 175.711 175.900 0.219 0.000 0.961 91 Y CA -0.913 57.486 58.100 0.499 0.000 1.186 91 Y CB 0.758 39.547 38.460 0.550 0.000 1.139 91 Y HN 0.418 nan 8.280 nan 0.000 0.494 92 N N 5.273 124.214 118.700 0.401 0.000 2.399 92 N HA 0.515 5.255 4.740 -0.001 0.000 0.284 92 N C -1.329 174.224 175.510 0.073 0.000 1.025 92 N CA -0.586 52.531 53.050 0.111 0.000 0.885 92 N CB 1.676 40.287 38.487 0.207 0.000 1.339 92 N HN 0.501 nan 8.380 nan 0.000 0.487 93 F N -1.969 117.888 119.950 -0.154 0.000 2.693 93 F HA 0.597 5.123 4.527 -0.001 0.000 0.309 93 F C -0.531 175.160 175.800 -0.181 0.000 1.129 93 F CA -0.984 56.888 58.000 -0.213 0.000 0.948 93 F CB 0.858 39.672 39.000 -0.309 0.000 1.315 93 F HN -0.014 nan 8.300 nan 0.000 0.447 94 T N 2.181 116.775 114.554 0.066 0.000 2.845 94 T HA 0.543 4.892 4.350 -0.001 0.000 0.288 94 T C -0.310 174.426 174.700 0.060 0.000 0.980 94 T CA -0.632 61.466 62.100 -0.003 0.000 1.071 94 T CB 1.345 70.204 68.868 -0.015 0.000 0.941 94 T HN 0.807 nan 8.240 nan 0.000 0.487 95 V N 1.152 121.071 119.914 0.009 0.000 2.348 95 V HA 0.365 4.484 4.120 -0.001 0.000 0.270 95 V C 0.343 176.418 176.094 -0.031 0.000 1.037 95 V CA -0.560 61.737 62.300 -0.004 0.000 0.872 95 V CB 0.838 32.670 31.823 0.015 0.000 1.002 95 V HN 0.716 nan 8.190 nan 0.000 0.464 96 D N 3.334 123.693 120.400 -0.067 0.000 2.137 96 D HA -0.030 4.610 4.640 -0.001 0.000 0.202 96 D C 0.682 176.977 176.300 -0.009 0.000 0.970 96 D CA 1.489 55.462 54.000 -0.044 0.000 0.837 96 D CB 0.295 41.052 40.800 -0.071 0.000 0.981 96 D HN 0.837 nan 8.370 nan 0.000 0.475 97 N N 0.669 119.373 118.700 0.006 0.000 2.229 97 N HA 0.251 4.990 4.740 -0.001 0.000 0.298 97 N C -3.079 172.534 175.510 0.172 0.000 1.114 97 N CA -1.497 51.597 53.050 0.073 0.000 0.776 97 N CB 2.547 41.069 38.487 0.059 0.000 1.501 97 N HN -0.209 nan 8.380 nan 0.000 0.474 98 P HA 0.299 nan 4.420 nan 0.000 0.269 98 P C 0.260 177.604 177.300 0.074 0.000 1.217 98 P CA 0.589 63.776 63.100 0.144 0.000 0.783 98 P CB 0.604 32.366 31.700 0.103 0.000 0.898 99 G N -0.021 108.736 108.800 -0.072 0.000 2.341 99 G HA2 0.248 4.207 3.960 -0.001 0.000 0.293 99 G HA3 0.248 4.207 3.960 -0.001 0.000 0.293 99 G C -1.620 172.894 174.900 -0.643 0.000 1.298 99 G CA -0.621 44.170 45.100 -0.515 0.000 0.868 99 G HN 0.455 nan 8.290 nan 0.000 0.540 100 T N 1.383 115.444 114.554 -0.821 0.000 2.770 100 T HA 0.696 5.046 4.350 -0.001 0.000 0.297 100 T C -0.854 173.444 174.700 -0.671 0.000 0.997 100 T CA 0.101 61.897 62.100 -0.506 0.000 0.949 100 T CB 0.208 68.897 68.868 -0.298 0.000 0.941 100 T HN 0.388 nan 8.240 nan 0.000 0.457 101 F N 2.210 122.212 119.950 0.087 0.000 2.782 101 F HA 0.871 5.398 4.527 -0.001 0.000 0.366 101 F C -0.318 175.631 175.800 0.248 0.000 1.171 101 F CA -1.557 56.507 58.000 0.107 0.000 1.064 101 F CB 1.248 40.259 39.000 0.019 0.000 1.449 101 F HN 0.577 nan 8.300 nan 0.000 0.520 102 F N -1.135 118.953 119.950 0.231 0.000 2.817 102 F HA 0.686 5.213 4.527 -0.001 0.000 0.317 102 F C -1.950 173.931 175.800 0.135 0.000 1.168 102 F CA -2.012 56.040 58.000 0.087 0.000 0.911 102 F CB 1.094 40.040 39.000 -0.091 0.000 1.337 102 F HN 0.457 nan 8.300 nan 0.000 0.464 103 Y N -0.369 120.090 120.300 0.265 0.000 2.576 103 Y HA 0.912 5.461 4.550 -0.001 0.000 0.346 103 Y C -1.044 174.924 175.900 0.114 0.000 1.018 103 Y CA -1.228 56.844 58.100 -0.047 0.000 1.050 103 Y CB 1.546 39.969 38.460 -0.061 0.000 1.280 103 Y HN 1.022 nan 8.280 nan 0.000 0.474 104 H N -0.991 118.173 119.070 0.156 0.000 3.014 104 H HA 0.650 5.206 4.556 -0.001 0.000 0.337 104 H C -0.468 174.942 175.328 0.135 0.000 1.320 104 H CA -1.287 54.879 56.048 0.197 0.000 1.128 104 H CB 0.913 30.842 29.762 0.279 0.000 1.862 104 H HN 1.094 nan 8.280 nan 0.000 0.536 105 G N 0.010 109.001 108.800 0.318 0.000 2.380 105 G HA2 0.186 4.146 3.960 -0.001 0.000 0.242 105 G HA3 0.186 4.146 3.960 -0.001 0.000 0.242 105 G C -0.228 174.833 174.900 0.268 0.000 1.298 105 G CA -0.148 45.071 45.100 0.198 0.000 0.878 105 G HN 0.856 nan 8.290 nan 0.000 0.542 106 H N 2.063 121.201 119.070 0.115 0.000 2.567 106 H HA 0.258 4.813 4.556 -0.001 0.000 0.267 106 H C -0.761 174.578 175.328 0.019 0.000 1.148 106 H CA -0.300 55.804 56.048 0.093 0.000 1.031 106 H CB 0.670 30.494 29.762 0.104 0.000 1.691 106 H HN 0.327 nan 8.280 nan 0.000 0.588 107 L N -0.120 121.145 121.223 0.070 0.000 2.408 107 L HA 0.546 4.885 4.340 -0.001 0.000 0.268 107 L C 0.773 177.648 176.870 0.009 0.000 0.986 107 L CA 0.670 55.537 54.840 0.046 0.000 0.820 107 L CB 1.538 43.625 42.059 0.046 0.000 1.303 107 L HN 0.383 nan 8.230 nan 0.000 0.411 108 G N 4.546 113.350 108.800 0.005 0.000 2.614 108 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.303 108 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.303 108 G C 0.391 175.269 174.900 -0.038 0.000 1.270 108 G CA 0.583 45.691 45.100 0.014 0.000 0.988 108 G HN 0.710 nan 8.290 nan 0.000 0.551 109 M N 0.919 120.477 119.600 -0.071 0.000 2.869 109 M HA 0.196 4.676 4.480 -0.001 0.000 0.338 109 M C 1.858 178.093 176.300 -0.108 0.000 1.227 109 M CA 0.018 55.234 55.300 -0.140 0.000 0.946 109 M CB 0.747 33.202 32.600 -0.243 0.000 1.299 109 M HN 0.608 nan 8.290 nan 0.000 0.518 110 Q N 0.815 120.589 119.800 -0.043 0.000 2.291 110 Q HA -0.157 4.183 4.340 -0.001 0.000 0.206 110 Q C 2.076 178.102 176.000 0.045 0.000 0.976 110 Q CA 1.228 57.034 55.803 0.004 0.000 0.875 110 Q CB -0.054 28.696 28.738 0.020 0.000 0.927 110 Q HN 0.634 nan 8.270 nan 0.000 0.450 111 R N -0.264 120.274 120.500 0.063 0.000 2.115 111 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 111 R C 1.932 178.386 176.300 0.256 0.000 1.100 111 R CA 1.509 57.720 56.100 0.185 0.000 0.980 111 R CB -0.323 30.073 30.300 0.161 0.000 0.875 111 R HN -0.060 nan 8.270 nan 0.000 0.445 112 S N 1.333 117.104 115.700 0.119 0.000 2.442 112 S HA -0.017 4.452 4.470 -0.001 0.000 0.236 112 S C 1.929 176.665 174.600 0.227 0.000 1.007 112 S CA 0.991 59.286 58.200 0.158 0.000 0.965 112 S CB 0.026 63.183 63.200 -0.072 0.000 0.773 112 S HN 0.573 nan 8.310 nan 0.000 0.504 113 A N 0.463 123.372 122.820 0.149 0.000 2.235 113 A HA 0.492 4.811 4.320 -0.001 0.000 0.208 113 A C 1.662 179.377 177.584 0.218 0.000 1.172 113 A CA 0.813 52.959 52.037 0.182 0.000 0.786 113 A CB -0.588 18.502 19.000 0.150 0.000 0.804 113 A HN 0.820 nan 8.150 nan 0.000 0.479 114 G N -2.031 106.896 108.800 0.211 0.000 2.192 114 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.193 114 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.193 114 G C -0.001 174.650 174.900 -0.416 0.000 0.999 114 G CA -0.003 45.093 45.100 -0.006 0.000 0.659 114 G HN 0.758 nan 8.290 nan 0.000 0.503 115 L N 2.654 123.772 121.223 -0.176 0.000 2.385 115 L HA 0.677 5.017 4.340 -0.001 0.000 0.285 115 L C -0.141 176.709 176.870 -0.034 0.000 1.125 115 L CA -1.094 53.666 54.840 -0.135 0.000 0.890 115 L CB -1.195 40.855 42.059 -0.014 0.000 1.251 115 L HN 0.483 nan 8.230 nan 0.000 0.445 116 Y N 1.728 122.010 120.300 -0.030 0.000 2.732 116 Y HA 0.846 5.395 4.550 -0.001 0.000 0.342 116 Y C -0.196 175.370 175.900 -0.556 0.000 1.203 116 Y CA -1.018 56.943 58.100 -0.231 0.000 1.092 116 Y CB 0.486 38.883 38.460 -0.105 0.000 1.345 116 Y HN 0.513 nan 8.280 nan 0.000 0.458 117 G N -0.118 108.219 108.800 -0.773 0.000 2.430 117 G HA2 0.520 4.479 3.960 -0.001 0.000 0.300 117 G HA3 0.520 4.479 3.960 -0.001 0.000 0.300 117 G C -1.872 172.752 174.900 -0.459 0.000 1.330 117 G CA -0.962 43.773 45.100 -0.609 0.000 0.813 117 G HN 0.699 nan 8.290 nan 0.000 0.487 118 S N -0.639 115.017 115.700 -0.074 0.000 2.554 118 S HA 0.664 5.134 4.470 -0.001 0.000 0.278 118 S C -0.452 174.329 174.600 0.302 0.000 1.242 118 S CA -0.419 57.843 58.200 0.104 0.000 1.051 118 S CB 1.365 64.595 63.200 0.049 0.000 0.986 118 S HN 0.608 nan 8.310 nan 0.000 0.502 119 L N 4.181 125.607 121.223 0.338 0.000 2.372 119 L HA 0.595 4.934 4.340 -0.001 0.000 0.273 119 L C -1.609 175.446 176.870 0.308 0.000 0.989 119 L CA -0.434 54.626 54.840 0.366 0.000 0.841 119 L CB 0.531 42.865 42.059 0.458 0.000 1.225 119 L HN 0.627 nan 8.230 nan 0.000 0.414 120 I N 5.308 126.012 120.570 0.224 0.000 2.406 120 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 120 I C -0.666 175.563 176.117 0.187 0.000 0.999 120 I CA -0.845 60.557 61.300 0.170 0.000 1.124 120 I CB 2.090 40.147 38.000 0.095 0.000 1.289 120 I HN 0.197 nan 8.210 nan 0.000 0.441 121 V N 5.251 125.299 119.914 0.223 0.000 2.357 121 V HA 0.292 4.411 4.120 -0.001 0.000 0.284 121 V C -0.122 176.055 176.094 0.138 0.000 1.018 121 V CA -0.745 61.676 62.300 0.203 0.000 0.841 121 V CB 1.379 33.381 31.823 0.299 0.000 0.991 121 V HN 0.592 nan 8.190 nan 0.000 0.437 122 D N 6.164 126.628 120.400 0.106 0.000 2.354 122 D HA 0.304 4.944 4.640 -0.001 0.000 0.247 122 D C -2.202 174.145 176.300 0.078 0.000 1.138 122 D CA -1.152 52.901 54.000 0.087 0.000 0.958 122 D CB 1.158 42.003 40.800 0.074 0.000 1.144 122 D HN 0.281 nan 8.370 nan 0.000 0.458 123 P HA 0.010 nan 4.420 nan 0.000 0.269 123 P C -2.534 174.789 177.300 0.038 0.000 1.205 123 P CA -0.663 62.469 63.100 0.054 0.000 0.780 123 P CB -0.722 30.996 31.700 0.030 0.000 0.858 124 P HA -0.021 nan 4.420 nan 0.000 0.266 124 P C -0.382 176.925 177.300 0.012 0.000 1.186 124 P CA 0.547 63.660 63.100 0.020 0.000 0.767 124 P CB 0.017 31.727 31.700 0.017 0.000 0.820 125 Q N 1.698 121.503 119.800 0.008 0.000 2.239 125 Q HA 0.335 4.674 4.340 -0.001 0.000 0.286 125 Q C 1.522 177.521 176.000 -0.001 0.000 1.102 125 Q CA 1.584 57.390 55.803 0.004 0.000 0.936 125 Q CB -0.746 27.993 28.738 0.002 0.000 1.127 125 Q HN 0.783 nan 8.270 nan 0.000 0.380 126 G N 1.927 110.725 108.800 -0.005 0.000 2.279 126 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.223 126 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.223 126 G C 0.176 175.066 174.900 -0.016 0.000 1.015 126 G CA -0.270 44.824 45.100 -0.010 0.000 0.621 126 G HN 0.443 nan 8.290 nan 0.000 0.506 127 K N 0.797 121.188 120.400 -0.014 0.000 2.126 127 K HA 0.549 4.869 4.320 -0.001 0.000 0.257 127 K C 0.137 176.714 176.600 -0.038 0.000 1.007 127 K CA -0.186 56.087 56.287 -0.023 0.000 0.928 127 K CB 0.690 33.181 32.500 -0.014 0.000 1.013 127 K HN 0.104 nan 8.250 nan 0.000 0.473 128 K N 1.600 121.963 120.400 -0.061 0.000 2.281 128 K HA 0.227 4.546 4.320 -0.001 0.000 0.242 128 K C -0.396 176.119 176.600 -0.141 0.000 0.971 128 K CA -0.848 55.383 56.287 -0.094 0.000 0.834 128 K CB 1.428 33.869 32.500 -0.097 0.000 1.181 128 K HN 0.478 nan 8.250 nan 0.000 0.435 129 E N 2.542 122.616 120.200 -0.210 0.000 2.392 129 E HA 0.038 4.387 4.350 -0.001 0.000 0.264 129 E C -1.662 174.642 176.600 -0.493 0.000 1.024 129 E CA -1.443 54.730 56.400 -0.379 0.000 0.903 129 E CB 0.472 29.869 29.700 -0.506 0.000 0.963 129 E HN 0.290 nan 8.360 nan 0.000 0.432 130 P HA -0.056 nan 4.420 nan 0.000 0.250 130 P C -0.593 176.574 177.300 -0.221 0.000 1.239 130 P CA 0.774 63.620 63.100 -0.424 0.000 0.756 130 P CB -0.346 31.074 31.700 -0.466 0.000 1.013 131 F N -2.988 116.970 119.950 0.012 0.000 2.711 131 F HA 0.628 5.155 4.527 -0.001 0.000 0.313 131 F C -0.658 175.192 175.800 0.083 0.000 1.141 131 F CA -1.867 56.175 58.000 0.070 0.000 0.941 131 F CB 0.629 39.697 39.000 0.113 0.000 1.349 131 F HN -0.308 nan 8.300 nan 0.000 0.464 132 H N 0.390 119.593 119.070 0.223 0.000 2.495 132 H HA 0.699 5.254 4.556 -0.001 0.000 0.348 132 H C -1.606 173.815 175.328 0.156 0.000 1.113 132 H CA -1.023 55.041 56.048 0.028 0.000 1.195 132 H CB 1.332 31.084 29.762 -0.016 0.000 1.521 132 H HN 0.653 nan 8.280 nan 0.000 0.509 133 Y N 0.860 120.834 120.300 -0.544 0.000 2.597 133 Y HA 0.347 4.896 4.550 -0.001 0.000 0.340 133 Y C -0.406 175.094 175.900 -0.666 0.000 1.097 133 Y CA -1.073 56.755 58.100 -0.453 0.000 1.037 133 Y CB 0.987 39.357 38.460 -0.150 0.000 1.305 133 Y HN 0.434 nan 8.280 nan 0.000 0.463 134 D N 0.555 120.732 120.400 -0.371 0.000 2.392 134 D HA 0.311 4.950 4.640 -0.001 0.000 0.206 134 D C 0.472 176.635 176.300 -0.228 0.000 1.046 134 D CA 0.937 54.731 54.000 -0.343 0.000 0.865 134 D CB 1.290 41.886 40.800 -0.339 0.000 0.969 134 D HN 0.845 nan 8.370 nan 0.000 0.509 135 G N 0.551 109.256 108.800 -0.159 0.000 2.649 135 G HA2 0.516 4.476 3.960 -0.001 0.000 0.290 135 G HA3 0.516 4.476 3.960 -0.001 0.000 0.290 135 G C -1.649 173.421 174.900 0.284 0.000 1.426 135 G CA -0.770 44.404 45.100 0.123 0.000 0.794 135 G HN 0.049 nan 8.290 nan 0.000 0.483 136 E N -1.352 118.987 120.200 0.230 0.000 2.408 136 E HA 0.773 5.123 4.350 -0.001 0.000 0.275 136 E C -1.566 175.034 176.600 -0.000 0.000 0.935 136 E CA -0.982 55.444 56.400 0.043 0.000 0.775 136 E CB 2.676 32.363 29.700 -0.021 0.000 1.277 136 E HN 0.402 nan 8.360 nan 0.000 0.455 137 I N 1.169 121.652 120.570 -0.146 0.000 2.686 137 I HA 0.344 4.513 4.170 -0.001 0.000 0.295 137 I C -0.969 174.980 176.117 -0.280 0.000 1.114 137 I CA -0.777 60.366 61.300 -0.261 0.000 1.038 137 I CB 2.306 39.963 38.000 -0.572 0.000 1.238 137 I HN 0.569 nan 8.210 nan 0.000 0.420 138 N N 5.556 124.106 118.700 -0.249 0.000 2.372 138 N HA 0.554 5.294 4.740 -0.001 0.000 0.285 138 N C -1.950 173.370 175.510 -0.317 0.000 1.008 138 N CA -0.512 52.397 53.050 -0.235 0.000 0.880 138 N CB 2.010 40.415 38.487 -0.137 0.000 1.239 138 N HN 0.352 nan 8.380 nan 0.000 0.484 139 L N 4.237 125.285 121.223 -0.293 0.000 2.381 139 L HA 0.572 4.911 4.340 -0.001 0.000 0.274 139 L C -1.761 174.950 176.870 -0.266 0.000 0.988 139 L CA -0.714 53.971 54.840 -0.259 0.000 0.824 139 L CB 1.556 43.504 42.059 -0.184 0.000 1.263 139 L HN 0.475 nan 8.230 nan 0.000 0.410 140 L N 5.564 126.627 121.223 -0.265 0.000 2.333 140 L HA 0.643 4.982 4.340 -0.001 0.000 0.280 140 L C -1.356 175.343 176.870 -0.284 0.000 1.004 140 L CA -0.189 54.464 54.840 -0.312 0.000 0.820 140 L CB 1.581 43.457 42.059 -0.305 0.000 1.247 140 L HN 0.586 nan 8.230 nan 0.000 0.416 141 L N 4.544 125.574 121.223 -0.322 0.000 2.322 141 L HA 0.815 5.155 4.340 -0.001 0.000 0.279 141 L C 0.041 176.718 176.870 -0.321 0.000 1.036 141 L CA -0.253 54.435 54.840 -0.253 0.000 0.807 141 L CB 1.726 43.661 42.059 -0.207 0.000 1.226 141 L HN 0.837 nan 8.230 nan 0.000 0.433 142 S N -0.004 115.558 115.700 -0.229 0.000 2.776 142 S HA 0.803 5.272 4.470 -0.001 0.000 0.292 142 S C -1.858 172.705 174.600 -0.061 0.000 1.187 142 S CA -0.993 57.070 58.200 -0.230 0.000 0.834 142 S CB 2.346 65.324 63.200 -0.371 0.000 1.199 142 S HN 0.596 nan 8.310 nan 0.000 0.514 143 D N -0.863 119.552 120.400 0.024 0.000 2.581 143 D HA 0.500 5.139 4.640 -0.001 0.000 0.232 143 D C -1.633 174.754 176.300 0.144 0.000 1.143 143 D CA -0.434 53.547 54.000 -0.031 0.000 0.881 143 D CB 1.063 41.719 40.800 -0.240 0.000 1.500 143 D HN 0.735 nan 8.370 nan 0.000 0.458 144 W N 1.842 122.970 121.300 -0.286 0.000 2.900 144 W HA 0.427 5.086 4.660 -0.001 0.000 0.336 144 W C -1.838 174.491 176.519 -0.316 0.000 1.064 144 W CA -0.809 56.474 57.345 -0.103 0.000 1.237 144 W CB 1.356 30.825 29.460 0.015 0.000 1.391 144 W HN 0.368 nan 8.180 nan 0.000 0.468 145 W N 4.042 124.916 121.300 -0.711 0.000 2.578 145 W HA 0.254 4.913 4.660 -0.001 0.000 0.353 145 W C 0.807 176.856 176.519 -0.785 0.000 1.088 145 W CA -0.444 56.503 57.345 -0.664 0.000 1.235 145 W CB 1.159 30.324 29.460 -0.491 0.000 1.362 145 W HN 0.561 nan 8.180 nan 0.000 0.592 146 H N -0.114 118.761 119.070 -0.325 0.000 2.563 146 H HA 0.006 4.562 4.556 -0.001 0.000 0.264 146 H C 0.787 175.977 175.328 -0.230 0.000 0.957 146 H CA 0.122 55.979 56.048 -0.319 0.000 1.173 146 H CB 1.156 30.756 29.762 -0.270 0.000 1.420 146 H HN 0.242 nan 8.280 nan 0.000 0.551 147 Q N 1.476 121.225 119.800 -0.085 0.000 2.312 147 Q HA 0.159 4.498 4.340 -0.001 0.000 0.236 147 Q C -0.372 175.515 176.000 -0.187 0.000 0.965 147 Q CA -0.650 55.083 55.803 -0.117 0.000 0.894 147 Q CB 1.027 29.689 28.738 -0.127 0.000 1.225 147 Q HN 0.173 nan 8.270 nan 0.000 0.478 148 S N 2.916 118.523 115.700 -0.155 0.000 2.564 148 S HA 0.072 4.542 4.470 -0.001 0.000 0.278 148 S C 1.368 175.821 174.600 -0.245 0.000 1.333 148 S CA -0.734 57.369 58.200 -0.162 0.000 1.048 148 S CB 0.495 63.652 63.200 -0.072 0.000 0.900 148 S HN 0.536 nan 8.310 nan 0.000 0.505 149 I N 1.787 122.157 120.570 -0.333 0.000 2.264 149 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 149 I C 1.851 177.691 176.117 -0.463 0.000 1.111 149 I CA 1.823 62.845 61.300 -0.464 0.000 1.382 149 I CB -1.790 35.885 38.000 -0.542 0.000 1.060 149 I HN 0.730 nan 8.210 nan 0.000 0.418 150 H N -0.022 118.962 119.070 -0.143 0.000 2.529 150 H HA -0.024 4.531 4.556 -0.001 0.000 0.277 150 H C 2.181 177.440 175.328 -0.115 0.000 0.999 150 H CA 0.837 56.818 56.048 -0.112 0.000 1.256 150 H CB 0.004 29.714 29.762 -0.086 0.000 1.402 150 H HN 0.274 nan 8.280 nan 0.000 0.566 151 K N 0.752 121.120 120.400 -0.052 0.000 2.243 151 K HA -0.052 4.267 4.320 -0.001 0.000 0.201 151 K C 1.666 178.183 176.600 -0.138 0.000 1.051 151 K CA 0.591 56.834 56.287 -0.073 0.000 0.970 151 K CB 0.348 32.803 32.500 -0.073 0.000 0.755 151 K HN 0.315 nan 8.250 nan 0.000 0.465 152 Q N 0.308 119.971 119.800 -0.229 0.000 2.083 152 Q HA -0.128 4.211 4.340 -0.001 0.000 0.198 152 Q C 1.740 177.549 176.000 -0.319 0.000 0.969 152 Q CA 1.265 56.874 55.803 -0.323 0.000 0.838 152 Q CB 0.098 28.551 28.738 -0.476 0.000 0.900 152 Q HN 0.367 nan 8.270 nan 0.000 0.436 153 E N 0.121 120.138 120.200 -0.305 0.000 2.058 153 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 153 E C 2.082 178.617 176.600 -0.108 0.000 0.997 153 E CA 1.397 57.619 56.400 -0.297 0.000 0.801 153 E CB 0.052 29.666 29.700 -0.145 0.000 0.746 153 E HN 0.118 nan 8.360 nan 0.000 0.450 154 V N 0.626 120.512 119.914 -0.048 0.000 2.427 154 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 154 V C 2.303 178.403 176.094 0.010 0.000 1.051 154 V CA 1.839 64.144 62.300 0.008 0.000 1.048 154 V CB -0.829 30.999 31.823 0.008 0.000 0.666 154 V HN 0.409 nan 8.190 nan 0.000 0.456 155 G N 0.040 108.819 108.800 -0.036 0.000 2.440 155 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 155 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 155 G C 1.466 176.387 174.900 0.034 0.000 1.154 155 G CA 0.889 45.979 45.100 -0.017 0.000 0.767 155 G HN 0.512 nan 8.290 nan 0.000 0.552 156 L N 0.785 122.013 121.223 0.008 0.000 2.492 156 L HA 0.111 4.450 4.340 -0.001 0.000 0.223 156 L C 2.244 179.251 176.870 0.228 0.000 1.132 156 L CA 0.419 55.329 54.840 0.117 0.000 0.850 156 L CB 0.205 42.285 42.059 0.036 0.000 0.966 156 L HN 0.119 nan 8.230 nan 0.000 0.454 157 S N -1.422 114.395 115.700 0.196 0.000 2.556 157 S HA 0.116 4.586 4.470 -0.001 0.000 0.216 157 S C 0.927 175.634 174.600 0.178 0.000 0.970 157 S CA -0.216 58.075 58.200 0.151 0.000 0.912 157 S CB 0.355 63.621 63.200 0.111 0.000 0.790 157 S HN 0.201 nan 8.310 nan 0.000 0.504 158 S N 1.921 117.743 115.700 0.203 0.000 2.632 158 S HA 0.373 4.842 4.470 -0.001 0.000 0.267 158 S C -0.034 174.730 174.600 0.273 0.000 1.276 158 S CA -0.494 57.842 58.200 0.226 0.000 0.998 158 S CB 0.947 64.220 63.200 0.122 0.000 0.953 158 S HN 0.318 nan 8.310 nan 0.000 0.547 159 K N 2.452 122.942 120.400 0.150 0.000 2.483 159 K HA 0.378 4.697 4.320 -0.001 0.000 0.256 159 K C -2.576 174.003 176.600 -0.035 0.000 0.961 159 K CA -1.606 54.632 56.287 -0.083 0.000 0.873 159 K CB 0.708 32.942 32.500 -0.444 0.000 1.107 159 K HN 0.375 nan 8.250 nan 0.000 0.432 160 P HA 0.106 nan 4.420 nan 0.000 0.275 160 P C -0.091 177.240 177.300 0.051 0.000 1.227 160 P CA -0.455 62.644 63.100 -0.002 0.000 0.781 160 P CB 0.789 32.488 31.700 -0.002 0.000 0.906 161 I N 2.956 123.572 120.570 0.077 0.000 2.710 161 I HA -0.040 4.129 4.170 -0.001 0.000 0.286 161 I C 0.494 176.689 176.117 0.131 0.000 1.181 161 I CA -0.073 61.305 61.300 0.130 0.000 1.430 161 I CB 0.294 38.392 38.000 0.162 0.000 1.367 161 I HN 0.296 nan 8.210 nan 0.000 0.577 162 R N 8.175 128.749 120.500 0.124 0.000 2.278 162 R HA 0.154 4.493 4.340 -0.001 0.000 0.322 162 R C -0.650 175.730 176.300 0.133 0.000 1.058 162 R CA -0.557 55.607 56.100 0.107 0.000 0.991 162 R CB 0.717 31.042 30.300 0.042 0.000 1.140 162 R HN 0.666 nan 8.270 nan 0.000 0.518 163 W N 5.827 127.134 121.300 0.011 0.000 2.223 163 W HA -0.033 4.626 4.660 -0.001 0.000 0.334 163 W C 1.118 177.625 176.519 -0.021 0.000 1.334 163 W CA -0.355 56.996 57.345 0.011 0.000 1.246 163 W CB 0.562 30.051 29.460 0.048 0.000 1.184 163 W HN 0.693 nan 8.180 nan 0.000 0.563 164 I N 3.906 123.870 120.570 -1.009 0.000 2.361 164 I HA 0.080 4.249 4.170 -0.001 0.000 0.251 164 I C 1.046 176.771 176.117 -0.652 0.000 1.133 164 I CA 1.298 62.043 61.300 -0.926 0.000 1.413 164 I CB -0.912 36.355 38.000 -1.221 0.000 1.073 164 I HN 0.594 nan 8.210 nan 0.000 0.424 165 G N 1.336 109.624 108.800 -0.854 0.000 2.757 165 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.638 165 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.638 165 G C -0.699 174.344 174.900 0.238 0.000 1.344 165 G CA -0.565 44.524 45.100 -0.018 0.000 0.855 165 G HN 0.371 nan 8.290 nan 0.000 0.537 166 E N 1.518 121.843 120.200 0.209 0.000 2.373 166 E HA 0.327 4.676 4.350 -0.001 0.000 0.267 166 E C -1.596 174.905 176.600 -0.164 0.000 1.032 166 E CA -1.160 55.290 56.400 0.084 0.000 0.889 166 E CB 0.639 30.327 29.700 -0.020 0.000 0.984 166 E HN 0.412 nan 8.360 nan 0.000 0.425 167 P HA -0.014 nan 4.420 nan 0.000 0.268 167 P C 0.126 177.021 177.300 -0.675 0.000 1.208 167 P CA 0.099 62.409 63.100 -1.316 0.000 0.777 167 P CB 0.782 31.665 31.700 -1.362 0.000 0.875 168 Q N -0.205 119.191 119.800 -0.673 0.000 2.212 168 Q HA 0.090 4.429 4.340 -0.001 0.000 0.199 168 Q C 0.227 176.168 176.000 -0.098 0.000 0.950 168 Q CA 1.502 57.104 55.803 -0.335 0.000 0.863 168 Q CB 0.045 28.347 28.738 -0.726 0.000 0.944 168 Q HN 0.515 nan 8.270 nan 0.000 0.465 169 T N -0.146 114.337 114.554 -0.119 0.000 2.956 169 T HA 0.422 4.772 4.350 -0.001 0.000 0.312 169 T C -0.977 173.709 174.700 -0.023 0.000 1.151 169 T CA -0.663 61.456 62.100 0.032 0.000 1.024 169 T CB 1.522 70.513 68.868 0.205 0.000 1.140 169 T HN -0.123 nan 8.240 nan 0.000 0.473 170 I N 3.552 124.102 120.570 -0.034 0.000 2.312 170 I HA 0.346 4.515 4.170 -0.001 0.000 0.291 170 I C -0.073 176.042 176.117 -0.004 0.000 1.031 170 I CA -0.614 60.656 61.300 -0.050 0.000 1.293 170 I CB 0.609 38.566 38.000 -0.072 0.000 1.403 170 I HN 0.487 nan 8.210 nan 0.000 0.484 171 L N 6.823 128.053 121.223 0.012 0.000 2.309 171 L HA 0.449 4.788 4.340 -0.001 0.000 0.282 171 L C -0.674 176.183 176.870 -0.022 0.000 1.036 171 L CA -0.922 53.934 54.840 0.026 0.000 0.806 171 L CB 1.492 43.604 42.059 0.089 0.000 1.220 171 L HN 0.275 nan 8.230 nan 0.000 0.429 172 L N 4.249 125.462 121.223 -0.017 0.000 2.324 172 L HA 0.386 4.725 4.340 -0.001 0.000 0.274 172 L C -0.049 176.788 176.870 -0.055 0.000 1.012 172 L CA -0.144 54.671 54.840 -0.041 0.000 0.859 172 L CB 0.599 42.646 42.059 -0.020 0.000 1.224 172 L HN 0.500 nan 8.230 nan 0.000 0.429 173 N N 3.409 122.035 118.700 -0.123 0.000 2.738 173 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 173 N C 1.160 176.615 175.510 -0.092 0.000 1.047 173 N CA 1.233 54.185 53.050 -0.163 0.000 0.707 173 N CB -0.868 37.444 38.487 -0.292 0.000 0.937 173 N HN 1.038 nan 8.380 nan 0.000 0.545 174 G N -1.505 107.239 108.800 -0.092 0.000 2.184 174 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.264 174 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.264 174 G C 0.163 175.153 174.900 0.149 0.000 0.975 174 G CA 0.897 45.968 45.100 -0.049 0.000 0.642 174 G HN 0.631 nan 8.290 nan 0.000 0.536 175 R N -0.426 120.134 120.500 0.101 0.000 2.803 175 R HA 0.761 5.100 4.340 -0.001 0.000 0.276 175 R C 0.387 176.726 176.300 0.066 0.000 0.978 175 R CA 0.060 56.224 56.100 0.106 0.000 0.939 175 R CB 2.138 32.508 30.300 0.116 0.000 1.179 175 R HN 0.833 nan 8.270 nan 0.000 0.472 176 G N 0.542 109.378 108.800 0.060 0.000 2.495 176 G HA2 0.424 4.383 3.960 -0.001 0.000 0.294 176 G HA3 0.424 4.383 3.960 -0.001 0.000 0.294 176 G C -1.882 173.063 174.900 0.075 0.000 1.397 176 G CA -0.693 44.440 45.100 0.056 0.000 0.790 176 G HN 0.300 nan 8.290 nan 0.000 0.486 177 Q N -0.727 119.122 119.800 0.082 0.000 2.356 177 Q HA 0.726 5.066 4.340 -0.001 0.000 0.270 177 Q C -1.565 174.532 176.000 0.162 0.000 1.058 177 Q CA -0.529 55.335 55.803 0.101 0.000 0.802 177 Q CB 2.914 31.678 28.738 0.044 0.000 1.303 177 Q HN 0.532 nan 8.270 nan 0.000 0.444 178 F N 2.098 122.072 119.950 0.039 0.000 2.520 178 F HA 0.395 4.922 4.527 -0.001 0.000 0.322 178 F C -0.041 175.779 175.800 0.033 0.000 1.103 178 F CA -0.584 57.448 58.000 0.053 0.000 0.926 178 F CB 1.395 40.486 39.000 0.153 0.000 1.154 178 F HN 0.633 nan 8.300 nan 0.000 0.453 179 D N 2.087 122.054 120.400 -0.721 0.000 3.067 179 D HA -0.259 4.380 4.640 -0.001 0.000 0.216 179 D C -0.408 175.764 176.300 -0.213 0.000 1.162 179 D CA 1.671 55.368 54.000 -0.504 0.000 0.960 179 D CB -1.291 39.273 40.800 -0.393 0.000 1.129 179 D HN 0.649 nan 8.370 nan 0.000 0.408 180 c N -2.909 115.608 118.600 -0.138 0.000 3.318 180 c HA 0.851 5.421 4.570 -0.001 0.000 0.322 180 c C -0.361 173.688 174.090 -0.070 0.000 1.398 180 c CA -0.385 55.894 56.329 -0.083 0.000 1.339 180 c CB 2.330 44.814 42.510 -0.044 0.000 1.668 180 c HN 0.217 nan 8.230 nan 0.000 0.462 181 S N -0.281 115.384 115.700 -0.058 0.000 2.547 181 S HA 0.581 5.050 4.470 -0.001 0.000 0.281 181 S C 0.473 175.057 174.600 -0.027 0.000 1.118 181 S CA -0.435 57.729 58.200 -0.059 0.000 0.947 181 S CB 1.161 64.309 63.200 -0.086 0.000 1.053 181 S HN 1.393 nan 8.310 nan 0.000 0.482 182 I N 1.945 122.512 120.570 -0.005 0.000 3.111 182 I HA 0.374 4.543 4.170 -0.001 0.000 0.272 182 I C 1.118 177.306 176.117 0.117 0.000 1.268 182 I CA 0.677 62.021 61.300 0.074 0.000 1.467 182 I CB -0.123 37.963 38.000 0.143 0.000 1.087 182 I HN 0.508 nan 8.210 nan 0.000 0.467 183 A N 0.978 123.777 122.820 -0.035 0.000 2.708 183 A HA 0.734 5.053 4.320 -0.001 0.000 0.293 183 A C 1.965 179.569 177.584 0.033 0.000 1.303 183 A CA 0.306 52.338 52.037 -0.007 0.000 0.949 183 A CB -0.365 18.368 19.000 -0.446 0.000 1.121 183 A HN 0.450 nan 8.150 nan 0.000 0.542 184 A N 0.719 123.523 122.820 -0.026 0.000 2.070 184 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 184 A C 2.006 179.527 177.584 -0.104 0.000 1.159 184 A CA 1.743 53.748 52.037 -0.053 0.000 0.656 184 A CB -0.370 18.598 19.000 -0.055 0.000 0.800 184 A HN 0.576 nan 8.150 nan 0.000 0.453 185 K N -1.019 119.247 120.400 -0.223 0.000 2.127 185 K HA -0.228 4.092 4.320 -0.001 0.000 0.208 185 K C 1.216 177.552 176.600 -0.440 0.000 1.047 185 K CA 2.045 58.085 56.287 -0.411 0.000 0.927 185 K CB -0.331 31.790 32.500 -0.633 0.000 0.716 185 K HN 0.626 nan 8.250 nan 0.000 0.450 186 Y N -0.211 120.073 120.300 -0.026 0.000 2.511 186 Y HA 0.148 4.698 4.550 -0.002 0.000 0.279 186 Y C 0.074 175.947 175.900 -0.046 0.000 1.157 186 Y CA -0.139 57.941 58.100 -0.033 0.000 1.300 186 Y CB 0.403 38.832 38.460 -0.051 0.000 1.052 186 Y HN -0.010 nan 8.280 nan 0.000 0.529 187 D N -1.359 119.060 120.400 0.030 0.000 2.763 187 D HA 0.175 4.815 4.640 -0.001 0.000 0.235 187 D C 0.159 176.444 176.300 -0.024 0.000 1.334 187 D CA -0.136 53.868 54.000 0.006 0.000 0.950 187 D CB 1.604 42.408 40.800 0.006 0.000 1.433 187 D HN -0.111 nan 8.370 nan 0.000 0.580 188 S N 2.262 117.947 115.700 -0.026 0.000 2.500 188 S HA -0.086 4.383 4.470 -0.001 0.000 0.239 188 S C 1.379 175.959 174.600 -0.033 0.000 0.989 188 S CA 0.529 58.710 58.200 -0.032 0.000 0.951 188 S CB -0.184 63.000 63.200 -0.027 0.000 0.759 188 S HN 0.572 nan 8.310 nan 0.000 0.523 189 N N 0.479 119.159 118.700 -0.032 0.000 2.463 189 N HA 0.154 4.894 4.740 -0.001 0.000 0.181 189 N C -0.108 175.374 175.510 -0.047 0.000 1.078 189 N CA 0.166 53.194 53.050 -0.037 0.000 0.902 189 N CB 0.067 38.533 38.487 -0.034 0.000 0.970 189 N HN 0.323 nan 8.380 nan 0.000 0.451 190 L N 0.686 121.880 121.223 -0.050 0.000 2.375 190 L HA 0.337 4.677 4.340 -0.001 0.000 0.268 190 L C 0.013 176.848 176.870 -0.058 0.000 1.058 190 L CA -0.657 54.147 54.840 -0.061 0.000 0.803 190 L CB 1.427 43.450 42.059 -0.061 0.000 1.212 190 L HN -0.059 nan 8.230 nan 0.000 0.451 191 E N 2.130 122.291 120.200 -0.065 0.000 2.197 191 E HA 0.339 4.688 4.350 -0.001 0.000 0.281 191 E C -2.459 174.111 176.600 -0.050 0.000 0.995 191 E CA -1.800 54.566 56.400 -0.056 0.000 0.808 191 E CB 1.431 31.094 29.700 -0.062 0.000 1.093 191 E HN 0.155 nan 8.360 nan 0.000 0.394 192 P HA 0.108 nan 4.420 nan 0.000 0.275 192 P C -0.744 176.542 177.300 -0.023 0.000 1.227 192 P CA -0.455 62.626 63.100 -0.031 0.000 0.781 192 P CB 0.623 32.304 31.700 -0.032 0.000 0.906 193 c N 3.602 122.195 118.600 -0.012 0.000 2.593 193 c HA 0.173 4.742 4.570 -0.001 0.000 0.409 193 c C 1.002 175.090 174.090 -0.003 0.000 1.304 193 c CA -0.224 56.103 56.329 -0.004 0.000 2.007 193 c CB -0.693 41.821 42.510 0.007 0.000 2.614 193 c HN 0.475 nan 8.230 nan 0.000 0.585 194 K N 3.413 123.810 120.400 -0.005 0.000 2.319 194 K HA 0.462 4.782 4.320 -0.001 0.000 0.237 194 K C -0.898 175.699 176.600 -0.005 0.000 1.113 194 K CA 0.232 56.515 56.287 -0.007 0.000 1.072 194 K CB 0.145 32.639 32.500 -0.010 0.000 1.734 194 K HN 0.560 nan 8.250 nan 0.000 0.429 195 L N 2.028 123.251 121.223 -0.001 0.000 2.341 195 L HA 0.336 4.676 4.340 -0.001 0.000 0.278 195 L C 0.831 177.701 176.870 -0.000 0.000 1.005 195 L CA -0.671 54.169 54.840 0.000 0.000 0.818 195 L CB 1.813 43.877 42.059 0.008 0.000 1.259 195 L HN 0.350 nan 8.230 nan 0.000 0.418 196 K N 1.551 121.949 120.400 -0.003 0.000 2.361 196 K HA 0.202 4.521 4.320 -0.001 0.000 0.196 196 K C 1.198 177.799 176.600 0.002 0.000 1.039 196 K CA 0.707 56.993 56.287 -0.002 0.000 1.001 196 K CB 0.381 32.878 32.500 -0.005 0.000 0.795 196 K HN 0.995 nan 8.250 nan 0.000 0.495 197 G N 0.758 109.561 108.800 0.005 0.000 2.231 197 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.206 197 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.206 197 G C 1.008 175.916 174.900 0.013 0.000 0.996 197 G CA 0.374 45.480 45.100 0.010 0.000 0.645 197 G HN 0.318 nan 8.290 nan 0.000 0.498 198 S N 0.018 115.722 115.700 0.007 0.000 2.524 198 S HA 0.390 4.859 4.470 -0.001 0.000 0.216 198 S C 0.648 175.249 174.600 0.002 0.000 0.987 198 S CA 0.707 58.912 58.200 0.008 0.000 0.909 198 S CB 0.548 63.749 63.200 0.002 0.000 0.781 198 S HN 0.502 nan 8.310 nan 0.000 0.521 199 E N 2.422 122.616 120.200 -0.009 0.000 2.392 199 E HA 0.295 4.644 4.350 -0.001 0.000 0.259 199 E C 1.242 177.822 176.600 -0.032 0.000 1.108 199 E CA 0.361 56.739 56.400 -0.037 0.000 0.916 199 E CB 0.538 30.215 29.700 -0.038 0.000 0.989 199 E HN 0.313 nan 8.360 nan 0.000 0.432 200 S N 0.029 115.661 115.700 -0.114 0.000 2.400 200 S HA -0.229 4.240 4.470 -0.001 0.000 0.232 200 S C 1.741 176.347 174.600 0.011 0.000 1.025 200 S CA 1.229 59.357 58.200 -0.120 0.000 0.993 200 S CB -0.708 62.173 63.200 -0.532 0.000 0.808 200 S HN 0.733 nan 8.310 nan 0.000 0.478 201 c N 1.170 119.757 118.600 -0.021 0.000 2.780 201 c HA 0.812 5.381 4.570 -0.001 0.000 0.287 201 c C 1.097 175.211 174.090 0.040 0.000 1.288 201 c CA -1.187 55.157 56.329 0.024 0.000 1.713 201 c CB -1.845 40.670 42.510 0.007 0.000 1.955 201 c HN 0.602 nan 8.230 nan 0.000 0.613 202 A N 3.054 125.897 122.820 0.038 0.000 2.425 202 A HA 0.592 4.911 4.320 -0.001 0.000 0.249 202 A C -1.993 175.626 177.584 0.058 0.000 1.084 202 A CA -0.851 51.209 52.037 0.039 0.000 0.781 202 A CB -0.026 18.991 19.000 0.029 0.000 1.019 202 A HN 0.555 nan 8.150 nan 0.000 0.490 203 P HA 0.006 nan 4.420 nan 0.000 0.271 203 P C -0.907 176.437 177.300 0.074 0.000 1.216 203 P CA 0.105 63.238 63.100 0.055 0.000 0.771 203 P CB 0.311 32.027 31.700 0.027 0.000 0.864 204 Y N 4.422 124.709 120.300 -0.022 0.000 2.730 204 Y HA 0.119 4.669 4.550 -0.001 0.000 0.354 204 Y C 0.348 176.202 175.900 -0.077 0.000 1.139 204 Y CA 0.119 58.224 58.100 0.009 0.000 1.516 204 Y CB -0.654 37.850 38.460 0.073 0.000 1.204 204 Y HN 0.229 nan 8.280 nan 0.000 0.520 205 I N 6.740 127.252 120.570 -0.095 0.000 2.519 205 I HA 0.040 4.209 4.170 -0.001 0.000 0.287 205 I C -0.626 175.433 176.117 -0.096 0.000 1.047 205 I CA -0.406 60.770 61.300 -0.206 0.000 1.381 205 I CB 0.434 38.249 38.000 -0.308 0.000 1.417 205 I HN 0.376 nan 8.210 nan 0.000 0.540 206 F N 4.955 124.788 119.950 -0.194 0.000 2.368 206 F HA 0.270 4.797 4.527 -0.001 0.000 0.362 206 F C 0.596 176.234 175.800 -0.270 0.000 1.137 206 F CA -0.754 57.163 58.000 -0.139 0.000 1.161 206 F CB -0.529 38.437 39.000 -0.057 0.000 1.265 206 F HN 0.328 nan 8.300 nan 0.000 0.530 207 H N 3.193 122.307 119.070 0.073 0.000 2.620 207 H HA 0.530 5.085 4.556 -0.001 0.000 0.313 207 H C -0.065 175.189 175.328 -0.123 0.000 1.075 207 H CA -0.159 55.881 56.048 -0.013 0.000 1.397 207 H CB 1.765 31.521 29.762 -0.010 0.000 1.446 207 H HN 0.403 nan 8.280 nan 0.000 0.493 208 V N 0.488 120.361 119.914 -0.069 0.000 3.007 208 V HA 0.566 4.685 4.120 -0.001 0.000 0.311 208 V C -0.013 176.027 176.094 -0.090 0.000 1.120 208 V CA -0.972 61.178 62.300 -0.249 0.000 0.980 208 V CB 2.178 33.649 31.823 -0.587 0.000 1.033 208 V HN 0.622 nan 8.190 nan 0.000 0.429 209 S N 3.218 118.955 115.700 0.062 0.000 2.565 209 S HA 0.739 5.208 4.470 -0.001 0.000 0.290 209 S C -2.609 171.977 174.600 -0.024 0.000 1.150 209 S CA -1.046 57.179 58.200 0.041 0.000 1.058 209 S CB 1.466 64.727 63.200 0.101 0.000 1.032 209 S HN 0.825 nan 8.310 nan 0.000 0.510 210 P HA 0.221 nan 4.420 nan 0.000 0.272 210 P C -0.393 176.945 177.300 0.064 0.000 1.240 210 P CA -0.267 62.838 63.100 0.008 0.000 0.791 210 P CB 0.251 32.045 31.700 0.157 0.000 0.978 211 K N -1.882 118.573 120.400 0.092 0.000 3.020 211 K HA -0.169 4.151 4.320 -0.001 0.000 0.266 211 K C -0.043 176.595 176.600 0.063 0.000 1.067 211 K CA 1.230 57.567 56.287 0.085 0.000 0.780 211 K CB -1.494 31.051 32.500 0.075 0.000 1.220 211 K HN 0.498 nan 8.250 nan 0.000 0.483 212 K N -0.041 120.398 120.400 0.066 0.000 2.313 212 K HA 0.540 4.859 4.320 -0.001 0.000 0.235 212 K C 0.267 176.856 176.600 -0.018 0.000 1.035 212 K CA -0.540 55.732 56.287 -0.026 0.000 0.868 212 K CB 1.366 33.777 32.500 -0.149 0.000 1.232 212 K HN -0.064 nan 8.250 nan 0.000 0.459 213 T N 0.919 115.367 114.554 -0.176 0.000 2.863 213 T HA 0.613 4.962 4.350 -0.001 0.000 0.285 213 T C -1.104 173.449 174.700 -0.245 0.000 1.009 213 T CA -0.527 61.545 62.100 -0.046 0.000 0.989 213 T CB 0.574 69.459 68.868 0.028 0.000 1.004 213 T HN 0.269 nan 8.240 nan 0.000 0.455 214 Y N 0.596 120.908 120.300 0.020 0.000 2.545 214 Y HA 0.606 5.156 4.550 -0.001 0.000 0.348 214 Y C 0.208 176.000 175.900 -0.180 0.000 1.002 214 Y CA -1.349 56.728 58.100 -0.039 0.000 1.039 214 Y CB 1.797 40.214 38.460 -0.073 0.000 1.271 214 Y HN 0.485 nan 8.280 nan 0.000 0.467 215 R N 2.955 123.290 120.500 -0.274 0.000 2.198 215 R HA 0.572 4.912 4.340 -0.001 0.000 0.339 215 R C -1.634 174.488 176.300 -0.295 0.000 1.020 215 R CA -0.098 55.707 56.100 -0.492 0.000 0.864 215 R CB 0.032 29.657 30.300 -1.125 0.000 1.105 215 R HN 0.711 nan 8.270 nan 0.000 0.463 216 I N 5.860 126.282 120.570 -0.247 0.000 2.307 216 I HA 0.298 4.468 4.170 -0.001 0.000 0.289 216 I C 0.209 176.154 176.117 -0.287 0.000 1.021 216 I CA -0.682 60.447 61.300 -0.284 0.000 1.224 216 I CB 1.239 39.080 38.000 -0.264 0.000 1.376 216 I HN 0.500 nan 8.210 nan 0.000 0.470 217 R N 7.283 127.618 120.500 -0.275 0.000 2.265 217 R HA 0.654 4.993 4.340 -0.001 0.000 0.314 217 R C -0.857 175.280 176.300 -0.271 0.000 1.053 217 R CA -0.379 55.580 56.100 -0.234 0.000 0.931 217 R CB 1.075 31.261 30.300 -0.189 0.000 1.024 217 R HN 0.543 nan 8.270 nan 0.000 0.457 218 I N 1.911 122.330 120.570 -0.252 0.000 2.478 218 I HA 0.480 4.649 4.170 -0.001 0.000 0.287 218 I C -0.520 175.470 176.117 -0.211 0.000 1.042 218 I CA -0.610 60.515 61.300 -0.291 0.000 1.067 218 I CB 2.145 39.902 38.000 -0.404 0.000 1.233 218 I HN 0.650 nan 8.210 nan 0.000 0.431 219 A N 3.928 126.582 122.820 -0.277 0.000 2.454 219 A HA 0.866 5.186 4.320 -0.001 0.000 0.302 219 A C -0.872 176.415 177.584 -0.495 0.000 1.079 219 A CA -0.622 51.202 52.037 -0.354 0.000 0.731 219 A CB 2.087 20.828 19.000 -0.430 0.000 1.299 219 A HN 0.551 nan 8.150 nan 0.000 0.413 220 S N -0.108 115.259 115.700 -0.555 0.000 2.500 220 S HA 0.653 5.122 4.470 -0.001 0.000 0.301 220 S C -0.220 173.961 174.600 -0.698 0.000 1.092 220 S CA -0.064 57.823 58.200 -0.521 0.000 1.030 220 S CB 1.084 64.129 63.200 -0.260 0.000 1.031 220 S HN 0.808 nan 8.310 nan 0.000 0.483 221 T N 2.213 116.389 114.554 -0.630 0.000 3.380 221 T HA 0.198 4.548 4.350 -0.001 0.000 0.289 221 T C 0.286 174.794 174.700 -0.321 0.000 1.012 221 T CA -0.375 61.441 62.100 -0.473 0.000 0.944 221 T CB -0.358 68.120 68.868 -0.651 0.000 1.172 221 T HN 0.801 nan 8.240 nan 0.000 0.502 222 T N -0.090 114.339 114.554 -0.209 0.000 2.940 222 T HA 0.472 4.821 4.350 -0.001 0.000 0.309 222 T C 1.688 176.377 174.700 -0.018 0.000 1.056 222 T CA -0.093 61.947 62.100 -0.100 0.000 1.137 222 T CB 1.218 70.045 68.868 -0.069 0.000 0.976 222 T HN 0.185 nan 8.240 nan 0.000 0.547 223 A N 2.073 124.935 122.820 0.069 0.000 1.968 223 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 223 A C 1.876 179.483 177.584 0.039 0.000 1.169 223 A CA 1.172 53.229 52.037 0.033 0.000 0.638 223 A CB -0.484 18.545 19.000 0.048 0.000 0.812 223 A HN 0.859 nan 8.150 nan 0.000 0.446 224 L N -2.898 118.416 121.223 0.152 0.000 2.658 224 L HA 0.576 4.915 4.340 -0.001 0.000 0.222 224 L C 1.010 177.939 176.870 0.098 0.000 1.033 224 L CA 0.913 55.830 54.840 0.128 0.000 0.949 224 L CB -0.182 42.041 42.059 0.275 0.000 1.698 224 L HN 0.146 nan 8.230 nan 0.000 0.498 225 A N 1.197 124.056 122.820 0.065 0.000 2.477 225 A HA 0.617 4.937 4.320 -0.001 0.000 0.246 225 A C 0.198 177.787 177.584 0.008 0.000 1.078 225 A CA 0.325 52.372 52.037 0.017 0.000 0.770 225 A CB -0.262 18.705 19.000 -0.054 0.000 1.011 225 A HN 0.519 nan 8.150 nan 0.000 0.494 226 A N 2.938 125.767 122.820 0.014 0.000 2.260 226 A HA 0.644 4.963 4.320 -0.001 0.000 0.308 226 A C -0.181 177.320 177.584 -0.137 0.000 1.254 226 A CA -0.390 51.605 52.037 -0.070 0.000 0.874 226 A CB 0.150 19.160 19.000 0.018 0.000 1.153 226 A HN 0.812 nan 8.150 nan 0.000 0.527 227 L N 2.059 123.164 121.223 -0.196 0.000 2.313 227 L HA 0.557 4.897 4.340 -0.001 0.000 0.268 227 L C 0.236 176.997 176.870 -0.182 0.000 1.010 227 L CA -0.868 53.882 54.840 -0.150 0.000 0.814 227 L CB 1.756 43.748 42.059 -0.112 0.000 1.304 227 L HN 0.783 nan 8.230 nan 0.000 0.441 228 N N 0.851 119.475 118.700 -0.126 0.000 2.399 228 N HA 0.293 5.033 4.740 -0.001 0.000 0.284 228 N C -1.865 173.605 175.510 -0.066 0.000 1.025 228 N CA -0.377 52.593 53.050 -0.134 0.000 0.885 228 N CB 1.804 40.207 38.487 -0.140 0.000 1.339 228 N HN 0.364 nan 8.380 nan 0.000 0.487 229 F N 3.440 123.271 119.950 -0.199 0.000 2.415 229 F HA 0.686 5.213 4.527 -0.001 0.000 0.348 229 F C -0.592 175.138 175.800 -0.118 0.000 1.119 229 F CA -0.324 57.590 58.000 -0.143 0.000 1.069 229 F CB 0.997 39.909 39.000 -0.146 0.000 1.124 229 F HN 0.522 nan 8.300 nan 0.000 0.472 230 A N 7.080 129.426 122.820 -0.790 0.000 2.549 230 A HA 0.764 5.083 4.320 -0.001 0.000 0.297 230 A C -1.591 175.656 177.584 -0.563 0.000 1.061 230 A CA -0.653 51.065 52.037 -0.531 0.000 0.690 230 A CB 1.153 19.994 19.000 -0.264 0.000 1.287 230 A HN 0.674 nan 8.150 nan 0.000 0.402 231 I N 1.839 122.224 120.570 -0.309 0.000 2.436 231 I HA 0.436 4.605 4.170 -0.001 0.000 0.289 231 I C 0.962 177.086 176.117 0.012 0.000 1.010 231 I CA -0.813 60.398 61.300 -0.148 0.000 1.098 231 I CB 1.970 39.923 38.000 -0.078 0.000 1.266 231 I HN 0.835 nan 8.210 nan 0.000 0.434 232 G N 3.513 112.369 108.800 0.094 0.000 2.254 232 G HA2 0.027 3.986 3.960 -0.001 0.000 0.253 232 G HA3 0.027 3.986 3.960 -0.001 0.000 0.253 232 G C 0.401 175.432 174.900 0.219 0.000 1.246 232 G CA 0.177 45.382 45.100 0.175 0.000 0.946 232 G HN 0.949 nan 8.290 nan 0.000 0.474 233 N N -0.188 118.568 118.700 0.094 0.000 2.741 233 N HA -0.180 4.559 4.740 -0.001 0.000 0.250 233 N C -0.689 174.677 175.510 -0.240 0.000 1.115 233 N CA 1.242 54.249 53.050 -0.072 0.000 0.724 233 N CB -1.256 37.135 38.487 -0.159 0.000 1.090 233 N HN 0.826 nan 8.380 nan 0.000 0.558 234 H N -0.734 118.274 119.070 -0.102 0.000 3.018 234 H HA 0.395 4.951 4.556 -0.001 0.000 0.334 234 H C -0.423 174.905 175.328 -0.001 0.000 0.983 234 H CA -0.601 55.412 56.048 -0.058 0.000 1.363 234 H CB 1.177 30.912 29.762 -0.044 0.000 1.668 234 H HN 0.074 nan 8.280 nan 0.000 0.513 235 Q N 2.267 122.122 119.800 0.091 0.000 2.306 235 Q HA 0.482 4.821 4.340 -0.001 0.000 0.241 235 Q C -1.014 175.115 176.000 0.216 0.000 0.948 235 Q CA -0.482 55.401 55.803 0.134 0.000 0.886 235 Q CB 0.773 29.567 28.738 0.092 0.000 1.227 235 Q HN 0.586 nan 8.270 nan 0.000 0.457 236 L N 3.158 124.503 121.223 0.202 0.000 2.334 236 L HA 0.528 4.868 4.340 -0.001 0.000 0.276 236 L C -0.991 175.873 176.870 -0.009 0.000 1.014 236 L CA -1.264 53.641 54.840 0.108 0.000 0.815 236 L CB 1.316 43.415 42.059 0.066 0.000 1.268 236 L HN 0.505 nan 8.230 nan 0.000 0.428 237 L N 3.424 124.525 121.223 -0.204 0.000 2.280 237 L HA 0.456 4.795 4.340 -0.001 0.000 0.287 237 L C -0.445 176.162 176.870 -0.438 0.000 1.023 237 L CA -0.246 54.282 54.840 -0.520 0.000 0.819 237 L CB 1.596 43.263 42.059 -0.655 0.000 1.212 237 L HN 0.292 nan 8.230 nan 0.000 0.420 238 V N 6.448 126.009 119.914 -0.589 0.000 2.470 238 V HA 0.156 4.275 4.120 -0.001 0.000 0.276 238 V C 0.976 176.840 176.094 -0.384 0.000 1.040 238 V CA 0.466 62.455 62.300 -0.518 0.000 1.008 238 V CB 0.985 32.248 31.823 -0.932 0.000 0.990 238 V HN 0.762 nan 8.190 nan 0.000 0.477 239 V N 0.964 120.707 119.914 -0.284 0.000 3.497 239 V HA 0.492 4.611 4.120 -0.001 0.000 0.272 239 V C 0.367 176.433 176.094 -0.048 0.000 1.474 239 V CA 0.252 62.389 62.300 -0.271 0.000 1.025 239 V CB 0.538 31.918 31.823 -0.738 0.000 0.820 239 V HN 0.766 nan 8.190 nan 0.000 0.437 240 E N 0.648 120.825 120.200 -0.038 0.000 2.356 240 E HA 0.753 5.103 4.350 -0.001 0.000 0.275 240 E C -1.665 174.896 176.600 -0.065 0.000 0.904 240 E CA -0.215 56.169 56.400 -0.027 0.000 0.757 240 E CB 2.593 32.257 29.700 -0.060 0.000 1.232 240 E HN 0.516 nan 8.360 nan 0.000 0.442 241 A N 3.153 125.880 122.820 -0.155 0.000 2.429 241 A HA 0.490 4.809 4.320 -0.001 0.000 0.289 241 A C -1.019 176.385 177.584 -0.301 0.000 1.043 241 A CA -0.414 51.425 52.037 -0.329 0.000 0.722 241 A CB 0.828 19.690 19.000 -0.230 0.000 1.243 241 A HN 0.725 nan 8.150 nan 0.000 0.415 242 D N 1.651 121.846 120.400 -0.342 0.000 2.689 242 D HA -0.142 4.497 4.640 -0.001 0.000 0.237 242 D C 1.273 177.464 176.300 -0.182 0.000 1.148 242 D CA 3.093 56.963 54.000 -0.217 0.000 0.656 242 D CB -1.176 39.521 40.800 -0.173 0.000 1.050 242 D HN 2.165 nan 8.370 nan 0.000 0.426 243 G N -1.171 107.420 108.800 -0.347 0.000 2.184 243 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.264 243 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.264 243 G C 0.275 175.002 174.900 -0.287 0.000 0.975 243 G CA 0.421 45.304 45.100 -0.361 0.000 0.642 243 G HN 0.537 nan 8.290 nan 0.000 0.536 244 N N -0.692 117.837 118.700 -0.285 0.000 2.362 244 N HA 0.588 5.327 4.740 -0.001 0.000 0.299 244 N C -0.979 174.367 175.510 -0.273 0.000 1.170 244 N CA -0.503 52.386 53.050 -0.269 0.000 0.825 244 N CB 1.086 39.501 38.487 -0.120 0.000 1.299 244 N HN 0.083 nan 8.380 nan 0.000 0.502 245 Y N 0.063 120.405 120.300 0.069 0.000 2.308 245 Y HA 0.311 4.860 4.550 -0.001 0.000 0.329 245 Y C 0.861 176.820 175.900 0.098 0.000 1.111 245 Y CA -0.773 57.392 58.100 0.107 0.000 1.179 245 Y CB 0.857 39.412 38.460 0.158 0.000 1.201 245 Y HN 0.138 nan 8.280 nan 0.000 0.483 246 V N 0.284 120.351 119.914 0.254 0.000 2.975 246 V HA 0.445 4.564 4.120 -0.001 0.000 0.318 246 V C -0.261 175.953 176.094 0.200 0.000 1.077 246 V CA -1.473 60.953 62.300 0.210 0.000 1.000 246 V CB 1.683 33.633 31.823 0.211 0.000 1.066 246 V HN 0.803 nan 8.190 nan 0.000 0.452 247 Q N 2.272 122.191 119.800 0.199 0.000 2.244 247 Q HA 0.254 4.594 4.340 -0.001 0.000 0.278 247 Q C -2.321 173.805 176.000 0.211 0.000 1.093 247 Q CA -1.269 54.640 55.803 0.177 0.000 0.916 247 Q CB 0.673 29.507 28.738 0.160 0.000 1.159 247 Q HN 0.643 nan 8.270 nan 0.000 0.384 248 P HA 0.050 nan 4.420 nan 0.000 0.267 248 P C -1.213 176.175 177.300 0.148 0.000 1.200 248 P CA 0.301 63.415 63.100 0.023 0.000 0.772 248 P CB 0.266 31.926 31.700 -0.067 0.000 0.855 249 F N -0.601 119.295 119.950 -0.090 0.000 2.719 249 F HA 0.575 5.101 4.527 -0.001 0.000 0.309 249 F C -1.878 173.865 175.800 -0.094 0.000 1.138 249 F CA -1.349 56.629 58.000 -0.037 0.000 0.943 249 F CB 0.695 39.718 39.000 0.039 0.000 1.304 249 F HN 0.127 nan 8.300 nan 0.000 0.445 250 Y N 0.482 120.936 120.300 0.257 0.000 2.361 250 Y HA 0.685 5.234 4.550 -0.001 0.000 0.332 250 Y C 0.380 176.427 175.900 0.245 0.000 1.101 250 Y CA -0.400 57.783 58.100 0.139 0.000 1.137 250 Y CB 2.099 40.623 38.460 0.106 0.000 1.207 250 Y HN 0.912 nan 8.280 nan 0.000 0.463 251 T N 0.041 114.797 114.554 0.337 0.000 2.932 251 T HA 0.243 4.592 4.350 -0.001 0.000 0.318 251 T C 0.318 175.119 174.700 0.168 0.000 1.265 251 T CA -0.283 61.987 62.100 0.283 0.000 1.036 251 T CB 0.763 69.851 68.868 0.367 0.000 1.209 251 T HN 0.628 nan 8.240 nan 0.000 0.484 252 S N 1.823 117.589 115.700 0.110 0.000 2.527 252 S HA 0.251 4.720 4.470 -0.001 0.000 0.222 252 S C 0.112 174.713 174.600 0.002 0.000 0.985 252 S CA 0.586 58.816 58.200 0.050 0.000 0.921 252 S CB -0.597 62.618 63.200 0.024 0.000 0.772 252 S HN 0.895 nan 8.310 nan 0.000 0.529 253 D N -0.146 120.244 120.400 -0.016 0.000 2.722 253 D HA 0.480 5.120 4.640 -0.001 0.000 0.231 253 D C -0.800 175.371 176.300 -0.214 0.000 1.218 253 D CA -0.949 52.995 54.000 -0.094 0.000 0.753 253 D CB 0.596 41.319 40.800 -0.128 0.000 1.471 253 D HN 0.328 nan 8.370 nan 0.000 0.455 254 I N -2.272 118.124 120.570 -0.290 0.000 2.797 254 I HA 0.709 4.879 4.170 -0.001 0.000 0.307 254 I C -1.110 174.620 176.117 -0.644 0.000 1.033 254 I CA -0.890 59.974 61.300 -0.726 0.000 1.071 254 I CB 1.998 39.625 38.000 -0.622 0.000 1.255 254 I HN 0.187 nan 8.210 nan 0.000 0.445 255 D N 4.587 124.453 120.400 -0.890 0.000 2.168 255 D HA 0.567 5.206 4.640 -0.001 0.000 0.246 255 D C -0.891 175.180 176.300 -0.382 0.000 1.050 255 D CA 0.001 53.704 54.000 -0.496 0.000 0.857 255 D CB 3.105 43.719 40.800 -0.310 0.000 1.169 255 D HN 0.574 nan 8.370 nan 0.000 0.453 256 I N 1.898 122.249 120.570 -0.366 0.000 2.534 256 I HA 0.281 4.450 4.170 -0.001 0.000 0.288 256 I C -1.542 174.403 176.117 -0.287 0.000 1.077 256 I CA -0.659 60.562 61.300 -0.131 0.000 1.051 256 I CB 1.192 39.159 38.000 -0.055 0.000 1.234 256 I HN 0.220 nan 8.210 nan 0.000 0.425 257 Y N 3.942 124.313 120.300 0.118 0.000 2.534 257 Y HA 0.371 4.921 4.550 -0.001 0.000 0.329 257 Y C 0.856 176.770 175.900 0.022 0.000 1.154 257 Y CA -0.412 57.732 58.100 0.073 0.000 1.192 257 Y CB 1.514 40.034 38.460 0.100 0.000 1.275 257 Y HN 0.469 nan 8.280 nan 0.000 0.491 258 S N 0.687 116.480 115.700 0.155 0.000 2.563 258 S HA 0.309 4.778 4.470 -0.001 0.000 0.294 258 S C 1.048 175.559 174.600 -0.148 0.000 1.279 258 S CA 1.141 59.368 58.200 0.045 0.000 1.069 258 S CB -0.604 62.694 63.200 0.164 0.000 0.828 258 S HN 1.188 nan 8.310 nan 0.000 0.497 259 G N 3.598 112.184 108.800 -0.357 0.000 2.194 259 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.236 259 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.236 259 G C -0.134 174.745 174.900 -0.036 0.000 0.987 259 G CA 0.190 44.962 45.100 -0.548 0.000 0.635 259 G HN 0.682 nan 8.290 nan 0.000 0.520 260 E N 0.551 120.763 120.200 0.021 0.000 2.283 260 E HA 0.620 4.969 4.350 -0.001 0.000 0.267 260 E C 0.059 176.657 176.600 -0.003 0.000 1.045 260 E CA 0.124 56.556 56.400 0.053 0.000 0.884 260 E CB 1.498 31.307 29.700 0.182 0.000 1.106 260 E HN 0.546 nan 8.360 nan 0.000 0.408 261 S N 0.991 116.605 115.700 -0.143 0.000 2.546 261 S HA 0.628 5.097 4.470 -0.001 0.000 0.274 261 S C -1.349 173.031 174.600 -0.368 0.000 1.121 261 S CA -0.838 57.270 58.200 -0.154 0.000 0.887 261 S CB 0.794 63.935 63.200 -0.099 0.000 1.094 261 S HN 0.456 nan 8.310 nan 0.000 0.474 262 Y N -0.181 120.046 120.300 -0.121 0.000 2.562 262 Y HA 0.705 5.254 4.550 -0.001 0.000 0.345 262 Y C 0.007 175.798 175.900 -0.182 0.000 1.045 262 Y CA -0.740 57.290 58.100 -0.117 0.000 1.028 262 Y CB 2.737 41.151 38.460 -0.077 0.000 1.297 262 Y HN 0.774 nan 8.280 nan 0.000 0.463 263 S N 1.158 116.850 115.700 -0.013 0.000 2.521 263 S HA 0.743 5.213 4.470 -0.001 0.000 0.295 263 S C -1.503 173.007 174.600 -0.149 0.000 1.098 263 S CA -0.665 57.461 58.200 -0.125 0.000 0.999 263 S CB 1.753 64.870 63.200 -0.138 0.000 1.034 263 S HN 0.372 nan 8.310 nan 0.000 0.483 264 V N 4.165 123.964 119.914 -0.192 0.000 2.709 264 V HA 0.586 4.705 4.120 -0.001 0.000 0.308 264 V C -1.357 174.620 176.094 -0.195 0.000 1.062 264 V CA -0.653 61.534 62.300 -0.189 0.000 0.901 264 V CB 1.911 33.654 31.823 -0.134 0.000 1.003 264 V HN 0.706 nan 8.190 nan 0.000 0.425 265 L N 6.170 127.277 121.223 -0.192 0.000 2.331 265 L HA 0.726 5.065 4.340 -0.001 0.000 0.275 265 L C -0.296 176.569 176.870 -0.008 0.000 1.022 265 L CA -0.052 54.716 54.840 -0.120 0.000 0.812 265 L CB 1.740 43.719 42.059 -0.133 0.000 1.257 265 L HN 0.639 nan 8.230 nan 0.000 0.435 266 I N -2.062 118.553 120.570 0.074 0.000 2.865 266 I HA 0.770 4.939 4.170 -0.001 0.000 0.302 266 I C -0.773 175.465 176.117 0.203 0.000 1.140 266 I CA -0.502 60.892 61.300 0.156 0.000 1.021 266 I CB 2.494 40.594 38.000 0.167 0.000 1.233 266 I HN 0.388 nan 8.210 nan 0.000 0.427 267 T N 1.100 115.789 114.554 0.225 0.000 2.812 267 T HA 0.363 4.712 4.350 -0.001 0.000 0.282 267 T C 0.217 175.065 174.700 0.247 0.000 0.990 267 T CA -0.587 61.635 62.100 0.203 0.000 0.960 267 T CB 1.316 70.275 68.868 0.152 0.000 0.948 267 T HN 0.796 nan 8.240 nan 0.000 0.438 268 T N 0.429 115.118 114.554 0.226 0.000 4.313 268 T HA 0.120 4.469 4.350 -0.001 0.000 0.272 268 T C 0.660 175.520 174.700 0.265 0.000 1.298 268 T CA -0.567 61.675 62.100 0.236 0.000 1.124 268 T CB -0.282 68.529 68.868 -0.095 0.000 1.352 268 T HN 0.487 nan 8.240 nan 0.000 1.013 269 D N 0.760 121.279 120.400 0.199 0.000 2.120 269 D HA -0.059 4.580 4.640 -0.001 0.000 0.202 269 D C 1.117 177.486 176.300 0.115 0.000 0.972 269 D CA 0.649 54.715 54.000 0.109 0.000 0.837 269 D CB 0.115 40.920 40.800 0.008 0.000 0.989 269 D HN 0.479 nan 8.370 nan 0.000 0.469 270 Q N 1.538 121.351 119.800 0.022 0.000 2.523 270 Q HA -0.050 4.289 4.340 -0.001 0.000 0.283 270 Q C 0.460 176.504 176.000 0.073 0.000 1.140 270 Q CA -0.028 55.733 55.803 -0.070 0.000 0.981 270 Q CB -0.062 28.413 28.738 -0.438 0.000 1.310 270 Q HN 0.131 nan 8.270 nan 0.000 0.483 271 N N 2.429 121.165 118.700 0.060 0.000 2.236 271 N HA -0.083 4.656 4.740 -0.001 0.000 0.274 271 N C -1.994 173.536 175.510 0.033 0.000 1.339 271 N CA -0.678 52.412 53.050 0.067 0.000 0.845 271 N CB 0.458 38.975 38.487 0.051 0.000 1.091 271 N HN 0.187 nan 8.380 nan 0.000 0.489 272 P HA 0.078 nan 4.420 nan 0.000 0.245 272 P C 0.157 177.524 177.300 0.110 0.000 1.212 272 P CA 0.454 63.691 63.100 0.228 0.000 0.774 272 P CB 0.236 32.103 31.700 0.278 0.000 0.999 273 S N -0.624 115.086 115.700 0.016 0.000 2.631 273 S HA 0.065 4.535 4.470 -0.001 0.000 0.217 273 S C 0.605 175.148 174.600 -0.095 0.000 0.958 273 S CA -0.060 58.131 58.200 -0.016 0.000 0.920 273 S CB -0.429 62.762 63.200 -0.016 0.000 0.776 273 S HN 0.387 nan 8.310 nan 0.000 0.517 274 E N 0.421 120.500 120.200 -0.201 0.000 2.433 274 E HA 0.406 4.755 4.350 -0.001 0.000 0.278 274 E C -1.639 174.618 176.600 -0.570 0.000 0.976 274 E CA -1.119 55.060 56.400 -0.369 0.000 0.793 274 E CB 0.768 30.196 29.700 -0.454 0.000 1.311 274 E HN -0.121 nan 8.360 nan 0.000 0.460 275 N N 0.201 118.551 118.700 -0.584 0.000 2.492 275 N HA 0.389 5.129 4.740 -0.001 0.000 0.289 275 N C -1.340 173.641 175.510 -0.882 0.000 1.133 275 N CA -0.163 52.573 53.050 -0.524 0.000 0.961 275 N CB 0.762 39.028 38.487 -0.368 0.000 1.186 275 N HN 0.374 nan 8.380 nan 0.000 0.493 276 Y N -0.809 119.328 120.300 -0.272 0.000 2.499 276 Y HA 0.352 4.902 4.550 -0.001 0.000 0.347 276 Y C -0.402 175.324 175.900 -0.291 0.000 0.987 276 Y CA -0.877 57.076 58.100 -0.245 0.000 1.044 276 Y CB 1.250 39.664 38.460 -0.075 0.000 1.245 276 Y HN 0.414 nan 8.280 nan 0.000 0.461 277 W N 2.072 123.391 121.300 0.032 0.000 2.287 277 W HA 0.554 5.213 4.660 -0.002 0.000 0.313 277 W C -0.835 175.623 176.519 -0.101 0.000 1.267 277 W CA -0.545 56.764 57.345 -0.060 0.000 1.201 277 W CB 0.818 30.216 29.460 -0.103 0.000 1.196 277 W HN 0.084 nan 8.180 nan 0.000 0.536 278 V N 3.663 123.671 119.914 0.156 0.000 2.398 278 V HA 0.412 4.531 4.120 -0.001 0.000 0.286 278 V C -0.115 175.942 176.094 -0.062 0.000 1.026 278 V CA -0.636 61.629 62.300 -0.059 0.000 0.868 278 V CB 1.311 33.073 31.823 -0.101 0.000 0.982 278 V HN 0.501 nan 8.190 nan 0.000 0.443 279 S N 3.525 119.110 115.700 -0.193 0.000 2.521 279 S HA 0.754 5.224 4.470 -0.001 0.000 0.295 279 S C -0.969 173.517 174.600 -0.190 0.000 1.098 279 S CA -0.442 57.657 58.200 -0.169 0.000 0.999 279 S CB 1.735 64.827 63.200 -0.180 0.000 1.034 279 S HN 0.449 nan 8.310 nan 0.000 0.483 280 V N 4.178 124.031 119.914 -0.101 0.000 2.357 280 V HA 0.668 4.787 4.120 -0.001 0.000 0.281 280 V C 0.632 176.679 176.094 -0.078 0.000 1.015 280 V CA -0.364 61.908 62.300 -0.047 0.000 0.827 280 V CB 1.074 32.918 31.823 0.035 0.000 1.018 280 V HN 0.914 nan 8.190 nan 0.000 0.432 281 G N 2.456 111.201 108.800 -0.092 0.000 2.537 281 G HA2 0.607 4.566 3.960 -0.001 0.000 0.323 281 G HA3 0.607 4.566 3.960 -0.001 0.000 0.323 281 G C -0.332 174.517 174.900 -0.085 0.000 1.207 281 G CA -0.529 44.515 45.100 -0.094 0.000 0.976 281 G HN 0.461 nan 8.290 nan 0.000 0.487 282 T N 1.418 115.923 114.554 -0.082 0.000 2.884 282 T HA 0.469 4.818 4.350 -0.001 0.000 0.298 282 T C 0.284 174.971 174.700 -0.021 0.000 0.998 282 T CA 0.020 62.080 62.100 -0.068 0.000 1.124 282 T CB 0.770 69.581 68.868 -0.096 0.000 0.931 282 T HN 0.336 nan 8.240 nan 0.000 0.531 283 R N 0.825 121.330 120.500 0.009 0.000 2.905 283 R HA 0.687 5.027 4.340 -0.001 0.000 0.260 283 R C 0.727 177.141 176.300 0.190 0.000 1.086 283 R CA -0.365 55.791 56.100 0.095 0.000 0.978 283 R CB 1.195 31.505 30.300 0.017 0.000 1.215 283 R HN 0.713 nan 8.270 nan 0.000 0.480 284 A N 0.190 123.210 122.820 0.334 0.000 3.930 284 A HA -0.273 4.047 4.320 -0.001 0.000 0.267 284 A C 0.130 178.058 177.584 0.574 0.000 0.971 284 A CA 1.965 54.318 52.037 0.527 0.000 1.197 284 A CB -0.878 18.432 19.000 0.516 0.000 1.073 284 A HN 0.636 nan 8.150 nan 0.000 0.871 285 R N -1.271 119.376 120.500 0.244 0.000 2.771 285 R HA 0.479 4.818 4.340 -0.001 0.000 0.274 285 R C -0.214 175.606 176.300 -0.800 0.000 0.987 285 R CA -0.560 55.442 56.100 -0.163 0.000 0.908 285 R CB 1.066 31.340 30.300 -0.045 0.000 1.213 285 R HN 0.540 nan 8.270 nan 0.000 0.468 286 H N 3.693 121.904 119.070 -1.431 0.000 3.082 286 H HA 0.125 4.680 4.556 -0.001 0.000 0.275 286 H C -2.154 172.810 175.328 -0.606 0.000 1.032 286 H CA -1.340 53.844 56.048 -1.441 0.000 1.477 286 H CB 0.697 29.892 29.762 -0.945 0.000 1.520 286 H HN 0.180 nan 8.280 nan 0.000 0.521 287 P HA 0.064 nan 4.420 nan 0.000 0.271 287 P C -0.294 176.705 177.300 -0.502 0.000 1.216 287 P CA -0.113 62.707 63.100 -0.466 0.000 0.771 287 P CB 0.545 32.082 31.700 -0.272 0.000 0.864 288 N N 0.706 119.216 118.700 -0.316 0.000 2.545 288 N HA 0.136 4.875 4.740 -0.001 0.000 0.283 288 N C -1.504 173.906 175.510 -0.168 0.000 1.596 288 N CA -0.161 52.749 53.050 -0.233 0.000 0.862 288 N CB 0.434 38.804 38.487 -0.195 0.000 1.422 288 N HN 0.159 nan 8.380 nan 0.000 0.489 289 T N 0.383 114.836 114.554 -0.169 0.000 2.921 289 T HA 0.525 4.875 4.350 -0.001 0.000 0.297 289 T C -2.734 171.886 174.700 -0.133 0.000 1.013 289 T CA -0.939 61.073 62.100 -0.148 0.000 0.990 289 T CB 2.128 70.896 68.868 -0.167 0.000 1.023 289 T HN -0.050 nan 8.240 nan 0.000 0.447 290 P HA 0.314 nan 4.420 nan 0.000 0.272 290 P C -2.414 174.821 177.300 -0.109 0.000 1.230 290 P CA -1.240 61.790 63.100 -0.116 0.000 0.788 290 P CB -0.229 31.401 31.700 -0.117 0.000 0.949 291 P HA 0.089 nan 4.420 nan 0.000 0.271 291 P C -0.059 177.182 177.300 -0.098 0.000 1.216 291 P CA -0.013 63.018 63.100 -0.116 0.000 0.776 291 P CB 0.552 32.167 31.700 -0.143 0.000 0.881 292 G N 3.218 111.973 108.800 -0.076 0.000 2.358 292 G HA2 0.462 4.421 3.960 -0.001 0.000 0.273 292 G HA3 0.462 4.421 3.960 -0.001 0.000 0.273 292 G C -0.427 174.439 174.900 -0.057 0.000 1.215 292 G CA -0.446 44.624 45.100 -0.051 0.000 0.910 292 G HN 0.419 nan 8.290 nan 0.000 0.467 293 L N 1.620 122.815 121.223 -0.046 0.000 2.354 293 L HA 0.800 5.140 4.340 -0.001 0.000 0.269 293 L C 0.288 177.177 176.870 0.031 0.000 1.005 293 L CA -0.751 54.078 54.840 -0.019 0.000 0.819 293 L CB 2.707 44.724 42.059 -0.069 0.000 1.311 293 L HN 0.604 nan 8.230 nan 0.000 0.423 294 T N 1.343 115.928 114.554 0.052 0.000 2.711 294 T HA 0.602 4.951 4.350 -0.001 0.000 0.302 294 T C -1.726 172.941 174.700 -0.054 0.000 1.373 294 T CA -0.445 61.624 62.100 -0.052 0.000 1.000 294 T CB 1.363 70.052 68.868 -0.298 0.000 1.483 294 T HN 0.351 nan 8.240 nan 0.000 0.499 295 L N 2.253 123.353 121.223 -0.204 0.000 2.334 295 L HA 0.634 4.973 4.340 -0.001 0.000 0.276 295 L C -0.756 175.998 176.870 -0.193 0.000 1.014 295 L CA -1.084 53.609 54.840 -0.246 0.000 0.815 295 L CB 1.736 43.618 42.059 -0.295 0.000 1.268 295 L HN 0.478 nan 8.230 nan 0.000 0.428 296 L N 4.500 125.676 121.223 -0.078 0.000 2.315 296 L HA 0.256 4.596 4.340 -0.001 0.000 0.278 296 L C 0.135 177.063 176.870 0.098 0.000 1.088 296 L CA 0.293 55.175 54.840 0.069 0.000 0.899 296 L CB 0.095 42.221 42.059 0.112 0.000 1.277 296 L HN 0.529 nan 8.230 nan 0.000 0.431 297 N N 3.806 122.518 118.700 0.020 0.000 2.437 297 N HA 0.030 4.770 4.740 -0.001 0.000 0.243 297 N C -1.150 174.467 175.510 0.179 0.000 1.041 297 N CA -0.521 52.559 53.050 0.050 0.000 0.940 297 N CB 0.404 38.844 38.487 -0.078 0.000 1.133 297 N HN 0.391 nan 8.380 nan 0.000 0.506 298 Y N 3.965 124.287 120.300 0.037 0.000 2.637 298 Y HA 0.143 4.692 4.550 -0.000 0.000 0.350 298 Y C 0.570 176.513 175.900 0.072 0.000 1.069 298 Y CA -0.194 57.956 58.100 0.082 0.000 1.397 298 Y CB 0.357 38.891 38.460 0.123 0.000 1.163 298 Y HN 0.346 nan 8.280 nan 0.000 0.527 299 L N 7.192 128.509 121.223 0.157 0.000 2.456 299 L HA 0.142 4.482 4.340 -0.001 0.000 0.272 299 L C -1.362 175.578 176.870 0.117 0.000 1.189 299 L CA -1.351 53.563 54.840 0.123 0.000 0.846 299 L CB 0.487 42.598 42.059 0.088 0.000 1.111 299 L HN 0.483 nan 8.230 nan 0.000 0.475 300 P HA 0.128 nan 4.420 nan 0.000 0.241 300 P C -0.723 176.613 177.300 0.059 0.000 1.783 300 P CA -0.344 62.795 63.100 0.065 0.000 1.052 300 P CB 0.141 31.868 31.700 0.045 0.000 1.594 301 N N 0.451 119.196 118.700 0.074 0.000 2.518 301 N HA 0.042 4.781 4.740 -0.001 0.000 0.266 301 N C 0.243 175.770 175.510 0.028 0.000 1.196 301 N CA 0.221 53.294 53.050 0.038 0.000 0.947 301 N CB 0.811 39.312 38.487 0.023 0.000 1.098 301 N HN 0.072 nan 8.380 nan 0.000 0.450 302 S N 0.379 116.081 115.700 0.002 0.000 2.562 302 S HA 0.020 4.489 4.470 -0.001 0.000 0.281 302 S C 1.407 175.996 174.600 -0.018 0.000 1.333 302 S CA -0.527 57.672 58.200 -0.002 0.000 1.052 302 S CB 0.716 63.908 63.200 -0.013 0.000 0.884 302 S HN 0.370 nan 8.310 nan 0.000 0.506 303 V N 4.523 124.435 119.914 -0.003 0.000 2.970 303 V HA -0.050 4.069 4.120 -0.001 0.000 0.260 303 V C 1.927 177.986 176.094 -0.059 0.000 1.100 303 V CA 2.112 64.392 62.300 -0.033 0.000 1.122 303 V CB -0.490 31.337 31.823 0.007 0.000 0.721 303 V HN 0.991 nan 8.190 nan 0.000 0.483 304 S N -1.022 114.653 115.700 -0.041 0.000 2.603 304 S HA 0.009 4.479 4.470 -0.001 0.000 0.220 304 S C 1.077 175.641 174.600 -0.061 0.000 0.967 304 S CA 0.113 58.288 58.200 -0.042 0.000 0.920 304 S CB -0.246 62.939 63.200 -0.026 0.000 0.773 304 S HN 0.594 nan 8.310 nan 0.000 0.529 305 K N 2.411 122.763 120.400 -0.081 0.000 2.262 305 K HA 0.186 4.506 4.320 -0.001 0.000 0.288 305 K C -0.664 175.846 176.600 -0.150 0.000 1.090 305 K CA -0.568 55.661 56.287 -0.097 0.000 0.918 305 K CB 0.113 32.557 32.500 -0.092 0.000 1.139 305 K HN 0.100 nan 8.250 nan 0.000 0.462 306 L N 5.545 126.699 121.223 -0.116 0.000 2.461 306 L HA 0.216 4.556 4.340 -0.001 0.000 0.272 306 L C -1.793 174.978 176.870 -0.165 0.000 1.197 306 L CA -1.926 52.837 54.840 -0.129 0.000 0.836 306 L CB -0.159 41.932 42.059 0.054 0.000 1.105 306 L HN 0.583 nan 8.230 nan 0.000 0.477 307 P HA 0.029 nan 4.420 nan 0.000 0.269 307 P C 0.640 177.966 177.300 0.044 0.000 1.211 307 P CA 0.222 63.164 63.100 -0.262 0.000 0.781 307 P CB 0.401 31.811 31.700 -0.485 0.000 0.877 308 T N -1.846 112.704 114.554 -0.007 0.000 3.023 308 T HA 0.021 4.370 4.350 -0.001 0.000 0.266 308 T C 0.683 175.479 174.700 0.161 0.000 1.093 308 T CA 0.698 62.849 62.100 0.084 0.000 1.129 308 T CB -0.100 68.773 68.868 0.007 0.000 0.899 308 T HN 0.319 nan 8.240 nan 0.000 0.491 309 S N 2.089 117.844 115.700 0.092 0.000 2.651 309 S HA 0.485 4.954 4.470 -0.001 0.000 0.291 309 S C -2.565 171.846 174.600 -0.315 0.000 1.141 309 S CA -1.413 56.780 58.200 -0.011 0.000 1.027 309 S CB 1.300 64.509 63.200 0.015 0.000 1.043 309 S HN 0.054 nan 8.310 nan 0.000 0.530 310 P HA 0.187 nan 4.420 nan 0.000 0.270 310 P C -2.531 174.394 177.300 -0.626 0.000 1.227 310 P CA -0.920 61.548 63.100 -1.053 0.000 0.788 310 P CB -0.649 30.703 31.700 -0.579 0.000 0.926 311 P HA 0.031 nan 4.420 nan 0.000 0.266 311 P C -2.150 174.983 177.300 -0.278 0.000 1.193 311 P CA -0.541 62.212 63.100 -0.577 0.000 0.770 311 P CB -1.132 30.137 31.700 -0.719 0.000 0.836 312 P HA -0.019 nan 4.420 nan 0.000 0.263 312 P C -0.323 176.891 177.300 -0.144 0.000 1.195 312 P CA 0.282 63.308 63.100 -0.123 0.000 0.762 312 P CB 0.415 32.059 31.700 -0.093 0.000 0.799 313 Q N 1.865 121.592 119.800 -0.122 0.000 2.337 313 Q HA 0.094 4.434 4.340 -0.001 0.000 0.270 313 Q C 0.291 176.234 176.000 -0.096 0.000 1.002 313 Q CA 0.646 56.385 55.803 -0.108 0.000 0.888 313 Q CB 0.167 28.855 28.738 -0.084 0.000 1.222 313 Q HN 0.420 nan 8.270 nan 0.000 0.400 314 T N 4.789 119.289 114.554 -0.091 0.000 2.901 314 T HA 0.198 4.548 4.350 -0.001 0.000 0.301 314 T C -2.030 172.634 174.700 -0.060 0.000 1.012 314 T CA -1.010 61.041 62.100 -0.081 0.000 1.135 314 T CB 0.155 68.979 68.868 -0.073 0.000 0.936 314 T HN 0.352 nan 8.240 nan 0.000 0.539 315 P HA 0.157 nan 4.420 nan 0.000 0.266 315 P C -0.549 176.723 177.300 -0.046 0.000 1.186 315 P CA -0.267 62.795 63.100 -0.063 0.000 0.767 315 P CB 0.235 31.890 31.700 -0.074 0.000 0.820 316 A N 4.123 126.903 122.820 -0.066 0.000 2.546 316 A HA -0.010 4.309 4.320 -0.001 0.000 0.243 316 A C 1.497 179.015 177.584 -0.110 0.000 1.063 316 A CA -0.361 51.633 52.037 -0.071 0.000 0.757 316 A CB -0.427 18.483 19.000 -0.151 0.000 0.991 316 A HN 0.890 nan 8.150 nan 0.000 0.503 317 W N 2.900 124.133 121.300 -0.112 0.000 2.350 317 W HA -0.164 4.495 4.660 -0.001 0.000 0.289 317 W C -0.025 176.289 176.519 -0.341 0.000 1.215 317 W CA 1.414 58.671 57.345 -0.147 0.000 1.236 317 W CB -0.555 28.878 29.460 -0.045 0.000 1.130 317 W HN 0.753 nan 8.180 nan 0.000 0.541 318 D N 0.057 119.793 120.400 -1.106 0.000 2.388 318 D HA -0.029 4.610 4.640 -0.001 0.000 0.221 318 D C -0.190 175.539 176.300 -0.951 0.000 1.133 318 D CA -0.177 52.995 54.000 -1.381 0.000 0.831 318 D CB -0.846 38.952 40.800 -1.670 0.000 0.962 318 D HN -0.096 nan 8.370 nan 0.000 0.502 319 D N 0.308 120.316 120.400 -0.653 0.000 2.619 319 D HA 0.028 4.667 4.640 -0.001 0.000 0.224 319 D C 0.259 176.360 176.300 -0.332 0.000 1.133 319 D CA -0.585 53.189 54.000 -0.376 0.000 1.017 319 D CB -0.567 40.089 40.800 -0.239 0.000 1.077 319 D HN -0.043 nan 8.370 nan 0.000 0.503 320 F N 0.488 120.396 119.950 -0.070 0.000 2.333 320 F HA -0.104 4.422 4.527 -0.001 0.000 0.300 320 F C 2.026 177.700 175.800 -0.209 0.000 1.083 320 F CA 0.575 58.539 58.000 -0.060 0.000 1.395 320 F CB -0.026 38.971 39.000 -0.006 0.000 1.056 320 F HN 0.238 nan 8.300 nan 0.000 0.529 321 D N -0.192 120.177 120.400 -0.051 0.000 2.117 321 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 321 D C 2.387 178.588 176.300 -0.166 0.000 0.982 321 D CA 0.854 54.766 54.000 -0.147 0.000 0.828 321 D CB -0.357 40.383 40.800 -0.100 0.000 0.967 321 D HN 0.244 nan 8.370 nan 0.000 0.464 322 R N 0.830 121.264 120.500 -0.110 0.000 2.075 322 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 322 R C 2.245 178.526 176.300 -0.031 0.000 1.126 322 R CA 1.236 57.292 56.100 -0.073 0.000 0.963 322 R CB 0.068 30.327 30.300 -0.068 0.000 0.858 322 R HN -0.004 nan 8.270 nan 0.000 0.435 323 S N 0.998 116.696 115.700 -0.002 0.000 2.353 323 S HA -0.154 4.315 4.470 -0.001 0.000 0.222 323 S C 1.720 176.329 174.600 0.015 0.000 1.035 323 S CA 1.594 59.886 58.200 0.154 0.000 1.025 323 S CB -0.168 63.262 63.200 0.383 0.000 0.902 323 S HN 0.389 nan 8.310 nan 0.000 0.440 324 K N 1.253 121.388 120.400 -0.443 0.000 2.097 324 K HA -0.105 4.214 4.320 -0.001 0.000 0.206 324 K C 2.085 178.244 176.600 -0.735 0.000 1.049 324 K CA 1.368 57.064 56.287 -0.985 0.000 0.933 324 K CB -0.293 31.362 32.500 -1.408 0.000 0.717 324 K HN 0.325 nan 8.250 nan 0.000 0.442 325 N N 0.519 118.983 118.700 -0.393 0.000 2.094 325 N HA -0.224 4.515 4.740 -0.001 0.000 0.191 325 N C 1.599 177.067 175.510 -0.069 0.000 1.023 325 N CA 1.280 54.209 53.050 -0.201 0.000 0.857 325 N CB -0.124 38.300 38.487 -0.105 0.000 1.013 325 N HN 0.184 nan 8.380 nan 0.000 0.426 326 F N 0.528 120.431 119.950 -0.079 0.000 2.118 326 F HA 0.028 4.554 4.527 -0.001 0.000 0.293 326 F C 2.262 178.103 175.800 0.068 0.000 1.102 326 F CA 1.428 59.439 58.000 0.019 0.000 1.247 326 F CB -0.994 38.058 39.000 0.086 0.000 1.017 326 F HN -0.053 nan 8.300 nan 0.000 0.475 327 T N 0.099 114.657 114.554 0.007 0.000 2.699 327 T HA -0.245 4.104 4.350 -0.001 0.000 0.268 327 T C 1.641 176.357 174.700 0.027 0.000 1.036 327 T CA 1.888 64.010 62.100 0.037 0.000 1.147 327 T CB -0.628 68.446 68.868 0.342 0.000 0.862 327 T HN 0.287 nan 8.240 nan 0.000 0.446 328 Y N 1.512 121.668 120.300 -0.240 0.000 2.571 328 Y HA 0.115 4.665 4.550 -0.001 0.000 0.294 328 Y C 2.357 178.155 175.900 -0.171 0.000 1.141 328 Y CA -0.318 57.673 58.100 -0.181 0.000 1.308 328 Y CB -0.539 37.816 38.460 -0.174 0.000 1.002 328 Y HN 0.194 nan 8.280 nan 0.000 0.551 329 R N 0.042 120.436 120.500 -0.178 0.000 2.090 329 R HA 0.001 4.340 4.340 -0.001 0.000 0.228 329 R C 0.508 176.637 176.300 -0.284 0.000 1.110 329 R CA 0.360 56.246 56.100 -0.358 0.000 0.973 329 R CB -0.442 29.356 30.300 -0.836 0.000 0.869 329 R HN 0.211 nan 8.270 nan 0.000 0.440 330 I N 2.607 123.068 120.570 -0.181 0.000 2.742 330 I HA -0.102 4.068 4.170 -0.001 0.000 0.287 330 I C 0.426 176.605 176.117 0.104 0.000 1.186 330 I CA 0.825 62.162 61.300 0.063 0.000 1.417 330 I CB 0.316 38.406 38.000 0.150 0.000 1.377 330 I HN 0.189 nan 8.210 nan 0.000 0.556 331 T N 2.907 117.542 114.554 0.135 0.000 2.896 331 T HA 0.767 5.116 4.350 -0.001 0.000 0.297 331 T C -0.287 174.511 174.700 0.163 0.000 1.108 331 T CA -1.060 61.121 62.100 0.135 0.000 1.004 331 T CB 1.613 70.540 68.868 0.099 0.000 1.159 331 T HN 0.613 nan 8.240 nan 0.000 0.499 332 A N 1.102 124.022 122.820 0.166 0.000 2.425 332 A HA 0.711 5.031 4.320 -0.001 0.000 0.242 332 A C 0.867 178.551 177.584 0.167 0.000 1.077 332 A CA -0.244 51.899 52.037 0.176 0.000 0.781 332 A CB -0.585 18.534 19.000 0.198 0.000 1.020 332 A HN 1.525 nan 8.150 nan 0.000 0.494 333 A N 2.170 125.100 122.820 0.183 0.000 2.407 333 A HA 0.498 4.817 4.320 -0.001 0.000 0.248 333 A C 0.709 178.372 177.584 0.132 0.000 1.082 333 A CA 0.096 52.231 52.037 0.163 0.000 0.785 333 A CB -0.259 18.854 19.000 0.188 0.000 1.020 333 A HN 1.423 nan 8.150 nan 0.000 0.489 334 M N 1.663 121.324 119.600 0.102 0.000 2.249 334 M HA 0.470 4.949 4.480 -0.001 0.000 0.340 334 M C 0.830 177.177 176.300 0.079 0.000 1.166 334 M CA 1.321 56.671 55.300 0.084 0.000 1.115 334 M CB 0.193 32.833 32.600 0.065 0.000 1.606 334 M HN 1.828 nan 8.290 nan 0.000 0.448 335 G N 1.938 110.785 108.800 0.077 0.000 2.232 335 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.226 335 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.226 335 G C 0.130 175.090 174.900 0.100 0.000 0.996 335 G CA 0.137 45.281 45.100 0.073 0.000 0.626 335 G HN 0.864 nan 8.290 nan 0.000 0.509 336 S N 1.995 117.773 115.700 0.130 0.000 2.589 336 S HA 0.489 4.958 4.470 -0.001 0.000 0.265 336 S C -1.881 172.826 174.600 0.179 0.000 1.342 336 S CA -0.388 57.911 58.200 0.166 0.000 1.005 336 S CB 0.792 64.108 63.200 0.194 0.000 0.909 336 S HN 0.308 nan 8.310 nan 0.000 0.555 337 P HA 0.185 nan 4.420 nan 0.000 0.267 337 P C -0.577 176.928 177.300 0.343 0.000 1.205 337 P CA 0.051 63.325 63.100 0.289 0.000 0.765 337 P CB 0.356 32.280 31.700 0.373 0.000 0.828 338 K N 4.584 125.044 120.400 0.100 0.000 2.118 338 K HA 0.346 4.665 4.320 -0.001 0.000 0.267 338 K C -2.078 174.206 176.600 -0.528 0.000 0.991 338 K CA -1.882 54.325 56.287 -0.134 0.000 0.916 338 K CB 0.439 32.881 32.500 -0.097 0.000 1.041 338 K HN 0.405 nan 8.250 nan 0.000 0.455 339 P HA 0.066 nan 4.420 nan 0.000 0.269 339 P C -2.586 174.339 177.300 -0.625 0.000 1.215 339 P CA -1.052 61.206 63.100 -1.402 0.000 0.780 339 P CB -0.446 30.607 31.700 -1.079 0.000 0.898 340 P HA -0.073 nan 4.420 nan 0.000 0.260 340 P C 1.104 178.280 177.300 -0.206 0.000 1.172 340 P CA 0.309 63.266 63.100 -0.240 0.000 0.760 340 P CB 0.106 31.710 31.700 -0.161 0.000 0.773 341 V N 2.905 122.731 119.914 -0.147 0.000 2.809 341 V HA -0.098 4.021 4.120 -0.001 0.000 0.256 341 V C 1.161 177.206 176.094 -0.080 0.000 1.080 341 V CA 1.470 63.705 62.300 -0.108 0.000 1.102 341 V CB -0.723 31.047 31.823 -0.088 0.000 0.705 341 V HN 0.503 nan 8.190 nan 0.000 0.475 342 K N 0.826 121.167 120.400 -0.099 0.000 2.292 342 K HA 0.442 4.762 4.320 -0.001 0.000 0.257 342 K C -0.785 175.749 176.600 -0.109 0.000 0.940 342 K CA -0.762 55.438 56.287 -0.145 0.000 0.811 342 K CB 1.696 34.089 32.500 -0.179 0.000 1.120 342 K HN 0.206 nan 8.250 nan 0.000 0.428 343 F N 1.828 121.706 119.950 -0.121 0.000 2.380 343 F HA 0.410 4.937 4.527 -0.001 0.000 0.321 343 F C 0.261 175.982 175.800 -0.132 0.000 1.103 343 F CA -0.565 57.344 58.000 -0.152 0.000 1.067 343 F CB 0.661 39.554 39.000 -0.178 0.000 1.265 343 F HN 0.540 nan 8.300 nan 0.000 0.517 344 N N -0.523 118.238 118.700 0.102 0.000 2.294 344 N HA 0.159 4.898 4.740 -0.001 0.000 0.186 344 N C -0.573 175.025 175.510 0.146 0.000 1.107 344 N CA -0.274 52.793 53.050 0.028 0.000 0.884 344 N CB 0.380 38.845 38.487 -0.036 0.000 1.030 344 N HN 0.537 nan 8.380 nan 0.000 0.482 345 R N 0.793 121.408 120.500 0.191 0.000 2.584 345 R HA 0.420 4.760 4.340 -0.001 0.000 0.276 345 R C -1.880 174.304 176.300 -0.194 0.000 1.046 345 R CA -0.733 55.389 56.100 0.036 0.000 0.906 345 R CB 1.324 31.569 30.300 -0.092 0.000 1.215 345 R HN -0.059 nan 8.270 nan 0.000 0.449 346 R N 4.969 125.306 120.500 -0.271 0.000 2.538 346 R HA 0.549 4.889 4.340 -0.001 0.000 0.292 346 R C -1.218 174.798 176.300 -0.474 0.000 1.008 346 R CA -0.520 55.217 56.100 -0.606 0.000 0.896 346 R CB 1.102 30.880 30.300 -0.869 0.000 1.187 346 R HN 0.654 nan 8.270 nan 0.000 0.440 347 I N 4.164 124.384 120.570 -0.583 0.000 2.603 347 I HA 0.437 4.606 4.170 -0.001 0.000 0.300 347 I C -0.983 174.752 176.117 -0.637 0.000 1.017 347 I CA -0.936 60.142 61.300 -0.370 0.000 1.098 347 I CB 1.904 39.783 38.000 -0.201 0.000 1.279 347 I HN 0.491 nan 8.210 nan 0.000 0.437 348 F N 5.636 125.577 119.950 -0.015 0.000 2.449 348 F HA 0.538 5.065 4.527 -0.001 0.000 0.342 348 F C -0.420 175.476 175.800 0.160 0.000 1.127 348 F CA -0.525 57.513 58.000 0.063 0.000 0.975 348 F CB 1.345 40.403 39.000 0.098 0.000 1.146 348 F HN 0.060 nan 8.300 nan 0.000 0.444 349 L N 5.328 126.643 121.223 0.154 0.000 2.342 349 L HA 0.447 4.786 4.340 -0.001 0.000 0.276 349 L C -0.938 175.854 176.870 -0.129 0.000 0.997 349 L CA -0.888 53.964 54.840 0.020 0.000 0.838 349 L CB 1.706 43.674 42.059 -0.151 0.000 1.224 349 L HN 0.455 nan 8.230 nan 0.000 0.416 350 L N 4.630 125.696 121.223 -0.262 0.000 2.281 350 L HA 0.313 4.652 4.340 -0.001 0.000 0.285 350 L C -0.015 176.696 176.870 -0.265 0.000 1.074 350 L CA 0.305 54.812 54.840 -0.555 0.000 0.817 350 L CB 0.535 41.952 42.059 -1.070 0.000 1.168 350 L HN 0.493 nan 8.230 nan 0.000 0.434 351 N N 4.127 122.724 118.700 -0.171 0.000 2.437 351 N HA 0.293 5.032 4.740 -0.001 0.000 0.243 351 N C -0.764 174.777 175.510 0.053 0.000 1.041 351 N CA -0.194 52.859 53.050 0.006 0.000 0.940 351 N CB 0.820 39.338 38.487 0.051 0.000 1.133 351 N HN 0.713 nan 8.380 nan 0.000 0.506 352 T N -0.894 113.700 114.554 0.066 0.000 2.932 352 T HA 0.290 4.640 4.350 -0.001 0.000 0.289 352 T C -0.386 174.220 174.700 -0.157 0.000 1.039 352 T CA -0.908 61.194 62.100 0.004 0.000 1.024 352 T CB 2.564 71.400 68.868 -0.054 0.000 1.090 352 T HN 0.310 nan 8.240 nan 0.000 0.496 353 Q N 1.158 120.669 119.800 -0.482 0.000 2.325 353 Q HA 0.449 4.788 4.340 -0.001 0.000 0.262 353 Q C -1.128 174.584 176.000 -0.479 0.000 0.968 353 Q CA -0.534 54.662 55.803 -1.012 0.000 0.877 353 Q CB 0.786 28.711 28.738 -1.354 0.000 1.253 353 Q HN 0.757 nan 8.270 nan 0.000 0.448 354 N N 0.949 119.423 118.700 -0.376 0.000 2.701 354 N HA 0.605 5.345 4.740 -0.001 0.000 0.290 354 N C -1.719 173.708 175.510 -0.139 0.000 1.338 354 N CA -0.636 52.306 53.050 -0.180 0.000 0.799 354 N CB 2.128 40.560 38.487 -0.092 0.000 1.491 354 N HN 0.223 nan 8.380 nan 0.000 0.540 355 V N 1.469 121.341 119.914 -0.070 0.000 2.409 355 V HA 0.445 4.565 4.120 -0.001 0.000 0.290 355 V C -0.904 175.190 176.094 -0.000 0.000 1.017 355 V CA -0.448 61.830 62.300 -0.038 0.000 0.841 355 V CB 0.741 32.535 31.823 -0.048 0.000 1.003 355 V HN 0.494 nan 8.190 nan 0.000 0.426 356 I N 4.154 124.751 120.570 0.046 0.000 2.355 356 I HA 0.392 4.561 4.170 -0.001 0.000 0.288 356 I C 0.802 176.997 176.117 0.129 0.000 0.999 356 I CA -0.483 60.862 61.300 0.074 0.000 1.163 356 I CB 1.177 39.225 38.000 0.082 0.000 1.316 356 I HN 0.852 nan 8.210 nan 0.000 0.454 357 N N 4.929 123.676 118.700 0.079 0.000 2.727 357 N HA -0.230 4.509 4.740 -0.001 0.000 0.249 357 N C 0.975 176.436 175.510 -0.082 0.000 1.048 357 N CA 0.679 53.770 53.050 0.068 0.000 0.714 357 N CB -0.397 38.200 38.487 0.184 0.000 0.959 357 N HN 1.169 nan 8.380 nan 0.000 0.544 358 G N -1.959 106.760 108.800 -0.135 0.000 2.205 358 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.261 358 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.261 358 G C -0.236 174.426 174.900 -0.398 0.000 0.980 358 G CA 0.657 45.587 45.100 -0.284 0.000 0.632 358 G HN 0.494 nan 8.290 nan 0.000 0.533 359 Y N 0.336 120.635 120.300 -0.001 0.000 2.326 359 Y HA 0.522 5.071 4.550 -0.001 0.000 0.337 359 Y C 0.883 176.774 175.900 -0.015 0.000 1.023 359 Y CA -0.904 57.199 58.100 0.004 0.000 1.143 359 Y CB 1.696 40.163 38.460 0.012 0.000 1.183 359 Y HN 0.037 nan 8.280 nan 0.000 0.485 360 V N 5.998 125.982 119.914 0.117 0.000 2.421 360 V HA 0.093 4.212 4.120 -0.001 0.000 0.271 360 V C 0.145 176.257 176.094 0.030 0.000 1.031 360 V CA -0.139 62.170 62.300 0.016 0.000 1.032 360 V CB -0.353 31.467 31.823 -0.005 0.000 1.009 360 V HN 0.595 nan 8.190 nan 0.000 0.477 361 K N 3.408 123.780 120.400 -0.046 0.000 2.352 361 K HA 0.511 4.830 4.320 -0.001 0.000 0.240 361 K C -1.026 175.474 176.600 -0.167 0.000 1.017 361 K CA -0.669 55.611 56.287 -0.012 0.000 0.851 361 K CB 2.224 34.744 32.500 0.034 0.000 1.261 361 K HN 0.531 nan 8.250 nan 0.000 0.451 362 W N 0.026 121.320 121.300 -0.010 0.000 2.578 362 W HA 0.616 5.276 4.660 -0.001 0.000 0.346 362 W C -0.332 176.175 176.519 -0.020 0.000 1.075 362 W CA -0.275 57.039 57.345 -0.050 0.000 1.233 362 W CB 1.906 31.305 29.460 -0.101 0.000 1.358 362 W HN 0.606 nan 8.180 nan 0.000 0.574 363 A N 3.305 126.242 122.820 0.196 0.000 2.549 363 A HA 0.785 5.104 4.320 -0.001 0.000 0.297 363 A C -1.798 175.866 177.584 0.133 0.000 1.061 363 A CA -0.653 51.463 52.037 0.131 0.000 0.690 363 A CB 1.143 20.179 19.000 0.061 0.000 1.287 363 A HN 0.402 nan 8.150 nan 0.000 0.402 364 I N 2.477 123.129 120.570 0.136 0.000 2.382 364 I HA 0.310 4.479 4.170 -0.001 0.000 0.285 364 I C -0.235 175.950 176.117 0.113 0.000 1.007 364 I CA -0.443 60.933 61.300 0.126 0.000 1.142 364 I CB 0.636 38.757 38.000 0.202 0.000 1.289 364 I HN 0.729 nan 8.210 nan 0.000 0.453 365 N N 4.818 123.549 118.700 0.051 0.000 2.725 365 N HA -0.229 4.511 4.740 -0.001 0.000 0.251 365 N C 0.317 175.876 175.510 0.082 0.000 1.031 365 N CA 1.086 54.183 53.050 0.079 0.000 0.720 365 N CB -0.839 37.756 38.487 0.179 0.000 0.930 365 N HN 0.662 nan 8.380 nan 0.000 0.543 366 D N -3.021 117.408 120.400 0.048 0.000 3.059 366 D HA -0.178 4.462 4.640 -0.001 0.000 0.213 366 D C -0.509 175.831 176.300 0.067 0.000 1.144 366 D CA 1.282 55.314 54.000 0.054 0.000 0.975 366 D CB -0.793 40.044 40.800 0.063 0.000 1.125 366 D HN 0.362 nan 8.370 nan 0.000 0.412 367 V N 0.533 120.498 119.914 0.084 0.000 2.394 367 V HA 0.455 4.574 4.120 -0.001 0.000 0.282 367 V C 0.474 176.625 176.094 0.095 0.000 1.031 367 V CA -0.514 61.836 62.300 0.084 0.000 0.881 367 V CB 1.911 33.787 31.823 0.088 0.000 0.982 367 V HN 0.135 nan 8.190 nan 0.000 0.451 368 S N 5.227 120.975 115.700 0.081 0.000 2.422 368 S HA 0.480 4.950 4.470 -0.001 0.000 0.298 368 S C -0.562 174.084 174.600 0.076 0.000 1.118 368 S CA -0.597 57.654 58.200 0.085 0.000 1.083 368 S CB 0.506 63.745 63.200 0.065 0.000 0.971 368 S HN 0.591 nan 8.310 nan 0.000 0.478 369 L N 5.641 126.915 121.223 0.086 0.000 2.455 369 L HA 0.538 4.877 4.340 -0.001 0.000 0.272 369 L C 0.024 176.920 176.870 0.043 0.000 1.174 369 L CA 0.615 55.503 54.840 0.080 0.000 0.869 369 L CB 0.460 42.573 42.059 0.091 0.000 1.130 369 L HN 0.753 nan 8.230 nan 0.000 0.474 370 A N 6.568 129.414 122.820 0.043 0.000 2.332 370 A HA 0.598 4.917 4.320 -0.001 0.000 0.300 370 A C -0.849 176.747 177.584 0.020 0.000 1.153 370 A CA -0.660 51.380 52.037 0.005 0.000 0.764 370 A CB 0.571 19.566 19.000 -0.009 0.000 1.174 370 A HN 0.687 nan 8.150 nan 0.000 0.467 371 L N 4.368 125.587 121.223 -0.007 0.000 2.380 371 L HA 0.344 4.684 4.340 -0.001 0.000 0.273 371 L C -1.437 175.378 176.870 -0.091 0.000 1.138 371 L CA -1.428 53.391 54.840 -0.036 0.000 0.832 371 L CB 0.679 42.712 42.059 -0.044 0.000 1.124 371 L HN 0.574 nan 8.230 nan 0.000 0.454 372 P HA 0.139 nan 4.420 nan 0.000 0.272 372 P C -2.240 174.973 177.300 -0.145 0.000 1.230 372 P CA -1.321 61.691 63.100 -0.147 0.000 0.788 372 P CB 0.294 31.883 31.700 -0.185 0.000 0.949 373 P HA -0.042 nan 4.420 nan 0.000 0.226 373 P C 0.199 177.455 177.300 -0.072 0.000 1.153 373 P CA 0.863 63.923 63.100 -0.068 0.000 0.777 373 P CB -0.024 31.654 31.700 -0.037 0.000 0.794 374 T N 4.125 118.625 114.554 -0.090 0.000 2.780 374 T HA 0.264 4.614 4.350 -0.001 0.000 0.294 374 T C -2.418 172.193 174.700 -0.147 0.000 0.949 374 T CA -1.419 60.639 62.100 -0.070 0.000 1.074 374 T CB 0.804 69.665 68.868 -0.013 0.000 0.910 374 T HN 0.084 nan 8.240 nan 0.000 0.501 375 P HA 0.005 nan 4.420 nan 0.000 0.262 375 P C 0.123 177.383 177.300 -0.068 0.000 1.199 375 P CA -0.080 62.969 63.100 -0.084 0.000 0.763 375 P CB 0.514 32.217 31.700 0.005 0.000 0.790 376 Y N 2.898 123.123 120.300 -0.125 0.000 2.193 376 Y HA -0.212 4.338 4.550 -0.001 0.000 0.285 376 Y C 2.393 178.208 175.900 -0.142 0.000 1.166 376 Y CA 1.410 59.364 58.100 -0.244 0.000 1.181 376 Y CB -1.016 37.231 38.460 -0.354 0.000 0.976 376 Y HN 0.238 nan 8.280 nan 0.000 0.520 377 L N -0.175 121.088 121.223 0.067 0.000 2.056 377 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 377 L C 2.426 179.342 176.870 0.078 0.000 1.078 377 L CA 2.154 57.013 54.840 0.032 0.000 0.749 377 L CB -1.172 40.898 42.059 0.018 0.000 0.901 377 L HN 0.184 nan 8.230 nan 0.000 0.433 378 G N -1.164 107.711 108.800 0.123 0.000 2.404 378 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 378 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 378 G C 1.620 176.672 174.900 0.253 0.000 1.174 378 G CA 0.808 46.038 45.100 0.216 0.000 0.780 378 G HN 0.615 nan 8.290 nan 0.000 0.537 379 A N 0.629 123.567 122.820 0.196 0.000 1.883 379 A HA -0.046 4.274 4.320 -0.001 0.000 0.217 379 A C 2.475 180.219 177.584 0.267 0.000 1.186 379 A CA 2.020 54.208 52.037 0.251 0.000 0.624 379 A CB -0.384 18.798 19.000 0.303 0.000 0.822 379 A HN 0.392 nan 8.150 nan 0.000 0.444 380 M N -1.355 118.376 119.600 0.219 0.000 2.254 380 M HA -0.078 4.401 4.480 -0.001 0.000 0.265 380 M C 2.253 178.584 176.300 0.052 0.000 1.066 380 M CA 1.612 57.016 55.300 0.173 0.000 1.123 380 M CB -0.185 32.490 32.600 0.126 0.000 1.388 380 M HN 0.475 nan 8.290 nan 0.000 0.425 381 K N 0.030 120.409 120.400 -0.036 0.000 2.057 381 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 381 K C 1.137 177.507 176.600 -0.383 0.000 1.050 381 K CA 1.417 57.556 56.287 -0.247 0.000 0.935 381 K CB 0.086 32.334 32.500 -0.420 0.000 0.715 381 K HN 0.244 nan 8.250 nan 0.000 0.439 382 Y N 0.569 120.900 120.300 0.052 0.000 2.490 382 Y HA 0.101 4.650 4.550 -0.001 0.000 0.281 382 Y C 0.244 176.160 175.900 0.027 0.000 1.174 382 Y CA 0.266 58.386 58.100 0.035 0.000 1.295 382 Y CB -0.366 38.113 38.460 0.031 0.000 1.062 382 Y HN 0.247 nan 8.280 nan 0.000 0.522 383 N N 0.431 119.195 118.700 0.106 0.000 2.740 383 N HA -0.210 4.529 4.740 -0.001 0.000 0.248 383 N C -1.368 174.158 175.510 0.027 0.000 1.062 383 N CA 0.076 53.163 53.050 0.062 0.000 0.704 383 N CB -1.148 37.357 38.487 0.029 0.000 0.968 383 N HN 0.266 nan 8.380 nan 0.000 0.547 384 L N 1.159 122.421 121.223 0.065 0.000 2.334 384 L HA 0.173 4.512 4.340 -0.001 0.000 0.286 384 L C 1.511 178.314 176.870 -0.110 0.000 1.108 384 L CA -0.446 54.383 54.840 -0.018 0.000 0.875 384 L CB 0.400 42.501 42.059 0.069 0.000 1.246 384 L HN 0.323 nan 8.230 nan 0.000 0.439 385 L N 2.448 123.494 121.223 -0.295 0.000 2.478 385 L HA -0.072 4.268 4.340 -0.001 0.000 0.223 385 L C 1.619 178.306 176.870 -0.305 0.000 1.140 385 L CA 0.427 55.061 54.840 -0.343 0.000 0.842 385 L CB -0.412 41.468 42.059 -0.299 0.000 0.953 385 L HN 0.704 nan 8.230 nan 0.000 0.452 386 H N -0.762 118.257 119.070 -0.084 0.000 2.529 386 H HA 0.289 4.844 4.556 -0.001 0.000 0.277 386 H C 1.889 177.198 175.328 -0.032 0.000 1.004 386 H CA 0.452 56.461 56.048 -0.066 0.000 1.167 386 H CB 0.218 29.963 29.762 -0.028 0.000 1.445 386 H HN 0.230 nan 8.280 nan 0.000 0.554 387 A N 0.499 123.354 122.820 0.058 0.000 2.123 387 A HA 0.237 4.557 4.320 -0.001 0.000 0.214 387 A C 0.390 178.157 177.584 0.305 0.000 1.152 387 A CA 0.399 52.547 52.037 0.185 0.000 0.728 387 A CB -0.226 18.937 19.000 0.272 0.000 0.814 387 A HN 0.276 nan 8.150 nan 0.000 0.464 388 F N -3.420 116.571 119.950 0.069 0.000 2.985 388 F HA 0.621 5.147 4.527 -0.001 0.000 0.322 388 F C -1.265 174.591 175.800 0.092 0.000 1.187 388 F CA -2.114 55.942 58.000 0.093 0.000 0.910 388 F CB 0.165 39.290 39.000 0.208 0.000 1.411 388 F HN -0.186 nan 8.300 nan 0.000 0.492 389 D N 0.806 121.320 120.400 0.189 0.000 2.312 389 D HA 0.221 4.860 4.640 -0.001 0.000 0.252 389 D C 0.288 176.554 176.300 -0.056 0.000 1.150 389 D CA -0.021 54.000 54.000 0.034 0.000 0.870 389 D CB 1.318 42.175 40.800 0.095 0.000 1.153 389 D HN 0.505 nan 8.370 nan 0.000 0.457 390 Q N 2.030 121.726 119.800 -0.173 0.000 2.392 390 Q HA 0.071 4.410 4.340 -0.001 0.000 0.203 390 Q C -0.223 175.744 176.000 -0.055 0.000 0.917 390 Q CA 0.074 55.778 55.803 -0.164 0.000 0.939 390 Q CB -0.092 28.523 28.738 -0.206 0.000 1.063 390 Q HN 0.437 nan 8.270 nan 0.000 0.516 391 N N 3.524 122.205 118.700 -0.032 0.000 2.492 391 N HA 0.086 4.825 4.740 -0.001 0.000 0.262 391 N C -2.301 173.189 175.510 -0.033 0.000 1.202 391 N CA -0.886 52.150 53.050 -0.022 0.000 0.926 391 N CB 0.267 38.747 38.487 -0.012 0.000 1.078 391 N HN 0.070 nan 8.380 nan 0.000 0.454 392 P HA 0.104 nan 4.420 nan 0.000 0.267 392 P C -2.408 174.809 177.300 -0.138 0.000 1.205 392 P CA -0.743 62.301 63.100 -0.093 0.000 0.765 392 P CB -0.062 31.608 31.700 -0.051 0.000 0.828 393 P HA 0.162 nan 4.420 nan 0.000 0.272 393 P C -2.316 174.884 177.300 -0.168 0.000 1.230 393 P CA -1.605 61.300 63.100 -0.324 0.000 0.788 393 P CB -0.987 30.334 31.700 -0.631 0.000 0.949 394 P HA 0.044 nan 4.420 nan 0.000 0.262 394 P C 0.259 177.741 177.300 0.304 0.000 1.199 394 P CA 0.555 63.740 63.100 0.142 0.000 0.763 394 P CB 0.586 32.370 31.700 0.141 0.000 0.790 395 E N 1.133 121.510 120.200 0.295 0.000 2.472 395 E HA 0.097 4.447 4.350 -0.001 0.000 0.196 395 E C 0.649 177.439 176.600 0.316 0.000 1.033 395 E CA 0.193 56.803 56.400 0.350 0.000 0.886 395 E CB 0.542 30.416 29.700 0.290 0.000 0.944 395 E HN 0.396 nan 8.360 nan 0.000 0.492 396 V N -1.608 118.466 119.914 0.268 0.000 3.159 396 V HA 0.616 4.735 4.120 -0.001 0.000 0.308 396 V C -0.747 175.475 176.094 0.214 0.000 1.190 396 V CA -1.374 61.062 62.300 0.226 0.000 1.037 396 V CB 1.266 33.114 31.823 0.041 0.000 1.060 396 V HN 0.063 nan 8.190 nan 0.000 0.437 397 F N -0.336 119.643 119.950 0.049 0.000 2.594 397 F HA 0.999 5.526 4.527 -0.001 0.000 0.335 397 F C -2.530 173.279 175.800 0.015 0.000 1.058 397 F CA -2.850 55.164 58.000 0.023 0.000 0.981 397 F CB 0.633 39.619 39.000 -0.023 0.000 1.289 397 F HN 0.456 nan 8.300 nan 0.000 0.490 398 P HA 0.028 nan 4.420 nan 0.000 0.266 398 P C 0.330 177.677 177.300 0.078 0.000 1.215 398 P CA 0.064 63.229 63.100 0.108 0.000 0.763 398 P CB 0.983 32.798 31.700 0.191 0.000 0.806 399 E N 3.138 123.272 120.200 -0.110 0.000 2.331 399 E HA -0.216 4.133 4.350 -0.001 0.000 0.199 399 E C 0.343 176.970 176.600 0.045 0.000 1.008 399 E CA 1.472 57.808 56.400 -0.107 0.000 0.843 399 E CB -0.897 28.702 29.700 -0.168 0.000 0.761 399 E HN 0.593 nan 8.360 nan 0.000 0.507 400 D N -0.959 119.489 120.400 0.079 0.000 2.328 400 D HA -0.070 4.570 4.640 -0.001 0.000 0.226 400 D C 0.017 176.398 176.300 0.135 0.000 1.066 400 D CA -0.443 53.606 54.000 0.082 0.000 0.861 400 D CB -0.674 40.154 40.800 0.048 0.000 0.912 400 D HN 0.163 nan 8.370 nan 0.000 0.521 401 Y N 1.637 122.021 120.300 0.141 0.000 2.402 401 Y HA 0.178 4.728 4.550 -0.001 0.000 0.333 401 Y C -0.129 175.859 175.900 0.147 0.000 1.076 401 Y CA -0.766 57.434 58.100 0.167 0.000 1.299 401 Y CB 0.662 39.285 38.460 0.272 0.000 1.197 401 Y HN -0.153 nan 8.280 nan 0.000 0.517 402 D N 6.690 126.919 120.400 -0.286 0.000 2.365 402 D HA 0.045 4.684 4.640 -0.001 0.000 0.237 402 D C 0.883 177.155 176.300 -0.046 0.000 1.190 402 D CA -0.227 53.704 54.000 -0.115 0.000 0.867 402 D CB 0.117 40.828 40.800 -0.149 0.000 1.050 402 D HN 0.678 nan 8.370 nan 0.000 0.491 403 I N 0.015 120.740 120.570 0.258 0.000 3.456 403 I HA 0.097 4.266 4.170 -0.001 0.000 0.291 403 I C 0.224 176.531 176.117 0.318 0.000 1.307 403 I CA 0.521 62.058 61.300 0.394 0.000 1.333 403 I CB 0.198 38.437 38.000 0.398 0.000 1.032 403 I HN 0.073 nan 8.210 nan 0.000 0.506 404 D N 0.960 121.454 120.400 0.156 0.000 2.398 404 D HA 0.141 4.780 4.640 -0.001 0.000 0.210 404 D C 0.186 176.538 176.300 0.088 0.000 1.094 404 D CA 0.276 54.332 54.000 0.094 0.000 0.839 404 D CB 0.821 41.589 40.800 -0.053 0.000 0.963 404 D HN 0.298 nan 8.370 nan 0.000 0.506 405 T N 1.770 116.358 114.554 0.056 0.000 2.888 405 T HA 0.351 4.700 4.350 -0.001 0.000 0.284 405 T C -2.557 172.169 174.700 0.043 0.000 1.017 405 T CA -1.521 60.588 62.100 0.014 0.000 1.022 405 T CB 2.412 71.242 68.868 -0.064 0.000 1.013 405 T HN -0.212 nan 8.240 nan 0.000 0.465 406 P HA 0.076 nan 4.420 nan 0.000 0.266 406 P C -2.438 174.877 177.300 0.026 0.000 1.180 406 P CA -0.730 62.390 63.100 0.034 0.000 0.765 406 P CB -0.413 31.294 31.700 0.012 0.000 0.806 407 P HA 0.011 nan 4.420 nan 0.000 0.272 407 P C 0.984 178.303 177.300 0.032 0.000 1.230 407 P CA 0.077 63.230 63.100 0.089 0.000 0.788 407 P CB 0.194 31.964 31.700 0.117 0.000 0.949 408 T N -2.756 111.821 114.554 0.039 0.000 3.035 408 T HA -0.045 4.305 4.350 -0.001 0.000 0.259 408 T C 0.710 175.424 174.700 0.024 0.000 1.078 408 T CA 0.418 62.530 62.100 0.020 0.000 1.132 408 T CB -0.766 68.114 68.868 0.019 0.000 0.900 408 T HN 0.452 nan 8.240 nan 0.000 0.480 409 N N 0.865 119.589 118.700 0.041 0.000 2.878 409 N HA -0.201 4.538 4.740 -0.001 0.000 0.247 409 N C 0.735 176.267 175.510 0.036 0.000 1.021 409 N CA 1.078 54.148 53.050 0.033 0.000 0.873 409 N CB -1.423 37.070 38.487 0.010 0.000 1.128 409 N HN 0.769 nan 8.380 nan 0.000 0.571 410 E N 0.948 121.173 120.200 0.042 0.000 2.065 410 E HA -0.166 4.183 4.350 -0.001 0.000 0.201 410 E C 0.771 177.396 176.600 0.041 0.000 1.016 410 E CA 1.471 57.894 56.400 0.038 0.000 0.818 410 E CB 0.049 29.775 29.700 0.042 0.000 0.749 410 E HN 0.446 nan 8.360 nan 0.000 0.453 411 K N 0.134 120.566 120.400 0.052 0.000 2.414 411 K HA 0.138 4.457 4.320 -0.001 0.000 0.204 411 K C -0.421 176.210 176.600 0.053 0.000 1.026 411 K CA -0.094 56.225 56.287 0.052 0.000 1.108 411 K CB 1.205 33.741 32.500 0.060 0.000 0.855 411 K HN -0.010 nan 8.250 nan 0.000 0.517 412 T N 3.619 118.203 114.554 0.050 0.000 2.834 412 T HA 0.107 4.456 4.350 -0.001 0.000 0.298 412 T C 0.309 175.036 174.700 0.045 0.000 0.966 412 T CA -0.193 61.934 62.100 0.047 0.000 1.141 412 T CB 0.532 69.422 68.868 0.036 0.000 0.905 412 T HN 0.276 nan 8.240 nan 0.000 0.535 413 R N 2.610 123.139 120.500 0.048 0.000 2.905 413 R HA 0.620 4.960 4.340 -0.001 0.000 0.260 413 R C -1.219 175.110 176.300 0.048 0.000 1.086 413 R CA -1.021 55.107 56.100 0.046 0.000 0.978 413 R CB 1.158 31.484 30.300 0.044 0.000 1.215 413 R HN 0.510 nan 8.270 nan 0.000 0.480 414 I N -0.156 120.440 120.570 0.044 0.000 2.498 414 I HA 0.621 4.790 4.170 -0.001 0.000 0.301 414 I C 0.264 176.410 176.117 0.049 0.000 0.984 414 I CA -0.295 61.030 61.300 0.042 0.000 1.204 414 I CB 2.027 40.042 38.000 0.025 0.000 1.362 414 I HN 0.934 nan 8.210 nan 0.000 0.471 415 G N 3.154 111.990 108.800 0.060 0.000 2.550 415 G HA2 0.273 4.232 3.960 -0.001 0.000 0.293 415 G HA3 0.273 4.232 3.960 -0.001 0.000 0.293 415 G C -1.184 173.778 174.900 0.103 0.000 1.402 415 G CA -0.612 44.533 45.100 0.075 0.000 0.784 415 G HN 0.733 nan 8.290 nan 0.000 0.482 416 N N -0.496 118.288 118.700 0.140 0.000 2.453 416 N HA 0.201 4.941 4.740 -0.001 0.000 0.267 416 N C 0.477 176.161 175.510 0.289 0.000 1.482 416 N CA -0.312 52.873 53.050 0.224 0.000 0.841 416 N CB 1.328 39.958 38.487 0.239 0.000 1.408 416 N HN 0.789 nan 8.380 nan 0.000 0.490 417 G N 0.544 109.447 108.800 0.172 0.000 2.580 417 G HA2 0.487 4.447 3.960 -0.001 0.000 0.278 417 G HA3 0.487 4.447 3.960 -0.001 0.000 0.278 417 G C -0.597 174.304 174.900 0.002 0.000 1.212 417 G CA -0.230 44.964 45.100 0.156 0.000 0.939 417 G HN 0.056 nan 8.290 nan 0.000 0.513 418 V N 0.020 119.911 119.914 -0.037 0.000 2.735 418 V HA 0.303 4.422 4.120 -0.001 0.000 0.310 418 V C -1.260 174.747 176.094 -0.145 0.000 1.061 418 V CA -0.761 61.461 62.300 -0.131 0.000 0.913 418 V CB 1.811 33.482 31.823 -0.255 0.000 1.005 418 V HN 0.610 nan 8.190 nan 0.000 0.428 419 Y N 3.202 123.465 120.300 -0.062 0.000 2.436 419 Y HA 0.428 4.978 4.550 -0.001 0.000 0.343 419 Y C 0.611 176.148 175.900 -0.605 0.000 1.008 419 Y CA -0.012 57.930 58.100 -0.264 0.000 1.241 419 Y CB 0.573 38.897 38.460 -0.227 0.000 1.153 419 Y HN 0.561 nan 8.280 nan 0.000 0.521 420 Q N 2.812 122.366 119.800 -0.411 0.000 2.245 420 Q HA 0.553 4.893 4.340 -0.001 0.000 0.256 420 Q C -1.400 174.260 176.000 -0.566 0.000 0.942 420 Q CA -0.628 54.938 55.803 -0.396 0.000 0.896 420 Q CB 1.453 30.113 28.738 -0.129 0.000 1.272 420 Q HN 0.477 nan 8.270 nan 0.000 0.442 421 F N 0.533 120.502 119.950 0.031 0.000 2.546 421 F HA 0.442 4.968 4.527 -0.001 0.000 0.320 421 F C 0.140 175.954 175.800 0.024 0.000 1.076 421 F CA -1.057 56.938 58.000 -0.009 0.000 0.928 421 F CB 1.348 40.317 39.000 -0.052 0.000 1.189 421 F HN 0.207 nan 8.300 nan 0.000 0.465 422 K N 1.975 122.505 120.400 0.217 0.000 2.205 422 K HA 0.355 4.674 4.320 -0.001 0.000 0.279 422 K C -0.414 176.261 176.600 0.126 0.000 1.027 422 K CA -0.828 55.536 56.287 0.130 0.000 0.932 422 K CB 1.074 33.624 32.500 0.083 0.000 1.032 422 K HN 0.655 nan 8.250 nan 0.000 0.466 423 I N 4.045 124.686 120.570 0.117 0.000 2.818 423 I HA -0.032 4.138 4.170 -0.001 0.000 0.285 423 I C 0.847 177.008 176.117 0.074 0.000 1.160 423 I CA 1.566 62.933 61.300 0.113 0.000 1.370 423 I CB -0.315 37.750 38.000 0.108 0.000 1.440 423 I HN 0.943 nan 8.210 nan 0.000 0.555 424 G N 4.645 113.481 108.800 0.059 0.000 2.260 424 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.179 424 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.179 424 G C 0.171 175.060 174.900 -0.019 0.000 1.002 424 G CA -0.317 44.798 45.100 0.027 0.000 0.677 424 G HN 0.550 nan 8.290 nan 0.000 0.486 425 E N 0.518 120.690 120.200 -0.046 0.000 2.413 425 E HA 0.352 4.701 4.350 -0.001 0.000 0.263 425 E C 0.074 176.537 176.600 -0.228 0.000 1.015 425 E CA -0.018 56.311 56.400 -0.119 0.000 0.916 425 E CB 1.751 31.369 29.700 -0.137 0.000 0.947 425 E HN 0.094 nan 8.360 nan 0.000 0.440 426 V N 4.485 124.278 119.914 -0.202 0.000 2.368 426 V HA 0.094 4.213 4.120 -0.001 0.000 0.266 426 V C 0.073 175.935 176.094 -0.386 0.000 1.045 426 V CA -0.419 61.734 62.300 -0.245 0.000 0.899 426 V CB 0.959 32.716 31.823 -0.109 0.000 1.006 426 V HN 0.351 nan 8.190 nan 0.000 0.470 427 V N 4.355 123.801 119.914 -0.780 0.000 2.472 427 V HA 0.456 4.575 4.120 -0.001 0.000 0.290 427 V C -0.084 175.535 176.094 -0.791 0.000 1.037 427 V CA -0.664 61.056 62.300 -0.967 0.000 0.908 427 V CB 1.898 32.672 31.823 -1.747 0.000 0.985 427 V HN 0.768 nan 8.190 nan 0.000 0.454 428 D N 2.222 122.241 120.400 -0.635 0.000 2.278 428 D HA 0.579 5.218 4.640 -0.001 0.000 0.245 428 D C -1.273 174.689 176.300 -0.563 0.000 1.052 428 D CA -0.094 53.556 54.000 -0.584 0.000 0.834 428 D CB 2.553 42.878 40.800 -0.791 0.000 1.194 428 D HN 0.294 nan 8.370 nan 0.000 0.481 429 V N 3.979 123.624 119.914 -0.448 0.000 2.483 429 V HA 0.372 4.491 4.120 -0.001 0.000 0.297 429 V C -0.256 175.580 176.094 -0.431 0.000 1.027 429 V CA -0.716 61.348 62.300 -0.393 0.000 0.855 429 V CB 1.750 33.457 31.823 -0.194 0.000 0.995 429 V HN 0.387 nan 8.190 nan 0.000 0.424 430 I N 5.622 125.874 120.570 -0.530 0.000 2.339 430 I HA 0.421 4.591 4.170 -0.001 0.000 0.290 430 I C -0.224 175.778 176.117 -0.193 0.000 0.994 430 I CA -0.004 61.056 61.300 -0.398 0.000 1.191 430 I CB 1.524 39.131 38.000 -0.655 0.000 1.343 430 I HN 0.414 nan 8.210 nan 0.000 0.458 431 L N 6.192 127.329 121.223 -0.144 0.000 2.264 431 L HA 0.479 4.818 4.340 -0.001 0.000 0.289 431 L C -0.196 176.676 176.870 0.004 0.000 1.044 431 L CA -0.571 54.147 54.840 -0.203 0.000 0.807 431 L CB 1.045 42.857 42.059 -0.413 0.000 1.192 431 L HN 0.492 nan 8.230 nan 0.000 0.425 432 Q N 3.359 123.163 119.800 0.006 0.000 2.333 432 Q HA 0.321 4.661 4.340 -0.001 0.000 0.265 432 Q C -0.716 175.296 176.000 0.020 0.000 0.989 432 Q CA -0.331 55.533 55.803 0.102 0.000 0.842 432 Q CB 1.285 30.062 28.738 0.066 0.000 1.262 432 Q HN 0.447 nan 8.270 nan 0.000 0.451 433 N N 1.842 120.615 118.700 0.123 0.000 2.463 433 N HA 0.816 5.556 4.740 -0.001 0.000 0.270 433 N C -1.403 174.184 175.510 0.129 0.000 1.205 433 N CA 0.243 53.367 53.050 0.123 0.000 0.974 433 N CB 1.375 39.945 38.487 0.139 0.000 1.197 433 N HN 0.715 nan 8.380 nan 0.000 0.504 434 A N 0.951 123.844 122.820 0.121 0.000 2.529 434 A HA 0.425 4.745 4.320 -0.001 0.000 0.296 434 A C -0.856 176.813 177.584 0.143 0.000 1.205 434 A CA -0.724 51.432 52.037 0.198 0.000 0.671 434 A CB 0.353 19.464 19.000 0.185 0.000 1.301 434 A HN 0.731 nan 8.150 nan 0.000 0.450 435 N N -0.381 118.480 118.700 0.268 0.000 2.530 435 N HA 0.533 5.273 4.740 -0.001 0.000 0.277 435 N C 0.327 175.908 175.510 0.119 0.000 1.168 435 N CA -0.082 53.101 53.050 0.221 0.000 0.979 435 N CB 0.363 39.044 38.487 0.324 0.000 1.141 435 N HN 0.585 nan 8.380 nan 0.000 0.459 436 M N 1.573 121.210 119.600 0.061 0.000 2.082 436 M HA 0.194 4.673 4.480 -0.001 0.000 0.218 436 M C 1.328 177.601 176.300 -0.046 0.000 1.175 436 M CA -0.652 54.628 55.300 -0.033 0.000 0.985 436 M CB 0.255 32.841 32.600 -0.024 0.000 1.250 436 M HN 0.525 nan 8.290 nan 0.000 0.547 437 M N 0.294 119.826 119.600 -0.115 0.000 2.175 437 M HA 0.004 4.483 4.480 -0.001 0.000 0.264 437 M C 0.667 176.946 176.300 -0.035 0.000 1.063 437 M CA 1.253 56.505 55.300 -0.080 0.000 1.119 437 M CB -1.033 31.498 32.600 -0.114 0.000 1.377 437 M HN 0.410 nan 8.290 nan 0.000 0.415 438 K N 2.143 122.526 120.400 -0.028 0.000 2.368 438 K HA 0.039 4.359 4.320 -0.001 0.000 0.282 438 K C -0.471 176.153 176.600 0.039 0.000 1.035 438 K CA 0.051 56.340 56.287 0.003 0.000 0.973 438 K CB 0.612 33.116 32.500 0.006 0.000 0.957 438 K HN 0.173 nan 8.250 nan 0.000 0.474 439 E N 3.023 123.249 120.200 0.043 0.000 2.452 439 E HA -0.114 4.235 4.350 -0.001 0.000 0.261 439 E C -0.461 176.198 176.600 0.098 0.000 0.987 439 E CA 0.545 56.983 56.400 0.064 0.000 0.926 439 E CB 0.090 29.818 29.700 0.046 0.000 0.934 439 E HN 0.688 nan 8.360 nan 0.000 0.452 440 N N 0.937 119.724 118.700 0.144 0.000 2.758 440 N HA -0.221 4.519 4.740 -0.001 0.000 0.248 440 N C -1.450 174.209 175.510 0.248 0.000 1.076 440 N CA 0.094 53.269 53.050 0.209 0.000 0.696 440 N CB -0.738 37.832 38.487 0.139 0.000 0.979 440 N HN 0.194 nan 8.380 nan 0.000 0.550 441 L N -0.283 121.073 121.223 0.221 0.000 2.438 441 L HA 0.773 5.112 4.340 -0.001 0.000 0.270 441 L C -0.981 175.888 176.870 -0.002 0.000 0.972 441 L CA -0.478 54.443 54.840 0.135 0.000 0.831 441 L CB 2.303 44.424 42.059 0.104 0.000 1.273 441 L HN -0.003 nan 8.230 nan 0.000 0.405 442 S N 3.318 118.899 115.700 -0.198 0.000 2.575 442 S HA 0.678 5.148 4.470 -0.001 0.000 0.278 442 S C -0.958 173.524 174.600 -0.197 0.000 1.139 442 S CA -0.557 57.422 58.200 -0.367 0.000 0.954 442 S CB 1.177 63.665 63.200 -1.186 0.000 1.054 442 S HN 0.787 nan 8.310 nan 0.000 0.483 443 E N 1.072 121.222 120.200 -0.083 0.000 2.285 443 E HA 0.505 4.854 4.350 -0.001 0.000 0.254 443 E C -0.437 175.982 176.600 -0.301 0.000 1.011 443 E CA -0.967 55.361 56.400 -0.120 0.000 0.873 443 E CB 1.269 30.932 29.700 -0.062 0.000 1.229 443 E HN 0.706 nan 8.360 nan 0.000 0.422 444 T N -0.820 113.578 114.554 -0.261 0.000 2.845 444 T HA 0.322 4.672 4.350 -0.001 0.000 0.288 444 T C -0.436 173.970 174.700 -0.490 0.000 0.980 444 T CA -0.709 61.210 62.100 -0.302 0.000 1.071 444 T CB 0.573 69.364 68.868 -0.129 0.000 0.941 444 T HN 0.318 nan 8.240 nan 0.000 0.487 445 H N 3.423 122.469 119.070 -0.040 0.000 2.727 445 H HA 0.370 4.926 4.556 -0.001 0.000 0.330 445 H C -2.681 172.662 175.328 0.025 0.000 0.986 445 H CA -2.065 53.984 56.048 0.003 0.000 1.251 445 H CB 2.191 31.998 29.762 0.076 0.000 1.493 445 H HN 0.524 nan 8.280 nan 0.000 0.515 446 P HA 0.041 nan 4.420 nan 0.000 0.287 446 P C -0.622 176.726 177.300 0.081 0.000 1.307 446 P CA -0.323 62.836 63.100 0.099 0.000 0.777 446 P CB 0.505 32.273 31.700 0.113 0.000 0.883 447 W N 3.079 124.414 121.300 0.057 0.000 2.433 447 W HA 0.348 5.007 4.660 -0.001 0.000 0.315 447 W C 0.538 177.183 176.519 0.209 0.000 1.087 447 W CA 0.332 57.657 57.345 -0.033 0.000 1.205 447 W CB 0.988 30.298 29.460 -0.251 0.000 1.288 447 W HN 0.448 nan 8.180 nan 0.000 0.504 448 H N 3.231 122.418 119.070 0.194 0.000 2.600 448 H HA 0.547 5.102 4.556 -0.001 0.000 0.357 448 H C -1.594 173.975 175.328 0.402 0.000 1.106 448 H CA -0.769 55.454 56.048 0.291 0.000 1.193 448 H CB 1.205 31.114 29.762 0.245 0.000 1.594 448 H HN 0.442 nan 8.280 nan 0.000 0.526 449 L N 5.763 126.912 121.223 -0.123 0.000 2.296 449 L HA 0.346 4.686 4.340 -0.001 0.000 0.286 449 L C -0.279 176.336 176.870 -0.425 0.000 1.023 449 L CA -0.670 54.099 54.840 -0.118 0.000 0.812 449 L CB 0.773 42.737 42.059 -0.158 0.000 1.223 449 L HN 0.756 nan 8.230 nan 0.000 0.421 450 H N 2.805 121.700 119.070 -0.291 0.000 2.511 450 H HA 0.148 4.703 4.556 -0.001 0.000 0.346 450 H C 0.832 175.984 175.328 -0.294 0.000 1.128 450 H CA 0.478 56.430 56.048 -0.160 0.000 1.342 450 H CB 1.592 31.404 29.762 0.084 0.000 1.470 450 H HN 0.919 nan 8.280 nan 0.000 0.546 451 G N 2.302 110.809 108.800 -0.489 0.000 2.179 451 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.257 451 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.257 451 G C -0.480 173.631 174.900 -1.314 0.000 1.010 451 G CA 0.654 44.965 45.100 -1.315 0.000 0.736 451 G HN 0.876 nan 8.290 nan 0.000 0.513 452 H N -1.408 117.300 119.070 -0.604 0.000 3.037 452 H HA 0.561 5.116 4.556 -0.001 0.000 0.336 452 H C -1.339 173.729 175.328 -0.434 0.000 1.323 452 H CA -0.865 54.895 56.048 -0.480 0.000 1.159 452 H CB 1.140 30.617 29.762 -0.475 0.000 1.882 452 H HN 0.095 nan 8.280 nan 0.000 0.535 453 D N 0.814 121.046 120.400 -0.279 0.000 2.299 453 D HA 0.420 5.059 4.640 -0.001 0.000 0.243 453 D C -0.665 175.393 176.300 -0.402 0.000 0.982 453 D CA -0.396 53.336 54.000 -0.446 0.000 0.924 453 D CB 1.829 42.371 40.800 -0.431 0.000 1.238 453 D HN 0.281 nan 8.370 nan 0.000 0.484 454 F N -1.799 117.957 119.950 -0.324 0.000 2.640 454 F HA 0.634 5.160 4.527 -0.001 0.000 0.324 454 F C -0.850 174.796 175.800 -0.256 0.000 1.077 454 F CA -1.467 56.376 58.000 -0.262 0.000 0.965 454 F CB 0.947 39.880 39.000 -0.111 0.000 1.351 454 F HN 0.153 nan 8.300 nan 0.000 0.487 455 W N 1.718 123.196 121.300 0.297 0.000 2.390 455 W HA 0.526 5.185 4.660 -0.001 0.000 0.312 455 W C -0.982 175.678 176.519 0.235 0.000 1.123 455 W CA -1.017 56.442 57.345 0.190 0.000 1.202 455 W CB 1.948 31.471 29.460 0.105 0.000 1.251 455 W HN 0.216 nan 8.180 nan 0.000 0.511 456 V N 6.114 126.267 119.914 0.398 0.000 2.352 456 V HA -0.101 4.018 4.120 -0.001 0.000 0.253 456 V C 1.073 177.253 176.094 0.143 0.000 1.083 456 V CA -0.100 62.342 62.300 0.236 0.000 0.993 456 V CB 0.232 32.188 31.823 0.222 0.000 1.111 456 V HN 0.425 nan 8.190 nan 0.000 0.490 457 L N 4.061 125.336 121.223 0.088 0.000 2.093 457 L HA 0.306 4.645 4.340 -0.001 0.000 0.208 457 L C 1.242 178.140 176.870 0.047 0.000 1.085 457 L CA 1.724 56.607 54.840 0.072 0.000 0.755 457 L CB -0.804 41.287 42.059 0.053 0.000 0.904 457 L HN 0.827 nan 8.230 nan 0.000 0.435 458 G N -3.625 105.146 108.800 -0.048 0.000 2.349 458 G HA2 0.400 4.359 3.960 -0.001 0.000 0.294 458 G HA3 0.400 4.359 3.960 -0.001 0.000 0.294 458 G C -2.102 172.544 174.900 -0.423 0.000 1.380 458 G CA -0.628 44.419 45.100 -0.089 0.000 0.811 458 G HN -0.197 nan 8.290 nan 0.000 0.519 459 Y N -1.013 118.970 120.300 -0.528 0.000 2.524 459 Y HA 0.801 5.351 4.550 -0.001 0.000 0.347 459 Y C 0.667 175.917 175.900 -1.082 0.000 1.005 459 Y CA -0.177 57.456 58.100 -0.778 0.000 1.025 459 Y CB 2.641 40.831 38.460 -0.450 0.000 1.275 459 Y HN 1.036 nan 8.280 nan 0.000 0.460 460 G N 0.522 108.510 108.800 -1.354 0.000 2.708 460 G HA2 0.479 4.438 3.960 -0.001 0.000 0.289 460 G HA3 0.479 4.438 3.960 -0.001 0.000 0.289 460 G C -1.909 172.788 174.900 -0.338 0.000 1.416 460 G CA -0.935 43.726 45.100 -0.732 0.000 0.829 460 G HN 0.448 nan 8.290 nan 0.000 0.480 461 D N -0.166 120.286 120.400 0.086 0.000 2.181 461 D HA 0.565 5.205 4.640 -0.001 0.000 0.248 461 D C 0.885 177.381 176.300 0.328 0.000 1.020 461 D CA 1.026 55.137 54.000 0.185 0.000 0.891 461 D CB 1.958 42.848 40.800 0.149 0.000 1.187 461 D HN 1.070 nan 8.370 nan 0.000 0.443 462 G N 1.742 110.741 108.800 0.330 0.000 2.593 462 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.237 462 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.237 462 G C -0.203 174.984 174.900 0.478 0.000 1.312 462 G CA -0.412 44.892 45.100 0.339 0.000 0.896 462 G HN 0.575 nan 8.290 nan 0.000 0.574 463 K N -0.440 120.178 120.400 0.363 0.000 2.205 463 K HA 0.524 4.844 4.320 -0.001 0.000 0.279 463 K C 0.098 176.826 176.600 0.213 0.000 1.027 463 K CA -0.656 55.837 56.287 0.345 0.000 0.932 463 K CB 0.458 33.113 32.500 0.258 0.000 1.032 463 K HN 0.511 nan 8.250 nan 0.000 0.466 464 F N 3.465 123.359 119.950 -0.094 0.000 2.538 464 F HA 0.068 4.594 4.527 -0.001 0.000 0.371 464 F C -0.118 175.512 175.800 -0.283 0.000 1.087 464 F CA 0.398 58.050 58.000 -0.579 0.000 1.250 464 F CB 0.492 39.072 39.000 -0.700 0.000 1.110 464 F HN 0.501 nan 8.300 nan 0.000 0.570 465 S N 4.326 119.426 115.700 -0.999 0.000 2.600 465 S HA 0.725 5.194 4.470 -0.001 0.000 0.300 465 S C 0.545 174.593 174.600 -0.919 0.000 1.087 465 S CA -0.494 57.305 58.200 -0.669 0.000 0.965 465 S CB 1.471 64.463 63.200 -0.347 0.000 1.089 465 S HN 0.960 nan 8.310 nan 0.000 0.496 466 A N 0.908 123.453 122.820 -0.458 0.000 1.978 466 A HA -0.083 4.237 4.320 -0.001 0.000 0.220 466 A C 1.772 179.210 177.584 -0.243 0.000 1.170 466 A CA 1.349 53.224 52.037 -0.271 0.000 0.636 466 A CB -0.789 18.155 19.000 -0.093 0.000 0.810 466 A HN 0.821 nan 8.150 nan 0.000 0.448 467 E N -0.150 119.908 120.200 -0.238 0.000 2.463 467 E HA -0.151 4.198 4.350 -0.001 0.000 0.201 467 E C 1.408 177.915 176.600 -0.155 0.000 1.045 467 E CA 0.932 57.241 56.400 -0.151 0.000 0.872 467 E CB -0.195 29.436 29.700 -0.115 0.000 0.797 467 E HN 0.725 nan 8.360 nan 0.000 0.538 468 E N 0.773 120.792 120.200 -0.302 0.000 2.427 468 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 468 E C 1.581 178.171 176.600 -0.017 0.000 1.028 468 E CA 0.287 56.564 56.400 -0.206 0.000 0.864 468 E CB 0.073 29.442 29.700 -0.552 0.000 0.813 468 E HN 0.098 nan 8.360 nan 0.000 0.514 469 E N -0.148 120.049 120.200 -0.006 0.000 2.086 469 E HA -0.221 4.129 4.350 -0.001 0.000 0.200 469 E C 1.673 178.326 176.600 0.089 0.000 1.012 469 E CA 1.831 58.284 56.400 0.089 0.000 0.812 469 E CB -0.236 29.511 29.700 0.078 0.000 0.743 469 E HN 0.306 nan 8.360 nan 0.000 0.453 470 S N -0.711 115.026 115.700 0.061 0.000 2.537 470 S HA -0.131 4.338 4.470 -0.001 0.000 0.240 470 S C 1.864 176.510 174.600 0.076 0.000 0.981 470 S CA 0.916 59.151 58.200 0.058 0.000 0.948 470 S CB -0.316 62.908 63.200 0.040 0.000 0.759 470 S HN 0.313 nan 8.310 nan 0.000 0.531 471 S N 1.313 117.079 115.700 0.111 0.000 2.478 471 S HA 0.253 4.722 4.470 -0.001 0.000 0.222 471 S C 0.639 175.319 174.600 0.133 0.000 1.008 471 S CA -0.384 57.892 58.200 0.126 0.000 0.928 471 S CB -0.687 62.617 63.200 0.174 0.000 0.781 471 S HN 0.463 nan 8.310 nan 0.000 0.518 472 L N 3.500 124.814 121.223 0.153 0.000 2.534 472 L HA 0.168 4.508 4.340 -0.001 0.000 0.271 472 L C 0.451 177.370 176.870 0.082 0.000 1.178 472 L CA -0.275 54.648 54.840 0.137 0.000 0.907 472 L CB -0.235 41.909 42.059 0.141 0.000 1.164 472 L HN 0.204 nan 8.230 nan 0.000 0.482 473 N N 4.613 123.356 118.700 0.073 0.000 2.406 473 N HA 0.075 4.815 4.740 -0.001 0.000 0.269 473 N C 0.414 175.940 175.510 0.027 0.000 1.210 473 N CA 0.169 53.250 53.050 0.053 0.000 0.966 473 N CB 0.558 39.083 38.487 0.064 0.000 1.293 473 N HN 0.564 nan 8.380 nan 0.000 0.491 474 L N 2.028 123.251 121.223 0.001 0.000 2.607 474 L HA 0.138 4.477 4.340 -0.001 0.000 0.228 474 L C 1.816 178.649 176.870 -0.061 0.000 1.123 474 L CA 0.099 54.907 54.840 -0.052 0.000 0.890 474 L CB 0.000 42.027 42.059 -0.053 0.000 1.103 474 L HN 0.354 nan 8.230 nan 0.000 0.468 475 K N 0.757 121.147 120.400 -0.016 0.000 2.141 475 K HA 0.016 4.335 4.320 -0.001 0.000 0.202 475 K C 1.219 177.831 176.600 0.020 0.000 1.045 475 K CA 1.186 57.471 56.287 -0.002 0.000 0.971 475 K CB 0.249 32.757 32.500 0.014 0.000 0.795 475 K HN -0.012 nan 8.250 nan 0.000 0.459 476 N N 0.393 119.121 118.700 0.047 0.000 2.387 476 N HA 0.243 4.982 4.740 -0.001 0.000 0.259 476 N C -2.877 172.710 175.510 0.128 0.000 1.369 476 N CA -1.630 51.471 53.050 0.085 0.000 0.867 476 N CB 0.935 39.469 38.487 0.077 0.000 1.341 476 N HN 0.095 nan 8.380 nan 0.000 0.495 477 P HA 0.229 nan 4.420 nan 0.000 0.271 477 P C -2.778 174.706 177.300 0.306 0.000 1.216 477 P CA -0.842 62.385 63.100 0.212 0.000 0.771 477 P CB 0.732 32.554 31.700 0.203 0.000 0.864 478 P HA 0.179 nan 4.420 nan 0.000 0.272 478 P C -0.435 176.952 177.300 0.145 0.000 1.230 478 P CA -0.069 63.150 63.100 0.198 0.000 0.788 478 P CB 0.812 32.612 31.700 0.167 0.000 0.949 479 L N 3.084 124.311 121.223 0.008 0.000 2.257 479 L HA 0.413 4.752 4.340 -0.001 0.000 0.290 479 L C 1.111 177.832 176.870 -0.248 0.000 1.044 479 L CA -0.138 54.568 54.840 -0.225 0.000 0.810 479 L CB 0.506 42.398 42.059 -0.278 0.000 1.193 479 L HN 0.339 nan 8.230 nan 0.000 0.425 480 R N 1.553 121.801 120.500 -0.420 0.000 2.869 480 R HA 0.349 4.688 4.340 -0.001 0.000 0.263 480 R C -0.210 175.537 176.300 -0.922 0.000 1.066 480 R CA -0.745 55.070 56.100 -0.476 0.000 0.960 480 R CB 1.635 31.777 30.300 -0.263 0.000 1.221 480 R HN 0.663 nan 8.270 nan 0.000 0.474 481 N N -1.857 116.484 118.700 -0.598 0.000 2.210 481 N HA 0.057 4.796 4.740 -0.001 0.000 0.203 481 N C -0.730 174.761 175.510 -0.033 0.000 1.175 481 N CA -0.064 52.668 53.050 -0.530 0.000 0.894 481 N CB 1.090 39.456 38.487 -0.203 0.000 1.041 481 N HN 0.239 nan 8.380 nan 0.000 0.506 482 T N 0.220 114.843 114.554 0.115 0.000 2.876 482 T HA 0.627 4.977 4.350 -0.001 0.000 0.289 482 T C -1.547 173.392 174.700 0.398 0.000 1.014 482 T CA -0.693 61.628 62.100 0.368 0.000 0.986 482 T CB 2.524 71.550 68.868 0.262 0.000 1.021 482 T HN -0.054 nan 8.240 nan 0.000 0.458 483 V N 2.955 123.144 119.914 0.459 0.000 2.932 483 V HA 0.694 4.813 4.120 -0.001 0.000 0.307 483 V C -1.145 175.086 176.094 0.228 0.000 1.147 483 V CA -0.767 61.758 62.300 0.374 0.000 0.951 483 V CB 2.199 34.281 31.823 0.431 0.000 1.031 483 V HN 0.845 nan 8.190 nan 0.000 0.426 484 V N 5.149 125.116 119.914 0.088 0.000 2.617 484 V HA 0.656 4.775 4.120 -0.001 0.000 0.298 484 V C 0.052 176.091 176.094 -0.092 0.000 1.048 484 V CA -0.674 61.517 62.300 -0.181 0.000 0.964 484 V CB 1.346 32.664 31.823 -0.841 0.000 1.004 484 V HN 0.800 nan 8.190 nan 0.000 0.466 485 I N 0.382 120.900 120.570 -0.086 0.000 2.359 485 I HA 0.620 4.790 4.170 -0.001 0.000 0.294 485 I C -0.574 175.435 176.117 -0.180 0.000 0.987 485 I CA -0.337 60.962 61.300 -0.002 0.000 1.225 485 I CB 0.972 39.029 38.000 0.095 0.000 1.366 485 I HN 0.413 nan 8.210 nan 0.000 0.466 486 F N 4.693 124.674 119.950 0.051 0.000 2.368 486 F HA 0.480 5.006 4.527 -0.001 0.000 0.315 486 F C -1.927 173.786 175.800 -0.146 0.000 1.145 486 F CA -2.231 55.727 58.000 -0.070 0.000 1.095 486 F CB 0.150 39.128 39.000 -0.037 0.000 1.286 486 F HN 0.266 nan 8.300 nan 0.000 0.530 487 P HA -0.102 nan 4.420 nan 0.000 0.260 487 P C -1.038 176.239 177.300 -0.039 0.000 1.172 487 P CA 0.783 63.717 63.100 -0.276 0.000 0.760 487 P CB -0.219 31.203 31.700 -0.464 0.000 0.773 488 Y N -0.036 120.314 120.300 0.084 0.000 3.825 488 Y HA -0.205 4.344 4.550 -0.001 0.000 0.221 488 Y C 1.224 177.224 175.900 0.167 0.000 1.195 488 Y CA 1.353 59.529 58.100 0.126 0.000 1.699 488 Y CB -2.153 36.367 38.460 0.099 0.000 1.531 488 Y HN 0.515 nan 8.280 nan 0.000 0.640 489 G N -1.283 107.672 108.800 0.259 0.000 2.816 489 G HA2 0.678 4.637 3.960 -0.001 0.000 0.288 489 G HA3 0.678 4.637 3.960 -0.001 0.000 0.288 489 G C -0.747 174.321 174.900 0.280 0.000 1.334 489 G CA -0.534 44.715 45.100 0.249 0.000 0.978 489 G HN 0.392 nan 8.290 nan 0.000 0.493 490 W N -0.577 120.873 121.300 0.250 0.000 2.736 490 W HA 0.805 5.464 4.660 -0.001 0.000 0.355 490 W C -1.407 175.201 176.519 0.147 0.000 1.102 490 W CA -1.140 56.313 57.345 0.181 0.000 1.164 490 W CB 0.909 30.511 29.460 0.237 0.000 1.422 490 W HN 0.545 nan 8.180 nan 0.000 0.572 491 T N 1.337 116.001 114.554 0.183 0.000 2.933 491 T HA 0.616 4.965 4.350 -0.001 0.000 0.305 491 T C -1.035 173.691 174.700 0.043 0.000 1.092 491 T CA -0.412 61.629 62.100 -0.099 0.000 1.008 491 T CB 1.772 70.494 68.868 -0.244 0.000 1.102 491 T HN 0.645 nan 8.240 nan 0.000 0.469 492 A N 2.935 125.755 122.820 -0.001 0.000 2.330 492 A HA 0.903 5.222 4.320 -0.001 0.000 0.313 492 A C -0.461 177.037 177.584 -0.144 0.000 1.124 492 A CA -0.816 51.181 52.037 -0.068 0.000 0.774 492 A CB 0.234 19.252 19.000 0.029 0.000 1.198 492 A HN 0.917 nan 8.150 nan 0.000 0.465 493 I N -0.740 119.702 120.570 -0.212 0.000 2.892 493 I HA 0.889 5.059 4.170 -0.001 0.000 0.306 493 I C -0.458 175.595 176.117 -0.107 0.000 1.078 493 I CA -1.088 60.105 61.300 -0.178 0.000 1.032 493 I CB 2.193 39.865 38.000 -0.547 0.000 1.229 493 I HN 0.667 nan 8.210 nan 0.000 0.435 494 R N 3.345 123.907 120.500 0.103 0.000 2.621 494 R HA 0.721 5.061 4.340 -0.001 0.000 0.284 494 R C -1.945 174.597 176.300 0.402 0.000 0.998 494 R CA -0.475 55.696 56.100 0.118 0.000 0.895 494 R CB 1.895 32.255 30.300 0.100 0.000 1.195 494 R HN 0.796 nan 8.270 nan 0.000 0.450 495 F N 0.582 120.551 119.950 0.031 0.000 2.754 495 F HA 0.714 5.241 4.527 -0.001 0.000 0.320 495 F C -1.746 174.039 175.800 -0.024 0.000 1.156 495 F CA -1.188 56.829 58.000 0.028 0.000 0.950 495 F CB 0.955 39.852 39.000 -0.172 0.000 1.388 495 F HN 0.051 nan 8.300 nan 0.000 0.485 496 V N 1.472 121.445 119.914 0.099 0.000 2.495 496 V HA 0.690 4.809 4.120 -0.001 0.000 0.298 496 V C 0.130 176.253 176.094 0.048 0.000 1.031 496 V CA -0.736 61.550 62.300 -0.023 0.000 0.871 496 V CB 1.198 33.085 31.823 0.107 0.000 0.988 496 V HN 1.109 nan 8.190 nan 0.000 0.432 497 A N 3.117 125.883 122.820 -0.091 0.000 2.981 497 A HA 0.357 4.677 4.320 -0.001 0.000 0.280 497 A C 0.662 178.361 177.584 0.191 0.000 1.743 497 A CA -0.099 51.999 52.037 0.101 0.000 1.430 497 A CB -0.627 18.363 19.000 -0.016 0.000 1.085 497 A HN 0.928 nan 8.150 nan 0.000 0.597 498 D N -0.215 120.326 120.400 0.236 0.000 2.431 498 D HA 0.042 4.681 4.640 -0.001 0.000 0.213 498 D C -0.182 176.199 176.300 0.136 0.000 1.130 498 D CA -0.189 53.903 54.000 0.154 0.000 0.834 498 D CB 0.007 40.870 40.800 0.104 0.000 0.985 498 D HN 0.250 nan 8.370 nan 0.000 0.504 499 N N 1.288 120.099 118.700 0.185 0.000 2.524 499 N HA 0.311 5.050 4.740 -0.001 0.000 0.261 499 N C -2.933 172.809 175.510 0.387 0.000 0.998 499 N CA -2.074 51.058 53.050 0.137 0.000 0.915 499 N CB 1.735 40.079 38.487 -0.238 0.000 1.187 499 N HN -0.232 nan 8.380 nan 0.000 0.507 500 P HA 0.200 nan 4.420 nan 0.000 0.258 500 P C -0.011 177.446 177.300 0.262 0.000 1.187 500 P CA 0.546 63.802 63.100 0.260 0.000 0.767 500 P CB 0.332 32.128 31.700 0.160 0.000 0.770 501 G N 1.264 110.138 108.800 0.124 0.000 2.324 501 G HA2 0.287 4.246 3.960 -0.001 0.000 0.293 501 G HA3 0.287 4.246 3.960 -0.001 0.000 0.293 501 G C -1.903 172.661 174.900 -0.559 0.000 1.297 501 G CA -0.629 44.252 45.100 -0.365 0.000 0.853 501 G HN 0.259 nan 8.290 nan 0.000 0.535 502 V N 0.276 119.680 119.914 -0.851 0.000 2.378 502 V HA 0.707 4.826 4.120 -0.001 0.000 0.288 502 V C -0.973 174.713 176.094 -0.680 0.000 1.016 502 V CA -0.283 61.704 62.300 -0.521 0.000 0.840 502 V CB 0.987 32.635 31.823 -0.292 0.000 0.994 502 V HN 0.647 nan 8.190 nan 0.000 0.431 503 W N 2.521 123.880 121.300 0.098 0.000 2.761 503 W HA 0.807 5.466 4.660 -0.001 0.000 0.340 503 W C 0.034 176.544 176.519 -0.016 0.000 1.072 503 W CA -0.744 56.645 57.345 0.075 0.000 1.215 503 W CB 1.966 31.551 29.460 0.209 0.000 1.420 503 W HN 0.628 nan 8.180 nan 0.000 0.519 504 A N 2.587 125.432 122.820 0.043 0.000 2.303 504 A HA 0.765 5.084 4.320 -0.001 0.000 0.317 504 A C -1.802 175.793 177.584 0.019 0.000 1.149 504 A CA -0.366 51.627 52.037 -0.073 0.000 0.822 504 A CB 0.611 19.455 19.000 -0.259 0.000 1.131 504 A HN 0.554 nan 8.150 nan 0.000 0.493 505 F N 3.364 123.176 119.950 -0.231 0.000 2.577 505 F HA 0.589 5.115 4.527 -0.001 0.000 0.344 505 F C -0.566 175.191 175.800 -0.072 0.000 1.145 505 F CA -0.922 56.924 58.000 -0.257 0.000 0.996 505 F CB 1.031 39.659 39.000 -0.620 0.000 1.248 505 F HN 0.873 nan 8.300 nan 0.000 0.447 506 H N 2.020 120.938 119.070 -0.253 0.000 2.966 506 H HA 0.495 5.050 4.556 -0.001 0.000 0.330 506 H C -1.229 173.389 175.328 -1.183 0.000 1.292 506 H CA -1.543 54.082 56.048 -0.704 0.000 1.127 506 H CB 0.875 30.449 29.762 -0.313 0.000 1.863 506 H HN 0.609 nan 8.280 nan 0.000 0.543 507 C N 2.068 120.593 119.300 -1.291 0.000 2.576 507 C HA 0.110 4.569 4.460 -0.001 0.000 0.401 507 C C 1.536 176.406 174.990 -0.200 0.000 1.314 507 C CA -0.183 58.246 59.018 -0.980 0.000 1.855 507 C CB -1.201 26.018 27.740 -0.868 0.000 2.537 507 C HN 1.020 nan 8.230 nan 0.000 0.578 508 H N 4.081 123.075 119.070 -0.126 0.000 2.562 508 H HA 0.179 4.734 4.556 -0.001 0.000 0.272 508 H C 0.432 175.715 175.328 -0.075 0.000 1.019 508 H CA 0.706 56.783 56.048 0.048 0.000 1.160 508 H CB 0.076 29.902 29.762 0.108 0.000 1.334 508 H HN 0.656 nan 8.280 nan 0.000 0.611 509 I N 1.720 122.214 120.570 -0.128 0.000 2.312 509 I HA -0.063 4.106 4.170 -0.001 0.000 0.291 509 I C 1.563 177.511 176.117 -0.281 0.000 1.031 509 I CA -0.200 60.954 61.300 -0.242 0.000 1.293 509 I CB 1.620 39.330 38.000 -0.483 0.000 1.403 509 I HN 0.065 nan 8.210 nan 0.000 0.484 510 E N 8.867 128.918 120.200 -0.248 0.000 2.070 510 E HA -0.190 4.160 4.350 -0.001 0.000 0.197 510 E C -0.823 175.674 176.600 -0.172 0.000 1.004 510 E CA 2.178 58.431 56.400 -0.245 0.000 0.805 510 E CB -0.838 28.715 29.700 -0.246 0.000 0.744 510 E HN 0.471 nan 8.360 nan 0.000 0.451 511 P HA -0.163 nan 4.420 nan 0.000 0.216 511 P C 0.827 178.270 177.300 0.240 0.000 1.150 511 P CA 1.680 64.792 63.100 0.020 0.000 0.837 511 P CB -0.245 31.476 31.700 0.035 0.000 0.786 512 H N -1.004 118.059 119.070 -0.013 0.000 2.363 512 H HA -0.053 4.502 4.556 -0.001 0.000 0.301 512 H C 2.151 177.406 175.328 -0.122 0.000 1.074 512 H CA 0.228 56.165 56.048 -0.184 0.000 1.354 512 H CB -0.321 29.113 29.762 -0.548 0.000 1.397 512 H HN 0.003 nan 8.280 nan 0.000 0.516 513 L N 0.765 121.963 121.223 -0.042 0.000 2.012 513 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 513 L C 2.321 179.176 176.870 -0.024 0.000 1.073 513 L CA 1.978 56.750 54.840 -0.112 0.000 0.748 513 L CB -0.797 41.109 42.059 -0.254 0.000 0.891 513 L HN 0.271 nan 8.230 nan 0.000 0.431 514 H N -1.210 117.818 119.070 -0.069 0.000 2.457 514 H HA -0.114 4.441 4.556 -0.001 0.000 0.297 514 H C 1.653 177.000 175.328 0.031 0.000 1.092 514 H CA 1.910 57.935 56.048 -0.038 0.000 1.309 514 H CB -0.023 29.708 29.762 -0.052 0.000 1.382 514 H HN 0.385 nan 8.280 nan 0.000 0.535 515 M N -0.871 118.835 119.600 0.176 0.000 2.453 515 M HA 0.207 4.686 4.480 -0.001 0.000 0.239 515 M C 1.028 177.425 176.300 0.161 0.000 1.151 515 M CA 0.640 56.056 55.300 0.195 0.000 0.989 515 M CB 1.291 34.138 32.600 0.412 0.000 1.548 515 M HN 0.515 nan 8.290 nan 0.000 0.479 516 G N 0.812 109.664 108.800 0.086 0.000 2.163 516 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.213 516 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.213 516 G C 0.161 175.119 174.900 0.097 0.000 0.991 516 G CA -0.471 44.676 45.100 0.078 0.000 0.653 516 G HN 0.443 nan 8.290 nan 0.000 0.518 517 M N 1.551 121.189 119.600 0.063 0.000 2.974 517 M HA 0.503 4.982 4.480 -0.001 0.000 0.301 517 M C 0.585 176.797 176.300 -0.147 0.000 1.409 517 M CA 1.084 56.375 55.300 -0.014 0.000 1.515 517 M CB -0.474 32.013 32.600 -0.188 0.000 1.163 517 M HN 0.700 nan 8.290 nan 0.000 0.520 518 G N 1.686 110.491 108.800 0.009 0.000 2.368 518 G HA2 0.506 4.466 3.960 -0.001 0.000 0.293 518 G HA3 0.506 4.466 3.960 -0.001 0.000 0.293 518 G C -1.753 173.246 174.900 0.166 0.000 1.467 518 G CA -0.582 44.532 45.100 0.023 0.000 0.804 518 G HN 0.563 nan 8.290 nan 0.000 0.535 519 V N -2.644 117.377 119.914 0.178 0.000 3.141 519 V HA 0.947 5.067 4.120 -0.001 0.000 0.312 519 V C -0.519 175.635 176.094 0.101 0.000 1.157 519 V CA -1.205 61.222 62.300 0.212 0.000 1.041 519 V CB 1.611 33.620 31.823 0.309 0.000 1.071 519 V HN 0.997 nan 8.190 nan 0.000 0.441 520 V N 1.486 121.495 119.914 0.158 0.000 2.588 520 V HA 0.618 4.737 4.120 -0.001 0.000 0.304 520 V C -1.104 175.196 176.094 0.344 0.000 1.042 520 V CA -0.224 62.111 62.300 0.059 0.000 0.877 520 V CB 1.535 33.225 31.823 -0.221 0.000 0.996 520 V HN 0.721 nan 8.190 nan 0.000 0.425 521 F N 2.507 122.545 119.950 0.146 0.000 2.469 521 F HA 0.880 5.406 4.527 -0.001 0.000 0.332 521 F C 0.404 176.272 175.800 0.113 0.000 1.103 521 F CA -1.508 56.610 58.000 0.197 0.000 0.979 521 F CB 1.933 41.187 39.000 0.422 0.000 1.137 521 F HN 0.600 nan 8.300 nan 0.000 0.463 522 A N 3.354 126.283 122.820 0.181 0.000 2.422 522 A HA 0.739 5.058 4.320 -0.001 0.000 0.302 522 A C -1.046 176.640 177.584 0.169 0.000 1.041 522 A CA -0.583 51.517 52.037 0.104 0.000 0.708 522 A CB 1.832 20.806 19.000 -0.044 0.000 1.257 522 A HN 0.748 nan 8.150 nan 0.000 0.414 523 E N 1.060 121.412 120.200 0.255 0.000 2.343 523 E HA 0.504 4.853 4.350 -0.001 0.000 0.278 523 E C 0.314 177.044 176.600 0.217 0.000 0.910 523 E CA -0.452 56.113 56.400 0.275 0.000 0.757 523 E CB 1.252 31.207 29.700 0.425 0.000 1.218 523 E HN 2.130 nan 8.360 nan 0.000 0.435 524 G N 1.993 110.888 108.800 0.159 0.000 2.321 524 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.287 524 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.287 524 G C 0.743 175.700 174.900 0.095 0.000 1.018 524 G CA 0.552 45.726 45.100 0.123 0.000 0.855 524 G HN 0.421 nan 8.290 nan 0.000 0.507 525 V N 0.886 120.843 119.914 0.071 0.000 2.594 525 V HA -0.181 3.939 4.120 -0.001 0.000 0.253 525 V C 2.678 178.786 176.094 0.022 0.000 1.069 525 V CA 2.427 64.749 62.300 0.037 0.000 1.082 525 V CB -0.134 31.701 31.823 0.020 0.000 0.680 525 V HN 0.826 nan 8.190 nan 0.000 0.469 526 E N 0.228 120.443 120.200 0.025 0.000 2.515 526 E HA -0.204 4.145 4.350 -0.001 0.000 0.201 526 E C 1.411 178.024 176.600 0.020 0.000 1.071 526 E CA 0.842 57.249 56.400 0.011 0.000 0.880 526 E CB -0.185 29.524 29.700 0.016 0.000 0.828 526 E HN 0.429 nan 8.360 nan 0.000 0.540 527 K N 0.814 121.238 120.400 0.040 0.000 2.358 527 K HA 0.205 4.525 4.320 -0.001 0.000 0.197 527 K C 0.228 176.863 176.600 0.059 0.000 1.025 527 K CA -0.162 56.155 56.287 0.050 0.000 1.104 527 K CB 0.954 33.493 32.500 0.066 0.000 0.855 527 K HN 0.004 nan 8.250 nan 0.000 0.531 528 V N 1.167 121.113 119.914 0.053 0.000 2.715 528 V HA 0.141 4.261 4.120 -0.001 0.000 0.299 528 V C 1.417 177.553 176.094 0.069 0.000 1.054 528 V CA -0.092 62.255 62.300 0.077 0.000 1.077 528 V CB 1.123 32.983 31.823 0.062 0.000 0.972 528 V HN 0.298 nan 8.190 nan 0.000 0.484 529 G N 3.630 112.499 108.800 0.114 0.000 2.624 529 G HA2 0.236 4.195 3.960 -0.001 0.000 0.217 529 G HA3 0.236 4.195 3.960 -0.001 0.000 0.217 529 G C 0.102 175.035 174.900 0.056 0.000 1.506 529 G CA -0.613 44.538 45.100 0.085 0.000 1.072 529 G HN 0.661 nan 8.290 nan 0.000 0.568 530 R N -0.255 120.259 120.500 0.023 0.000 2.347 530 R HA 0.271 4.611 4.340 -0.001 0.000 0.304 530 R C -0.285 175.929 176.300 -0.143 0.000 1.072 530 R CA -0.232 55.847 56.100 -0.035 0.000 0.980 530 R CB 0.007 30.272 30.300 -0.057 0.000 0.986 530 R HN 0.292 nan 8.270 nan 0.000 0.448 531 I N 7.241 127.751 120.570 -0.100 0.000 2.428 531 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 531 I C -1.751 174.207 176.117 -0.265 0.000 1.019 531 I CA -2.372 58.813 61.300 -0.191 0.000 1.351 531 I CB 1.294 39.331 38.000 0.061 0.000 1.412 531 I HN 0.472 nan 8.210 nan 0.000 0.513 532 P HA -0.060 nan 4.420 nan 0.000 0.259 532 P C 0.698 177.930 177.300 -0.112 0.000 1.163 532 P CA 0.432 63.323 63.100 -0.348 0.000 0.760 532 P CB 0.338 31.732 31.700 -0.510 0.000 0.762 533 T N 2.677 117.175 114.554 -0.093 0.000 2.737 533 T HA -0.216 4.134 4.350 -0.001 0.000 0.269 533 T C 1.484 176.204 174.700 0.033 0.000 1.040 533 T CA 1.411 63.495 62.100 -0.026 0.000 1.142 533 T CB -0.260 68.583 68.868 -0.042 0.000 0.861 533 T HN 0.473 nan 8.240 nan 0.000 0.456 534 K N 0.772 121.216 120.400 0.074 0.000 2.209 534 K HA 0.091 4.410 4.320 -0.001 0.000 0.204 534 K C 2.502 179.240 176.600 0.230 0.000 1.048 534 K CA 0.953 57.346 56.287 0.177 0.000 0.940 534 K CB -0.172 32.512 32.500 0.307 0.000 0.729 534 K HN 0.326 nan 8.250 nan 0.000 0.451 535 A N 0.284 123.280 122.820 0.293 0.000 2.067 535 A HA -0.059 4.261 4.320 -0.001 0.000 0.217 535 A C 1.695 179.363 177.584 0.138 0.000 1.156 535 A CA 0.974 53.160 52.037 0.249 0.000 0.683 535 A CB -0.021 19.182 19.000 0.339 0.000 0.808 535 A HN 0.083 nan 8.150 nan 0.000 0.455 536 L N -1.115 120.171 121.223 0.105 0.000 2.416 536 L HA 0.250 4.590 4.340 -0.001 0.000 0.216 536 L C 2.178 179.066 176.870 0.030 0.000 1.098 536 L CA 0.908 55.790 54.840 0.069 0.000 0.840 536 L CB -0.930 41.157 42.059 0.046 0.000 0.981 536 L HN 0.329 nan 8.230 nan 0.000 0.462 537 A N -0.353 122.487 122.820 0.033 0.000 2.253 537 A HA 0.184 4.503 4.320 -0.001 0.000 0.225 537 A C 0.677 178.268 177.584 0.012 0.000 1.521 537 A CA 0.484 52.531 52.037 0.016 0.000 1.494 537 A CB -1.738 17.279 19.000 0.028 0.000 0.804 537 A HN 0.533 nan 8.150 nan 0.000 0.614 538 c N -5.254 113.350 118.600 0.007 0.000 3.314 538 c HA 0.888 5.457 4.570 -0.001 0.000 0.344 538 c C 1.176 175.265 174.090 -0.002 0.000 1.461 538 c CA -0.236 56.095 56.329 0.002 0.000 1.249 538 c CB 0.821 43.332 42.510 0.002 0.000 1.632 538 c HN 2.093 nan 8.230 nan 0.000 0.452 539 G N 0.860 109.657 108.800 -0.004 0.000 2.594 539 G HA2 0.134 4.094 3.960 -0.001 0.000 0.297 539 G HA3 0.134 4.094 3.960 -0.001 0.000 0.297 539 G C 1.046 175.949 174.900 0.005 0.000 1.273 539 G CA 1.183 46.282 45.100 -0.002 0.000 0.974 539 G HN 2.436 nan 8.290 nan 0.000 0.552 540 G N -1.044 107.766 108.800 0.016 0.000 2.422 540 G HA2 0.024 3.983 3.960 -0.001 0.000 0.218 540 G HA3 0.024 3.983 3.960 -0.001 0.000 0.218 540 G C 2.032 176.938 174.900 0.010 0.000 1.146 540 G CA 2.771 47.887 45.100 0.027 0.000 0.769 540 G HN 1.757 nan 8.290 nan 0.000 0.547 541 T N 0.363 114.922 114.554 0.008 0.000 2.788 541 T HA 0.128 4.477 4.350 -0.001 0.000 0.268 541 T C 2.617 177.272 174.700 -0.074 0.000 1.044 541 T CA 1.585 63.666 62.100 -0.032 0.000 1.139 541 T CB -0.363 68.512 68.868 0.012 0.000 0.867 541 T HN 0.332 nan 8.240 nan 0.000 0.454 542 A N 2.292 125.088 122.820 -0.040 0.000 1.873 542 A HA 0.007 4.327 4.320 -0.001 0.000 0.215 542 A C 2.304 179.863 177.584 -0.041 0.000 1.186 542 A CA 1.950 53.962 52.037 -0.042 0.000 0.616 542 A CB -0.683 18.305 19.000 -0.020 0.000 0.823 542 A HN 0.454 nan 8.150 nan 0.000 0.442 543 K N 0.712 121.097 120.400 -0.025 0.000 2.074 543 K HA -0.100 4.219 4.320 -0.001 0.000 0.209 543 K C 1.604 178.188 176.600 -0.027 0.000 1.048 543 K CA 2.389 58.666 56.287 -0.017 0.000 0.926 543 K CB -0.462 32.037 32.500 -0.001 0.000 0.713 543 K HN 0.368 nan 8.250 nan 0.000 0.444 544 S N -0.571 115.104 115.700 -0.042 0.000 2.556 544 S HA 0.170 4.639 4.470 -0.001 0.000 0.216 544 S C 0.994 175.534 174.600 -0.100 0.000 0.970 544 S CA -0.015 58.153 58.200 -0.053 0.000 0.912 544 S CB 0.198 63.375 63.200 -0.038 0.000 0.790 544 S HN 0.118 nan 8.310 nan 0.000 0.504 545 L N 0.642 121.788 121.223 -0.127 0.000 2.575 545 L HA 0.444 4.783 4.340 -0.001 0.000 0.228 545 L C 0.202 177.016 176.870 -0.094 0.000 1.075 545 L CA 0.519 55.264 54.840 -0.157 0.000 0.867 545 L CB 0.022 41.933 42.059 -0.246 0.000 1.097 545 L HN 0.221 nan 8.230 nan 0.000 0.485 546 I N 1.276 121.805 120.570 -0.067 0.000 2.421 546 I HA -0.021 4.148 4.170 -0.001 0.000 0.291 546 I C 0.524 176.621 176.117 -0.035 0.000 1.089 546 I CA 0.191 61.465 61.300 -0.044 0.000 1.354 546 I CB 0.099 38.079 38.000 -0.032 0.000 1.413 546 I HN 0.217 nan 8.210 nan 0.000 0.513 547 N N 6.546 125.228 118.700 -0.031 0.000 2.399 547 N HA 0.026 4.765 4.740 -0.001 0.000 0.259 547 N C -0.667 174.833 175.510 -0.016 0.000 1.160 547 N CA 0.030 53.067 53.050 -0.022 0.000 0.946 547 N CB 0.369 38.844 38.487 -0.020 0.000 1.156 547 N HN 0.545 nan 8.380 nan 0.000 0.489 548 N N 5.000 123.693 118.700 -0.013 0.000 2.710 548 N HA 0.309 5.048 4.740 -0.001 0.000 0.244 548 N C -2.678 172.828 175.510 -0.007 0.000 1.321 548 N CA -1.105 51.939 53.050 -0.009 0.000 0.758 548 N CB 0.951 39.432 38.487 -0.009 0.000 1.284 548 N HN 0.419 nan 8.380 nan 0.000 0.530 549 P HA 0.459 nan 4.420 nan 0.000 0.282 549 P C -1.134 176.164 177.300 -0.003 0.000 1.287 549 P CA -0.334 62.764 63.100 -0.003 0.000 0.792 549 P CB 0.997 32.695 31.700 -0.003 0.000 1.163 550 K N 0.638 121.037 120.400 -0.002 0.000 2.378 550 K HA 0.262 4.582 4.320 -0.001 0.000 0.252 550 K C 0.011 176.611 176.600 -0.001 0.000 0.931 550 K CA -0.575 55.712 56.287 -0.001 0.000 0.794 550 K CB 1.324 33.823 32.500 -0.001 0.000 1.181 550 K HN 0.781 nan 8.250 nan 0.000 0.425 551 N N -0.701 117.998 118.700 -0.001 0.000 2.925 551 N HA -0.156 4.584 4.740 -0.001 0.000 0.244 551 N C -2.068 173.442 175.510 -0.001 0.000 1.000 551 N CA 0.837 53.887 53.050 -0.001 0.000 0.895 551 N CB -2.308 36.179 38.487 -0.000 0.000 1.119 551 N HN 0.731 nan 8.380 nan 0.000 0.569 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 552 P CB 0.000 31.699 31.700 -0.002 0.000 0.726