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 3khy_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEILVLNCGS SSVKFALINP HTSQSLVTGL AENIATKNCK VVFKAEHKIV DATA SEQUENCE KYLENGSYKD VFEXLKDFLV ENKHLEKIVA IGHRVVHGGQ YFSKSVLINA DATA SEQUENCE DSLEKIKACI ALAPLHNPAH IEGIRFCQQI FPELPQVAVF DTAFHQTXPS DATA SEQUENCE YIAEYAIPYE LTHKHNIRKY GAHGTSHKYV SEQAAKILTQ QKANVIVAHL DATA SEQUENCE GNGCSITAVV DGKSIDTSXG LTPLDGLVXG TRSGCIDPSI FAYISDNLGW DATA SEQUENCE SVTEITNXLN KQSGLLGICG HNDXREVSQL AAKGDSLAKL AIEIFSHRVA DATA SEQUENCE KFVASYXIYF NKLDALVFTG GIGENAANIR KNIISKLANL GFXIDHQKNS DATA SEQUENCE NSETFINSKN SHNIXVIATN EELXIAQETQ NLI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.668 174.600 0.113 0.000 1.055 2 S CA 0.000 58.264 58.200 0.106 0.000 1.107 2 S CB 0.000 63.296 63.200 0.160 0.000 0.593 3 E N 1.546 121.787 120.200 0.069 0.000 2.299 3 E HA 0.739 5.089 4.350 -0.000 0.000 0.265 3 E C -0.979 175.622 176.600 0.002 0.000 0.911 3 E CA -1.018 55.408 56.400 0.043 0.000 0.789 3 E CB 1.925 31.657 29.700 0.053 0.000 1.246 3 E HN 0.504 nan 8.360 nan 0.000 0.427 4 I N 2.499 123.053 120.570 -0.026 0.000 2.406 4 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 4 I C -0.606 175.462 176.117 -0.081 0.000 0.999 4 I CA -0.836 60.427 61.300 -0.061 0.000 1.124 4 I CB 1.199 39.158 38.000 -0.069 0.000 1.289 4 I HN 0.433 nan 8.210 nan 0.000 0.441 5 L N 8.411 129.562 121.223 -0.121 0.000 2.315 5 L HA 0.362 4.702 4.340 -0.000 0.000 0.283 5 L C -0.500 176.285 176.870 -0.141 0.000 1.089 5 L CA 0.146 54.905 54.840 -0.134 0.000 0.833 5 L CB 0.885 42.810 42.059 -0.223 0.000 1.170 5 L HN 0.306 nan 8.230 nan 0.000 0.442 6 V N 6.995 126.853 119.914 -0.094 0.000 2.398 6 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 6 V C 0.079 176.137 176.094 -0.060 0.000 1.026 6 V CA -0.533 61.703 62.300 -0.107 0.000 0.868 6 V CB 1.476 33.243 31.823 -0.094 0.000 0.982 6 V HN 0.626 nan 8.190 nan 0.000 0.443 7 L N 4.072 125.242 121.223 -0.088 0.000 2.362 7 L HA 0.641 4.981 4.340 -0.000 0.000 0.271 7 L C -0.447 176.468 176.870 0.076 0.000 1.002 7 L CA -0.606 54.251 54.840 0.029 0.000 0.818 7 L CB 2.156 44.262 42.059 0.078 0.000 1.298 7 L HN 0.562 nan 8.230 nan 0.000 0.420 8 N N 1.320 120.094 118.700 0.123 0.000 2.617 8 N HA 0.308 5.048 4.740 -0.000 0.000 0.263 8 N C -1.405 174.254 175.510 0.248 0.000 1.074 8 N CA -0.325 52.828 53.050 0.171 0.000 0.841 8 N CB 1.037 39.584 38.487 0.100 0.000 1.221 8 N HN 0.495 nan 8.380 nan 0.000 0.529 9 C N 2.205 121.739 119.300 0.389 0.000 2.347 9 C HA 0.869 5.329 4.460 -0.000 0.000 0.353 9 C C 1.240 176.421 174.990 0.318 0.000 1.273 9 C CA -0.494 58.778 59.018 0.424 0.000 1.861 9 C CB -0.094 27.991 27.740 0.576 0.000 2.420 9 C HN 0.725 nan 8.230 nan 0.000 0.542 10 G N 1.590 110.553 108.800 0.271 0.000 2.667 10 G HA2 0.477 4.437 3.960 -0.000 0.000 0.310 10 G HA3 0.477 4.437 3.960 -0.000 0.000 0.310 10 G C 0.833 175.858 174.900 0.208 0.000 1.259 10 G CA 0.197 45.395 45.100 0.165 0.000 1.019 10 G HN 0.745 nan 8.290 nan 0.000 0.496 11 S N -0.925 114.837 115.700 0.103 0.000 2.383 11 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 11 S C 1.659 176.385 174.600 0.210 0.000 1.030 11 S CA 1.808 60.074 58.200 0.110 0.000 1.002 11 S CB -0.230 62.986 63.200 0.026 0.000 0.829 11 S HN 1.324 nan 8.310 nan 0.000 0.467 12 S N -0.012 115.780 115.700 0.154 0.000 3.021 12 S HA 0.514 4.984 4.470 -0.000 0.000 0.252 12 S C -0.073 174.534 174.600 0.010 0.000 0.996 12 S CA -0.102 58.165 58.200 0.111 0.000 1.084 12 S CB 0.116 63.351 63.200 0.058 0.000 1.021 12 S HN 0.745 nan 8.310 nan 0.000 0.566 13 S N -0.133 115.577 115.700 0.016 0.000 2.550 13 S HA 0.803 5.273 4.470 -0.000 0.000 0.270 13 S C -1.293 173.264 174.600 -0.072 0.000 1.145 13 S CA -0.762 57.394 58.200 -0.074 0.000 0.852 13 S CB 1.748 64.927 63.200 -0.035 0.000 1.119 13 S HN 0.402 nan 8.310 nan 0.000 0.465 14 V N 1.899 121.726 119.914 -0.146 0.000 2.482 14 V HA 0.530 4.650 4.120 -0.000 0.000 0.295 14 V C -0.340 175.732 176.094 -0.036 0.000 1.026 14 V CA -0.632 61.624 62.300 -0.073 0.000 0.856 14 V CB 1.593 33.269 31.823 -0.244 0.000 1.001 14 V HN 1.001 nan 8.190 nan 0.000 0.424 15 K N 5.479 125.869 120.400 -0.016 0.000 2.201 15 K HA 0.712 5.032 4.320 -0.000 0.000 0.278 15 K C -1.165 175.410 176.600 -0.041 0.000 1.027 15 K CA -0.341 55.869 56.287 -0.128 0.000 0.909 15 K CB 1.051 33.485 32.500 -0.111 0.000 1.062 15 K HN 0.586 nan 8.250 nan 0.000 0.465 16 F N 0.915 120.757 119.950 -0.181 0.000 2.613 16 F HA 0.836 5.362 4.527 -0.000 0.000 0.314 16 F C -1.363 174.341 175.800 -0.160 0.000 1.075 16 F CA -1.119 56.782 58.000 -0.166 0.000 0.945 16 F CB 1.590 40.475 39.000 -0.192 0.000 1.310 16 F HN 0.485 nan 8.300 nan 0.000 0.467 17 A N 2.123 124.984 122.820 0.069 0.000 2.566 17 A HA 0.702 5.022 4.320 -0.000 0.000 0.297 17 A C -2.525 175.065 177.584 0.011 0.000 1.059 17 A CA -0.608 51.421 52.037 -0.013 0.000 0.691 17 A CB 1.705 20.648 19.000 -0.094 0.000 1.282 17 A HN 0.825 nan 8.150 nan 0.000 0.401 18 L N 2.583 123.804 121.223 -0.005 0.000 2.276 18 L HA 0.676 5.015 4.340 -0.000 0.000 0.286 18 L C -0.762 176.087 176.870 -0.035 0.000 1.024 18 L CA -0.214 54.605 54.840 -0.035 0.000 0.826 18 L CB 0.536 42.541 42.059 -0.090 0.000 1.211 18 L HN 0.588 nan 8.230 nan 0.000 0.422 19 I N 4.074 124.623 120.570 -0.034 0.000 2.545 19 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 19 I C -0.219 175.893 176.117 -0.009 0.000 1.040 19 I CA -0.754 60.528 61.300 -0.029 0.000 1.068 19 I CB 2.023 39.992 38.000 -0.052 0.000 1.251 19 I HN 0.484 nan 8.210 nan 0.000 0.424 20 N N 7.929 126.636 118.700 0.012 0.000 2.420 20 N HA 0.242 4.982 4.740 -0.000 0.000 0.249 20 N C -2.065 173.452 175.510 0.012 0.000 1.033 20 N CA -1.853 51.223 53.050 0.043 0.000 0.944 20 N CB 1.782 40.313 38.487 0.073 0.000 1.113 20 N HN 0.247 nan 8.380 nan 0.000 0.502 21 P HA -0.021 nan 4.420 nan 0.000 0.221 21 P C 0.356 177.545 177.300 -0.186 0.000 1.150 21 P CA 1.256 64.265 63.100 -0.152 0.000 0.800 21 P CB 0.293 31.836 31.700 -0.262 0.000 0.787 22 H N -0.994 118.079 119.070 0.004 0.000 2.403 22 H HA -0.022 4.534 4.556 -0.000 0.000 0.298 22 H C 1.845 177.177 175.328 0.008 0.000 1.059 22 H CA 2.088 58.139 56.048 0.006 0.000 1.363 22 H CB -0.804 28.962 29.762 0.007 0.000 1.410 22 H HN 0.201 nan 8.280 nan 0.000 0.528 23 T N -3.543 111.081 114.554 0.116 0.000 3.044 23 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 23 T C 1.099 175.821 174.700 0.036 0.000 1.081 23 T CA 0.360 62.500 62.100 0.067 0.000 1.040 23 T CB 0.045 68.948 68.868 0.058 0.000 0.962 23 T HN 0.230 nan 8.240 nan 0.000 0.506 24 S N 0.700 116.412 115.700 0.021 0.000 3.382 24 S HA -0.144 4.326 4.470 -0.000 0.000 0.293 24 S C -0.045 174.556 174.600 0.001 0.000 1.262 24 S CA 0.525 58.727 58.200 0.005 0.000 0.969 24 S CB -1.393 61.816 63.200 0.016 0.000 1.136 24 S HN 0.678 nan 8.310 nan 0.000 0.635 25 Q N 1.105 120.911 119.800 0.009 0.000 2.259 25 Q HA 0.514 4.854 4.340 -0.000 0.000 0.249 25 Q C 0.148 176.145 176.000 -0.006 0.000 0.914 25 Q CA -0.019 55.787 55.803 0.004 0.000 0.904 25 Q CB 1.610 30.358 28.738 0.017 0.000 1.213 25 Q HN 0.323 nan 8.270 nan 0.000 0.428 26 S N 3.028 118.717 115.700 -0.019 0.000 2.404 26 S HA 0.281 4.751 4.470 -0.000 0.000 0.309 26 S C 1.016 175.608 174.600 -0.013 0.000 1.076 26 S CA -0.413 57.769 58.200 -0.030 0.000 1.095 26 S CB -0.052 63.116 63.200 -0.054 0.000 0.972 26 S HN 0.581 nan 8.310 nan 0.000 0.484 27 L N 4.806 126.029 121.223 -0.001 0.000 2.162 27 L HA 0.278 4.618 4.340 -0.000 0.000 0.205 27 L C -0.105 176.781 176.870 0.027 0.000 1.086 27 L CA 0.352 55.209 54.840 0.028 0.000 0.778 27 L CB -0.028 42.064 42.059 0.056 0.000 0.928 27 L HN 0.420 nan 8.230 nan 0.000 0.446 28 V N -0.922 118.989 119.914 -0.005 0.000 2.808 28 V HA 0.453 4.573 4.120 -0.000 0.000 0.308 28 V C -0.393 175.686 176.094 -0.025 0.000 1.099 28 V CA -0.634 61.681 62.300 0.025 0.000 0.920 28 V CB 1.941 33.809 31.823 0.075 0.000 1.014 28 V HN 0.274 nan 8.190 nan 0.000 0.425 29 T N 0.384 114.878 114.554 -0.101 0.000 2.916 29 T HA 0.999 5.349 4.350 -0.000 0.000 0.292 29 T C -0.187 174.184 174.700 -0.550 0.000 1.064 29 T CA -0.264 61.666 62.100 -0.283 0.000 1.011 29 T CB 2.332 71.051 68.868 -0.248 0.000 1.152 29 T HN 1.552 nan 8.240 nan 0.000 0.510 30 G N -0.280 107.852 108.800 -1.114 0.000 2.451 30 G HA2 0.562 4.522 3.960 -0.000 0.000 0.292 30 G HA3 0.562 4.522 3.960 -0.000 0.000 0.292 30 G C -2.474 171.492 174.900 -1.556 0.000 1.427 30 G CA -0.714 43.455 45.100 -1.552 0.000 0.792 30 G HN 1.185 nan 8.290 nan 0.000 0.498 31 L N 0.092 120.723 121.223 -0.987 0.000 2.614 31 L HA 0.805 5.145 4.340 -0.000 0.000 0.264 31 L C -0.216 176.454 176.870 -0.333 0.000 0.940 31 L CA -0.340 54.182 54.840 -0.530 0.000 0.903 31 L CB 1.557 43.391 42.059 -0.374 0.000 1.306 31 L HN 1.440 nan 8.230 nan 0.000 0.410 32 A N 4.387 127.080 122.820 -0.210 0.000 2.301 32 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 32 A C -0.438 177.024 177.584 -0.204 0.000 1.185 32 A CA -0.156 51.743 52.037 -0.230 0.000 0.830 32 A CB 0.452 19.287 19.000 -0.276 0.000 1.112 32 A HN 0.776 nan 8.150 nan 0.000 0.508 33 E N 1.647 121.740 120.200 -0.177 0.000 2.446 33 E HA 0.487 4.837 4.350 -0.000 0.000 0.276 33 E C -0.736 175.808 176.600 -0.092 0.000 0.969 33 E CA -1.256 55.069 56.400 -0.125 0.000 0.800 33 E CB 0.719 30.356 29.700 -0.105 0.000 1.341 33 E HN 0.419 nan 8.360 nan 0.000 0.460 34 N N 0.038 118.705 118.700 -0.054 0.000 2.725 34 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 34 N C -0.405 175.088 175.510 -0.027 0.000 1.103 34 N CA 0.948 53.983 53.050 -0.026 0.000 0.707 34 N CB -1.725 36.755 38.487 -0.011 0.000 1.043 34 N HN 0.574 nan 8.380 nan 0.000 0.553 35 I N 0.498 121.039 120.570 -0.049 0.000 2.752 35 I HA 0.061 4.231 4.170 -0.000 0.000 0.287 35 I C 1.494 177.622 176.117 0.018 0.000 1.188 35 I CA 0.843 62.113 61.300 -0.050 0.000 1.427 35 I CB 0.301 38.226 38.000 -0.125 0.000 1.365 35 I HN 0.368 nan 8.210 nan 0.000 0.585 36 A N 3.365 126.202 122.820 0.028 0.000 2.905 36 A HA -0.175 4.145 4.320 -0.000 0.000 0.260 36 A C 0.520 178.125 177.584 0.035 0.000 1.398 36 A CA 1.245 53.311 52.037 0.049 0.000 0.840 36 A CB -2.457 16.592 19.000 0.081 0.000 1.059 36 A HN 0.955 nan 8.150 nan 0.000 0.647 37 T N -3.941 110.627 114.554 0.024 0.000 2.864 37 T HA 0.671 5.021 4.350 -0.000 0.000 0.289 37 T C 0.761 175.476 174.700 0.025 0.000 1.082 37 T CA -0.060 62.053 62.100 0.023 0.000 1.009 37 T CB 1.441 70.320 68.868 0.019 0.000 1.234 37 T HN 0.862 nan 8.240 nan 0.000 0.526 38 K N 0.302 120.717 120.400 0.025 0.000 2.439 38 K HA 0.061 4.381 4.320 -0.000 0.000 0.197 38 K C 0.809 177.437 176.600 0.046 0.000 1.041 38 K CA 0.663 56.967 56.287 0.029 0.000 0.970 38 K CB -0.226 32.286 32.500 0.019 0.000 0.773 38 K HN 0.339 nan 8.250 nan 0.000 0.479 39 N N 1.030 119.758 118.700 0.047 0.000 2.268 39 N HA 0.006 4.746 4.740 -0.000 0.000 0.204 39 N C -0.312 175.242 175.510 0.075 0.000 1.124 39 N CA -0.151 52.944 53.050 0.075 0.000 0.838 39 N CB 0.023 38.542 38.487 0.054 0.000 0.994 39 N HN 0.225 nan 8.380 nan 0.000 0.489 40 C N 2.760 122.087 119.300 0.045 0.000 2.538 40 C HA 0.144 4.604 4.460 -0.000 0.000 0.408 40 C C 0.490 175.473 174.990 -0.010 0.000 1.421 40 C CA 0.076 59.093 59.018 -0.001 0.000 1.642 40 C CB -1.435 26.298 27.740 -0.013 0.000 2.553 40 C HN 0.503 nan 8.230 nan 0.000 0.604 41 K N 4.247 124.581 120.400 -0.110 0.000 2.575 41 K HA 0.758 5.078 4.320 -0.000 0.000 0.279 41 K C -2.024 174.423 176.600 -0.255 0.000 0.969 41 K CA -0.938 55.207 56.287 -0.237 0.000 0.868 41 K CB 1.324 33.547 32.500 -0.461 0.000 1.457 41 K HN 0.304 nan 8.250 nan 0.000 0.426 42 V N 1.616 121.363 119.914 -0.278 0.000 2.483 42 V HA 0.351 4.471 4.120 -0.000 0.000 0.297 42 V C -0.762 175.088 176.094 -0.405 0.000 1.027 42 V CA -0.907 61.185 62.300 -0.346 0.000 0.855 42 V CB 1.642 33.258 31.823 -0.345 0.000 0.995 42 V HN 0.602 nan 8.190 nan 0.000 0.424 43 V N 5.494 125.133 119.914 -0.459 0.000 2.394 43 V HA 0.511 4.630 4.120 -0.000 0.000 0.282 43 V C -0.584 175.207 176.094 -0.504 0.000 1.031 43 V CA -0.274 61.815 62.300 -0.352 0.000 0.881 43 V CB 1.201 32.856 31.823 -0.280 0.000 0.982 43 V HN 0.669 nan 8.190 nan 0.000 0.451 44 F N 3.800 123.664 119.950 -0.143 0.000 2.444 44 F HA 0.551 5.077 4.527 -0.000 0.000 0.342 44 F C 0.518 176.254 175.800 -0.106 0.000 1.121 44 F CA -0.710 57.180 58.000 -0.182 0.000 0.997 44 F CB 1.649 40.461 39.000 -0.312 0.000 1.130 44 F HN 0.274 nan 8.300 nan 0.000 0.454 45 K N 3.347 123.762 120.400 0.026 0.000 2.464 45 K HA 0.743 5.063 4.320 -0.000 0.000 0.252 45 K C -0.254 176.391 176.600 0.074 0.000 1.000 45 K CA -0.398 55.907 56.287 0.032 0.000 0.951 45 K CB 1.842 34.307 32.500 -0.057 0.000 1.183 45 K HN 0.746 nan 8.250 nan 0.000 0.445 46 A N 1.861 124.765 122.820 0.140 0.000 3.533 46 A HA 0.245 4.565 4.320 -0.000 0.000 0.189 46 A C 1.140 178.749 177.584 0.043 0.000 1.339 46 A CA -0.197 51.922 52.037 0.138 0.000 1.552 46 A CB -0.032 19.127 19.000 0.264 0.000 1.591 46 A HN 0.534 nan 8.150 nan 0.000 0.603 47 E N 0.470 120.678 120.200 0.013 0.000 2.058 47 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 47 E C 0.001 176.376 176.600 -0.375 0.000 0.997 47 E CA 1.160 57.451 56.400 -0.182 0.000 0.801 47 E CB -0.232 29.357 29.700 -0.186 0.000 0.746 47 E HN 0.575 nan 8.360 nan 0.000 0.450 48 H N -0.927 118.187 119.070 0.073 0.000 2.834 48 H HA 0.323 4.879 4.556 -0.000 0.000 0.369 48 H C -0.208 175.168 175.328 0.079 0.000 1.174 48 H CA -0.779 55.306 56.048 0.062 0.000 1.165 48 H CB 1.439 31.234 29.762 0.055 0.000 1.820 48 H HN -0.137 nan 8.280 nan 0.000 0.558 49 K N 1.772 122.290 120.400 0.197 0.000 2.276 49 K HA 0.410 4.730 4.320 -0.000 0.000 0.283 49 K C -0.870 175.817 176.600 0.146 0.000 1.044 49 K CA -0.217 56.149 56.287 0.132 0.000 0.944 49 K CB 0.325 32.869 32.500 0.074 0.000 1.012 49 K HN 0.417 nan 8.250 nan 0.000 0.472 50 I N 4.274 124.945 120.570 0.168 0.000 2.499 50 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 50 I C -1.050 175.170 176.117 0.172 0.000 1.048 50 I CA -1.203 60.204 61.300 0.177 0.000 1.062 50 I CB 2.213 40.345 38.000 0.220 0.000 1.238 50 I HN 0.272 nan 8.210 nan 0.000 0.426 51 V N 6.279 126.249 119.914 0.095 0.000 2.384 51 V HA 0.396 4.516 4.120 -0.000 0.000 0.287 51 V C -0.210 175.865 176.094 -0.031 0.000 1.020 51 V CA -0.781 61.500 62.300 -0.031 0.000 0.850 51 V CB 1.594 33.343 31.823 -0.123 0.000 0.987 51 V HN 0.613 nan 8.190 nan 0.000 0.436 52 K N 4.858 125.227 120.400 -0.052 0.000 2.339 52 K HA 0.550 4.870 4.320 -0.000 0.000 0.264 52 K C -1.428 175.097 176.600 -0.124 0.000 0.986 52 K CA -0.585 55.717 56.287 0.025 0.000 0.866 52 K CB 1.766 34.376 32.500 0.184 0.000 1.103 52 K HN 0.528 nan 8.250 nan 0.000 0.441 53 Y N 1.781 122.107 120.300 0.044 0.000 2.320 53 Y HA 0.350 4.900 4.550 -0.000 0.000 0.324 53 Y C -0.003 175.906 175.900 0.016 0.000 1.190 53 Y CA -0.811 57.300 58.100 0.018 0.000 1.215 53 Y CB 1.000 39.467 38.460 0.013 0.000 1.221 53 Y HN 0.355 nan 8.280 nan 0.000 0.486 54 L N 3.561 124.872 121.223 0.146 0.000 2.492 54 L HA 0.298 4.638 4.340 -0.000 0.000 0.259 54 L C -0.865 176.046 176.870 0.068 0.000 1.229 54 L CA -0.394 54.496 54.840 0.082 0.000 0.903 54 L CB 0.588 42.666 42.059 0.033 0.000 1.114 54 L HN 0.579 nan 8.230 nan 0.000 0.494 55 E N 3.451 123.695 120.200 0.074 0.000 2.480 55 E HA 0.026 4.376 4.350 -0.000 0.000 0.258 55 E C 0.106 176.728 176.600 0.036 0.000 0.984 55 E CA 0.248 56.680 56.400 0.053 0.000 0.930 55 E CB 0.230 29.953 29.700 0.038 0.000 0.936 55 E HN 0.523 nan 8.360 nan 0.000 0.466 56 N N 0.921 119.639 118.700 0.031 0.000 2.782 56 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 56 N C 0.071 175.595 175.510 0.025 0.000 1.101 56 N CA 1.154 54.220 53.050 0.027 0.000 0.764 56 N CB -1.550 36.953 38.487 0.026 0.000 1.122 56 N HN 0.676 nan 8.380 nan 0.000 0.561 57 G N 0.440 109.250 108.800 0.016 0.000 2.340 57 G HA2 0.338 4.298 3.960 -0.000 0.000 0.245 57 G HA3 0.338 4.298 3.960 -0.000 0.000 0.245 57 G C 0.662 175.563 174.900 0.003 0.000 1.294 57 G CA 0.549 45.650 45.100 0.002 0.000 0.896 57 G HN 0.411 nan 8.290 nan 0.000 0.522 58 S N 2.035 117.744 115.700 0.016 0.000 2.681 58 S HA 0.227 4.697 4.470 -0.000 0.000 0.270 58 S C 1.126 175.741 174.600 0.025 0.000 1.209 58 S CA -0.619 57.615 58.200 0.056 0.000 0.988 58 S CB 0.785 64.037 63.200 0.086 0.000 1.006 58 S HN 0.544 nan 8.310 nan 0.000 0.558 59 Y N 0.932 121.215 120.300 -0.029 0.000 2.165 59 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 59 Y C 2.691 178.370 175.900 -0.368 0.000 1.155 59 Y CA 2.280 60.322 58.100 -0.096 0.000 1.164 59 Y CB -0.161 38.350 38.460 0.085 0.000 0.978 59 Y HN 0.824 nan 8.280 nan 0.000 0.513 60 K N 0.035 120.241 120.400 -0.324 0.000 2.057 60 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 60 K C 1.566 178.074 176.600 -0.154 0.000 1.049 60 K CA 1.891 57.897 56.287 -0.468 0.000 0.931 60 K CB -0.189 32.263 32.500 -0.080 0.000 0.714 60 K HN 0.229 nan 8.250 nan 0.000 0.440 61 D N 0.476 120.829 120.400 -0.078 0.000 2.123 61 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 61 D C 1.980 178.231 176.300 -0.082 0.000 0.992 61 D CA 1.121 55.092 54.000 -0.049 0.000 0.833 61 D CB -0.232 40.551 40.800 -0.028 0.000 0.954 61 D HN 0.055 nan 8.370 nan 0.000 0.455 62 V N 0.563 120.384 119.914 -0.156 0.000 2.295 62 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 62 V C 2.216 178.140 176.094 -0.284 0.000 1.049 62 V CA 1.361 63.506 62.300 -0.259 0.000 1.024 62 V CB -0.582 30.984 31.823 -0.429 0.000 0.648 62 V HN 0.073 nan 8.190 nan 0.000 0.447 63 F N 0.111 119.926 119.950 -0.224 0.000 2.171 63 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 63 F C 1.671 177.405 175.800 -0.109 0.000 1.090 63 F CA 0.926 58.836 58.000 -0.149 0.000 1.293 63 F CB -0.252 38.645 39.000 -0.171 0.000 1.013 63 F HN 0.229 nan 8.300 nan 0.000 0.486 67 K N 0.429 120.951 120.400 0.203 0.000 2.032 67 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 67 K C 1.298 178.000 176.600 0.170 0.000 1.048 67 K CA 2.304 58.738 56.287 0.246 0.000 0.927 67 K CB -0.140 32.400 32.500 0.066 0.000 0.712 67 K HN 0.462 nan 8.250 nan 0.000 0.441 68 D N 0.147 120.612 120.400 0.109 0.000 2.116 68 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 68 D C 1.635 177.972 176.300 0.062 0.000 0.998 68 D CA 1.170 55.211 54.000 0.067 0.000 0.836 68 D CB -0.367 40.461 40.800 0.048 0.000 0.951 68 D HN 0.259 nan 8.370 nan 0.000 0.449 69 F N 1.128 121.035 119.950 -0.070 0.000 2.102 69 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 69 F C 2.150 177.937 175.800 -0.021 0.000 1.105 69 F CA 1.128 59.031 58.000 -0.161 0.000 1.239 69 F CB -0.264 38.502 39.000 -0.390 0.000 0.991 69 F HN -0.107 nan 8.300 nan 0.000 0.474 70 L N -0.691 120.688 121.223 0.261 0.000 2.083 70 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 70 L C 2.338 179.259 176.870 0.086 0.000 1.083 70 L CA 0.915 55.895 54.840 0.234 0.000 0.752 70 L CB -0.883 41.337 42.059 0.268 0.000 0.899 70 L HN 0.058 nan 8.230 nan 0.000 0.433 71 V N -0.585 119.363 119.914 0.056 0.000 2.270 71 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 71 V C 2.530 178.581 176.094 -0.072 0.000 1.043 71 V CA 1.537 63.842 62.300 0.009 0.000 1.014 71 V CB -0.431 31.406 31.823 0.025 0.000 0.645 71 V HN 0.387 nan 8.190 nan 0.000 0.447 72 E N 0.592 120.722 120.200 -0.117 0.000 2.118 72 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 72 E C 1.670 178.130 176.600 -0.233 0.000 0.992 72 E CA 1.082 57.383 56.400 -0.166 0.000 0.804 72 E CB -0.449 29.140 29.700 -0.185 0.000 0.741 72 E HN 0.605 nan 8.360 nan 0.000 0.458 73 N N 0.729 119.228 118.700 -0.334 0.000 2.268 73 N HA 0.012 4.752 4.740 -0.000 0.000 0.204 73 N C -0.454 174.815 175.510 -0.402 0.000 1.124 73 N CA 0.021 52.843 53.050 -0.381 0.000 0.838 73 N CB 0.440 38.608 38.487 -0.531 0.000 0.994 73 N HN 0.103 nan 8.380 nan 0.000 0.489 74 K N -0.254 119.992 120.400 -0.258 0.000 3.096 74 K HA -0.213 4.107 4.320 -0.000 0.000 0.266 74 K C -0.099 176.333 176.600 -0.281 0.000 1.043 74 K CA 0.514 56.672 56.287 -0.216 0.000 0.758 74 K CB -1.673 30.709 32.500 -0.197 0.000 1.260 74 K HN 0.512 nan 8.250 nan 0.000 0.481 75 H N -0.722 118.328 119.070 -0.033 0.000 2.516 75 H HA 0.075 4.630 4.556 -0.000 0.000 0.284 75 H C 1.904 177.242 175.328 0.016 0.000 0.999 75 H CA 0.526 56.577 56.048 0.005 0.000 1.303 75 H CB 0.211 29.999 29.762 0.044 0.000 1.452 75 H HN 0.159 nan 8.280 nan 0.000 0.530 76 L N 1.305 122.609 121.223 0.135 0.000 2.043 76 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 76 L C 1.811 178.727 176.870 0.076 0.000 1.075 76 L CA 1.783 56.692 54.840 0.115 0.000 0.752 76 L CB -0.311 41.831 42.059 0.137 0.000 0.891 76 L HN 0.207 nan 8.230 nan 0.000 0.432 77 E N -0.030 120.200 120.200 0.051 0.000 2.204 77 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 77 E C 2.084 178.704 176.600 0.033 0.000 0.990 77 E CA 1.110 57.530 56.400 0.034 0.000 0.821 77 E CB -0.115 29.592 29.700 0.012 0.000 0.750 77 E HN 0.602 nan 8.360 nan 0.000 0.477 78 K N -0.036 120.390 120.400 0.043 0.000 2.361 78 K HA 0.146 4.466 4.320 -0.000 0.000 0.196 78 K C 0.827 177.454 176.600 0.045 0.000 1.039 78 K CA 0.037 56.352 56.287 0.047 0.000 1.001 78 K CB 0.400 32.940 32.500 0.066 0.000 0.795 78 K HN 0.061 nan 8.250 nan 0.000 0.495 79 I N 2.167 122.758 120.570 0.036 0.000 2.471 79 I HA -0.072 4.098 4.170 -0.000 0.000 0.286 79 I C 1.267 177.383 176.117 -0.002 0.000 1.079 79 I CA -0.204 61.096 61.300 0.001 0.000 1.398 79 I CB 1.268 39.236 38.000 -0.052 0.000 1.403 79 I HN -0.086 nan 8.210 nan 0.000 0.530 80 V N 2.896 122.809 119.914 -0.002 0.000 3.661 80 V HA 0.644 4.764 4.120 -0.000 0.000 0.271 80 V C 0.548 176.638 176.094 -0.007 0.000 1.315 80 V CA 0.424 62.729 62.300 0.008 0.000 1.072 80 V CB -0.061 31.779 31.823 0.028 0.000 0.830 80 V HN 0.784 nan 8.190 nan 0.000 0.443 81 A N -0.096 122.703 122.820 -0.036 0.000 2.586 81 A HA 0.792 5.112 4.320 -0.000 0.000 0.291 81 A C -1.519 176.009 177.584 -0.094 0.000 1.062 81 A CA -0.585 51.425 52.037 -0.045 0.000 0.666 81 A CB 1.066 20.050 19.000 -0.028 0.000 1.281 81 A HN 0.256 nan 8.150 nan 0.000 0.421 82 I N 1.127 121.640 120.570 -0.094 0.000 2.436 82 I HA 0.560 4.730 4.170 -0.000 0.000 0.289 82 I C 0.604 176.616 176.117 -0.176 0.000 1.010 82 I CA -0.599 60.596 61.300 -0.175 0.000 1.098 82 I CB 2.163 40.053 38.000 -0.182 0.000 1.266 82 I HN 0.798 nan 8.210 nan 0.000 0.434 83 G N 4.855 113.520 108.800 -0.225 0.000 2.372 83 G HA2 0.483 4.443 3.960 -0.000 0.000 0.323 83 G HA3 0.483 4.443 3.960 -0.000 0.000 0.323 83 G C -0.777 173.954 174.900 -0.281 0.000 1.152 83 G CA -0.314 44.677 45.100 -0.183 0.000 0.906 83 G HN 0.587 nan 8.290 nan 0.000 0.460 84 H N 1.624 120.623 119.070 -0.119 0.000 2.481 84 H HA 0.284 4.840 4.556 -0.000 0.000 0.333 84 H C -0.061 175.135 175.328 -0.219 0.000 1.066 84 H CA -0.613 55.367 56.048 -0.114 0.000 1.209 84 H CB 2.229 31.931 29.762 -0.100 0.000 1.445 84 H HN 0.470 nan 8.280 nan 0.000 0.488 85 R N 2.657 123.109 120.500 -0.080 0.000 2.370 85 R HA 0.244 4.584 4.340 -0.000 0.000 0.309 85 R C -1.107 174.920 176.300 -0.455 0.000 1.059 85 R CA -0.253 55.730 56.100 -0.195 0.000 0.981 85 R CB 0.197 30.440 30.300 -0.094 0.000 0.972 85 R HN 0.287 nan 8.270 nan 0.000 0.437 86 V N 6.202 125.796 119.914 -0.534 0.000 2.444 86 V HA 0.106 4.226 4.120 -0.000 0.000 0.294 86 V C 1.036 176.977 176.094 -0.255 0.000 1.022 86 V CA -0.637 61.246 62.300 -0.695 0.000 0.850 86 V CB 1.706 33.279 31.823 -0.417 0.000 0.992 86 V HN 0.736 nan 8.190 nan 0.000 0.426 87 V N 2.963 122.833 119.914 -0.073 0.000 2.295 87 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 87 V C 0.877 177.055 176.094 0.141 0.000 1.049 87 V CA 1.581 63.939 62.300 0.097 0.000 1.024 87 V CB -0.361 31.515 31.823 0.088 0.000 0.648 87 V HN 0.825 nan 8.190 nan 0.000 0.447 88 H N -0.839 118.349 119.070 0.198 0.000 2.589 88 H HA 0.473 5.029 4.556 -0.000 0.000 0.335 88 H C 0.540 175.994 175.328 0.209 0.000 1.019 88 H CA 0.368 56.503 56.048 0.145 0.000 1.213 88 H CB 1.707 31.506 29.762 0.063 0.000 1.472 88 H HN 0.176 nan 8.280 nan 0.000 0.508 89 G N 2.465 111.395 108.800 0.216 0.000 3.324 89 G HA2 0.286 4.246 3.960 -0.000 0.000 0.251 89 G HA3 0.286 4.246 3.960 -0.000 0.000 0.251 89 G C 0.912 175.885 174.900 0.123 0.000 1.072 89 G CA 0.287 45.435 45.100 0.080 0.000 0.787 89 G HN 0.967 nan 8.290 nan 0.000 0.537 90 G N 1.060 109.927 108.800 0.111 0.000 2.602 90 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.306 90 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.306 90 G C 0.836 175.654 174.900 -0.136 0.000 1.301 90 G CA 0.620 45.565 45.100 -0.259 0.000 0.974 90 G HN 0.422 nan 8.290 nan 0.000 0.547 91 Q N -0.369 119.309 119.800 -0.202 0.000 2.444 91 Q HA 0.188 4.528 4.340 -0.000 0.000 0.206 91 Q C 2.036 177.851 176.000 -0.308 0.000 0.948 91 Q CA 0.513 56.228 55.803 -0.146 0.000 0.946 91 Q CB 0.093 28.737 28.738 -0.157 0.000 1.027 91 Q HN 0.642 nan 8.270 nan 0.000 0.513 92 Y N -0.945 119.166 120.300 -0.315 0.000 2.286 92 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 92 Y C 0.369 175.786 175.900 -0.805 0.000 1.124 92 Y CA 0.554 58.248 58.100 -0.677 0.000 1.178 92 Y CB 0.360 38.148 38.460 -1.120 0.000 1.010 92 Y HN -0.044 nan 8.280 nan 0.000 0.536 93 F N -0.681 119.200 119.950 -0.115 0.000 2.493 93 F HA 0.335 4.862 4.527 -0.000 0.000 0.329 93 F C 0.706 176.448 175.800 -0.097 0.000 1.126 93 F CA -1.180 56.695 58.000 -0.208 0.000 0.937 93 F CB 1.657 40.218 39.000 -0.733 0.000 1.146 93 F HN -0.224 nan 8.300 nan 0.000 0.442 94 S N 0.934 116.731 115.700 0.160 0.000 2.603 94 S HA 0.303 4.773 4.470 -0.000 0.000 0.232 94 S C -0.070 174.632 174.600 0.169 0.000 1.016 94 S CA -0.377 57.900 58.200 0.129 0.000 0.976 94 S CB -0.230 63.008 63.200 0.065 0.000 0.921 94 S HN 0.691 nan 8.310 nan 0.000 0.516 95 K N -0.279 120.260 120.400 0.232 0.000 2.466 95 K HA 0.638 4.958 4.320 -0.000 0.000 0.277 95 K C -1.126 175.652 176.600 0.297 0.000 1.039 95 K CA -0.813 55.607 56.287 0.222 0.000 0.904 95 K CB 0.724 33.318 32.500 0.157 0.000 1.506 95 K HN -0.082 nan 8.250 nan 0.000 0.441 96 S N 0.284 116.099 115.700 0.191 0.000 2.592 96 S HA 0.431 4.901 4.470 -0.000 0.000 0.271 96 S C -0.200 174.466 174.600 0.110 0.000 1.326 96 S CA -0.551 57.718 58.200 0.114 0.000 1.024 96 S CB 0.910 64.106 63.200 -0.007 0.000 0.921 96 S HN 0.539 nan 8.310 nan 0.000 0.527 97 V N 0.125 120.062 119.914 0.039 0.000 3.049 97 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 97 V C -0.665 175.422 176.094 -0.010 0.000 1.148 97 V CA -1.274 61.057 62.300 0.051 0.000 0.990 97 V CB 1.114 32.999 31.823 0.103 0.000 1.039 97 V HN 0.749 nan 8.190 nan 0.000 0.430 98 L N 3.351 124.587 121.223 0.021 0.000 2.485 98 L HA 0.250 4.590 4.340 -0.000 0.000 0.275 98 L C 0.098 176.972 176.870 0.006 0.000 1.207 98 L CA -0.222 54.625 54.840 0.012 0.000 0.855 98 L CB 0.365 42.440 42.059 0.027 0.000 1.114 98 L HN 0.506 nan 8.230 nan 0.000 0.485 99 I N 3.585 124.151 120.570 -0.007 0.000 2.436 99 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 99 I C 0.051 176.170 176.117 0.004 0.000 1.083 99 I CA 0.330 61.621 61.300 -0.015 0.000 1.372 99 I CB -0.199 37.779 38.000 -0.036 0.000 1.408 99 I HN 0.739 nan 8.210 nan 0.000 0.516 100 N N 4.225 122.932 118.700 0.011 0.000 3.344 100 N HA 0.510 5.250 4.740 -0.000 0.000 0.296 100 N C 0.456 175.971 175.510 0.010 0.000 1.571 100 N CA -0.371 52.686 53.050 0.012 0.000 0.844 100 N CB 0.380 38.881 38.487 0.022 0.000 1.718 100 N HN 0.248 nan 8.380 nan 0.000 0.589 101 A N -0.330 122.493 122.820 0.005 0.000 1.917 101 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 101 A C 1.645 179.229 177.584 0.001 0.000 1.182 101 A CA 2.532 54.568 52.037 -0.002 0.000 0.633 101 A CB -1.379 17.618 19.000 -0.004 0.000 0.819 101 A HN 0.846 nan 8.150 nan 0.000 0.448 102 D N -0.462 119.946 120.400 0.014 0.000 2.084 102 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 102 D C 2.335 178.658 176.300 0.038 0.000 0.985 102 D CA 2.104 56.110 54.000 0.011 0.000 0.826 102 D CB -0.056 40.758 40.800 0.022 0.000 0.978 102 D HN 0.488 nan 8.370 nan 0.000 0.456 103 S N -0.353 115.410 115.700 0.105 0.000 2.402 103 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 103 S C 1.985 176.663 174.600 0.131 0.000 1.021 103 S CA 0.472 58.802 58.200 0.217 0.000 0.974 103 S CB -0.511 62.786 63.200 0.161 0.000 0.800 103 S HN 0.236 nan 8.310 nan 0.000 0.484 104 L N 2.269 123.521 121.223 0.047 0.000 2.056 104 L HA 0.082 4.421 4.340 -0.000 0.000 0.207 104 L C 2.670 179.544 176.870 0.007 0.000 1.078 104 L CA 1.958 56.807 54.840 0.016 0.000 0.749 104 L CB -1.085 40.964 42.059 -0.017 0.000 0.901 104 L HN 0.506 nan 8.230 nan 0.000 0.433 105 E N -0.592 119.598 120.200 -0.016 0.000 2.085 105 E HA -0.279 4.070 4.350 -0.000 0.000 0.194 105 E C 2.068 178.613 176.600 -0.093 0.000 0.994 105 E CA 1.544 57.915 56.400 -0.049 0.000 0.801 105 E CB 0.039 29.702 29.700 -0.063 0.000 0.743 105 E HN 0.473 nan 8.360 nan 0.000 0.453 106 K N 0.051 120.366 120.400 -0.143 0.000 2.062 106 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 106 K C 2.211 178.803 176.600 -0.014 0.000 1.051 106 K CA 1.227 57.304 56.287 -0.350 0.000 0.941 106 K CB -0.068 32.036 32.500 -0.660 0.000 0.719 106 K HN 0.201 nan 8.250 nan 0.000 0.440 107 I N 1.481 122.139 120.570 0.147 0.000 2.226 107 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 107 I C 2.542 178.736 176.117 0.129 0.000 1.100 107 I CA 1.235 62.659 61.300 0.207 0.000 1.374 107 I CB -0.181 37.935 38.000 0.193 0.000 1.057 107 I HN 0.152 nan 8.210 nan 0.000 0.413 108 K N 1.320 121.758 120.400 0.063 0.000 2.057 108 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 108 K C 2.201 178.827 176.600 0.043 0.000 1.049 108 K CA 1.469 57.778 56.287 0.038 0.000 0.931 108 K CB -0.109 32.395 32.500 0.006 0.000 0.714 108 K HN 0.298 nan 8.250 nan 0.000 0.440 109 A N 0.498 123.343 122.820 0.042 0.000 1.972 109 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 109 A C 2.151 179.793 177.584 0.096 0.000 1.169 109 A CA 1.531 53.612 52.037 0.073 0.000 0.635 109 A CB -0.722 18.339 19.000 0.101 0.000 0.810 109 A HN 0.546 nan 8.150 nan 0.000 0.446 110 C N -0.635 118.736 119.300 0.119 0.000 2.576 110 C HA 0.192 4.652 4.460 -0.000 0.000 0.267 110 C C 2.283 177.276 174.990 0.005 0.000 1.364 110 C CA -0.082 58.974 59.018 0.062 0.000 1.723 110 C CB -1.688 26.145 27.740 0.155 0.000 1.778 110 C HN 0.624 nan 8.230 nan 0.000 0.572 111 I N 1.692 122.287 120.570 0.041 0.000 2.264 111 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 111 I C 2.727 178.840 176.117 -0.007 0.000 1.111 111 I CA 1.708 63.025 61.300 0.029 0.000 1.382 111 I CB -0.383 37.632 38.000 0.026 0.000 1.060 111 I HN 0.335 nan 8.210 nan 0.000 0.418 112 A N 0.658 123.468 122.820 -0.016 0.000 1.940 112 A HA -0.176 4.143 4.320 -0.000 0.000 0.219 112 A C 2.255 179.797 177.584 -0.070 0.000 1.176 112 A CA 1.551 53.573 52.037 -0.025 0.000 0.631 112 A CB -0.694 18.302 19.000 -0.006 0.000 0.814 112 A HN 0.436 nan 8.150 nan 0.000 0.446 113 L N -1.930 119.191 121.223 -0.171 0.000 2.209 113 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 113 L C 1.471 178.171 176.870 -0.284 0.000 1.094 113 L CA 0.796 55.430 54.840 -0.343 0.000 0.790 113 L CB -0.092 41.479 42.059 -0.813 0.000 0.932 113 L HN 0.366 nan 8.230 nan 0.000 0.447 114 A N -0.460 122.266 122.820 -0.157 0.000 3.258 114 A HA 0.394 4.714 4.320 -0.000 0.000 0.318 114 A C -1.904 175.752 177.584 0.119 0.000 0.990 114 A CA -0.905 51.189 52.037 0.095 0.000 0.885 114 A CB -0.045 19.107 19.000 0.253 0.000 1.090 114 A HN -0.066 nan 8.150 nan 0.000 0.479 115 P HA -0.115 nan 4.420 nan 0.000 0.222 115 P C 1.024 178.317 177.300 -0.011 0.000 1.147 115 P CA 0.851 63.965 63.100 0.022 0.000 0.790 115 P CB 0.190 31.897 31.700 0.011 0.000 0.780 116 L N -1.897 119.304 121.223 -0.036 0.000 2.591 116 L HA 0.059 4.399 4.340 -0.000 0.000 0.228 116 L C 2.200 178.797 176.870 -0.456 0.000 1.133 116 L CA 0.436 55.138 54.840 -0.229 0.000 0.880 116 L CB -0.556 41.328 42.059 -0.291 0.000 1.033 116 L HN 0.123 nan 8.230 nan 0.000 0.450 117 H N -2.107 116.956 119.070 -0.011 0.000 2.176 117 H HA 0.162 4.718 4.556 -0.000 0.000 0.228 117 H C 1.278 176.457 175.328 -0.249 0.000 0.879 117 H CA 0.148 56.143 56.048 -0.089 0.000 1.027 117 H CB 0.202 30.026 29.762 0.102 0.000 1.356 117 H HN 0.137 nan 8.280 nan 0.000 0.425 118 N N 1.616 120.394 118.700 0.131 0.000 2.223 118 N HA -0.072 4.668 4.740 -0.000 0.000 0.185 118 N C -1.254 174.277 175.510 0.035 0.000 1.016 118 N CA 0.732 53.887 53.050 0.176 0.000 0.863 118 N CB -1.090 37.535 38.487 0.231 0.000 0.983 118 N HN 0.293 nan 8.380 nan 0.000 0.429 119 P HA -0.100 nan 4.420 nan 0.000 0.215 119 P C 1.007 178.256 177.300 -0.086 0.000 1.157 119 P CA 1.569 64.640 63.100 -0.050 0.000 0.868 119 P CB -0.034 31.632 31.700 -0.058 0.000 0.788 120 A N -0.815 121.923 122.820 -0.137 0.000 1.930 120 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 120 A C 2.063 179.639 177.584 -0.012 0.000 1.175 120 A CA 1.440 53.404 52.037 -0.121 0.000 0.627 120 A CB -1.678 17.272 19.000 -0.083 0.000 0.815 120 A HN 0.210 nan 8.150 nan 0.000 0.443 121 H N 0.133 119.257 119.070 0.090 0.000 2.319 121 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 121 H C 2.085 177.412 175.328 -0.002 0.000 1.092 121 H CA 1.730 57.831 56.048 0.087 0.000 1.302 121 H CB -0.556 29.255 29.762 0.080 0.000 1.373 121 H HN 0.518 nan 8.280 nan 0.000 0.497 122 I N 0.614 121.235 120.570 0.084 0.000 2.315 122 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 122 I C 2.658 178.713 176.117 -0.103 0.000 1.117 122 I CA 1.159 62.442 61.300 -0.028 0.000 1.404 122 I CB -0.244 37.739 38.000 -0.028 0.000 1.071 122 I HN 0.261 nan 8.210 nan 0.000 0.419 123 E N 1.350 121.478 120.200 -0.121 0.000 2.085 123 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 123 E C 2.294 178.825 176.600 -0.114 0.000 0.994 123 E CA 1.491 57.755 56.400 -0.227 0.000 0.801 123 E CB -0.244 29.285 29.700 -0.285 0.000 0.743 123 E HN 0.491 nan 8.360 nan 0.000 0.453 124 G N 1.336 110.199 108.800 0.105 0.000 2.446 124 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 124 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 124 G C 1.608 176.558 174.900 0.082 0.000 1.168 124 G CA 1.086 46.367 45.100 0.302 0.000 0.771 124 G HN 0.281 nan 8.290 nan 0.000 0.551 125 I N 0.227 120.741 120.570 -0.094 0.000 2.208 125 I HA -0.198 3.971 4.170 -0.000 0.000 0.245 125 I C 3.077 179.108 176.117 -0.144 0.000 1.097 125 I CA 1.153 62.296 61.300 -0.262 0.000 1.363 125 I CB -0.197 37.566 38.000 -0.395 0.000 1.051 125 I HN 0.107 nan 8.210 nan 0.000 0.413 126 R N -0.100 120.278 120.500 -0.203 0.000 2.075 126 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 126 R C 2.333 178.467 176.300 -0.276 0.000 1.126 126 R CA 1.419 57.365 56.100 -0.256 0.000 0.963 126 R CB -0.444 29.643 30.300 -0.355 0.000 0.858 126 R HN 0.189 nan 8.270 nan 0.000 0.435 127 F N 0.470 120.260 119.950 -0.267 0.000 2.126 127 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 127 F C 2.552 178.148 175.800 -0.341 0.000 1.096 127 F CA 0.889 58.651 58.000 -0.397 0.000 1.255 127 F CB -0.704 37.811 39.000 -0.807 0.000 0.997 127 F HN 0.054 nan 8.300 nan 0.000 0.479 128 C N -0.600 118.667 119.300 -0.056 0.000 2.440 128 C HA -0.165 4.295 4.460 -0.000 0.000 0.278 128 C C 2.718 177.813 174.990 0.175 0.000 1.295 128 C CA 0.701 59.842 59.018 0.206 0.000 1.738 128 C CB -1.175 26.792 27.740 0.378 0.000 1.987 128 C HN 0.501 nan 8.230 nan 0.000 0.492 129 Q N -0.137 119.701 119.800 0.064 0.000 2.124 129 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 129 Q C 2.384 178.393 176.000 0.015 0.000 0.977 129 Q CA 1.208 57.035 55.803 0.041 0.000 0.850 129 Q CB -0.185 28.545 28.738 -0.013 0.000 0.901 129 Q HN 0.655 nan 8.270 nan 0.000 0.429 130 Q N 0.009 119.796 119.800 -0.021 0.000 2.123 130 Q HA -0.008 4.332 4.340 -0.000 0.000 0.199 130 Q C 1.950 177.913 176.000 -0.062 0.000 0.966 130 Q CA 1.056 56.840 55.803 -0.031 0.000 0.845 130 Q CB 0.232 28.957 28.738 -0.021 0.000 0.907 130 Q HN 0.453 nan 8.270 nan 0.000 0.439 131 I N -1.369 119.119 120.570 -0.137 0.000 3.265 131 I HA -0.038 4.132 4.170 -0.000 0.000 0.282 131 I C -0.024 175.758 176.117 -0.557 0.000 1.207 131 I CA 0.308 61.386 61.300 -0.370 0.000 1.449 131 I CB 0.454 38.150 38.000 -0.506 0.000 1.121 131 I HN -0.064 nan 8.210 nan 0.000 0.442 132 F N 1.621 121.607 119.950 0.059 0.000 2.542 132 F HA 0.334 4.861 4.527 -0.000 0.000 0.323 132 F C -1.591 174.234 175.800 0.043 0.000 1.411 132 F CA -2.167 55.867 58.000 0.056 0.000 1.124 132 F CB -0.172 38.869 39.000 0.069 0.000 1.331 132 F HN -0.134 nan 8.300 nan 0.000 0.560 133 P HA -0.177 nan 4.420 nan 0.000 0.218 133 P C 0.917 178.271 177.300 0.091 0.000 1.148 133 P CA 1.545 64.698 63.100 0.088 0.000 0.822 133 P CB 0.511 32.239 31.700 0.046 0.000 0.784 134 E N -0.654 119.607 120.200 0.103 0.000 2.479 134 E HA 0.158 4.507 4.350 -0.000 0.000 0.193 134 E C 0.792 177.439 176.600 0.078 0.000 1.049 134 E CA -0.127 56.319 56.400 0.078 0.000 0.870 134 E CB -0.101 29.639 29.700 0.067 0.000 0.944 134 E HN 0.393 nan 8.360 nan 0.000 0.492 135 L N 3.279 124.563 121.223 0.102 0.000 2.326 135 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 135 L C -1.928 174.979 176.870 0.062 0.000 1.092 135 L CA -1.875 53.008 54.840 0.073 0.000 0.810 135 L CB 0.481 42.575 42.059 0.059 0.000 1.153 135 L HN -0.175 nan 8.230 nan 0.000 0.439 136 P HA 0.124 nan 4.420 nan 0.000 0.272 136 P C -1.352 175.973 177.300 0.041 0.000 1.223 136 P CA -0.323 62.799 63.100 0.037 0.000 0.784 136 P CB 0.806 32.521 31.700 0.025 0.000 0.923 137 Q N 0.199 120.030 119.800 0.052 0.000 2.397 137 Q HA 0.622 4.962 4.340 -0.000 0.000 0.275 137 Q C -1.172 174.859 176.000 0.052 0.000 1.090 137 Q CA -1.098 54.756 55.803 0.085 0.000 0.809 137 Q CB 2.693 31.529 28.738 0.163 0.000 1.362 137 Q HN 0.157 nan 8.270 nan 0.000 0.431 138 V N 0.794 120.740 119.914 0.053 0.000 2.735 138 V HA 0.738 4.857 4.120 -0.000 0.000 0.310 138 V C -0.899 175.151 176.094 -0.074 0.000 1.061 138 V CA -0.760 61.525 62.300 -0.026 0.000 0.913 138 V CB 1.866 33.658 31.823 -0.051 0.000 1.005 138 V HN 0.867 nan 8.190 nan 0.000 0.428 139 A N 4.038 126.711 122.820 -0.246 0.000 2.292 139 A HA 0.827 5.147 4.320 -0.000 0.000 0.319 139 A C -0.817 176.283 177.584 -0.807 0.000 1.206 139 A CA -0.474 51.229 52.037 -0.557 0.000 0.835 139 A CB 1.219 19.755 19.000 -0.775 0.000 1.164 139 A HN 0.707 nan 8.150 nan 0.000 0.505 140 V N 3.349 122.825 119.914 -0.730 0.000 2.407 140 V HA 0.392 4.512 4.120 -0.000 0.000 0.291 140 V C -1.104 174.659 176.094 -0.552 0.000 1.018 140 V CA -0.242 61.744 62.300 -0.524 0.000 0.842 140 V CB 0.643 32.316 31.823 -0.249 0.000 0.996 140 V HN 0.704 nan 8.190 nan 0.000 0.426 141 F N 2.357 122.257 119.950 -0.084 0.000 2.408 141 F HA 0.428 4.954 4.527 -0.000 0.000 0.344 141 F C 1.326 177.109 175.800 -0.028 0.000 1.112 141 F CA -0.687 57.276 58.000 -0.060 0.000 1.096 141 F CB 1.022 40.015 39.000 -0.012 0.000 1.129 141 F HN 0.432 nan 8.300 nan 0.000 0.486 142 D N 0.530 121.001 120.400 0.119 0.000 2.348 142 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 142 D C 2.032 178.410 176.300 0.129 0.000 0.970 142 D CA 1.182 55.233 54.000 0.085 0.000 0.889 142 D CB -0.046 40.778 40.800 0.040 0.000 0.912 142 D HN 0.624 nan 8.370 nan 0.000 0.524 143 T N -2.417 112.208 114.554 0.118 0.000 3.057 143 T HA 0.266 4.616 4.350 -0.000 0.000 0.254 143 T C 2.057 176.849 174.700 0.153 0.000 1.094 143 T CA 0.516 62.682 62.100 0.109 0.000 1.088 143 T CB 0.242 69.045 68.868 -0.110 0.000 0.934 143 T HN 0.013 nan 8.240 nan 0.000 0.497 144 A N 1.688 124.620 122.820 0.187 0.000 1.883 144 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 144 A C 1.926 179.596 177.584 0.143 0.000 1.186 144 A CA 1.468 53.617 52.037 0.187 0.000 0.624 144 A CB -1.226 17.935 19.000 0.268 0.000 0.822 144 A HN 0.479 nan 8.150 nan 0.000 0.444 145 F N 0.439 120.339 119.950 -0.085 0.000 2.216 145 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 145 F C 2.088 177.771 175.800 -0.195 0.000 1.085 145 F CA 1.770 59.662 58.000 -0.180 0.000 1.326 145 F CB -0.240 38.578 39.000 -0.303 0.000 1.027 145 F HN 0.403 nan 8.300 nan 0.000 0.497 146 H N -0.717 118.335 119.070 -0.029 0.000 2.539 146 H HA 0.109 4.664 4.556 -0.000 0.000 0.267 146 H C 1.778 177.005 175.328 -0.169 0.000 0.982 146 H CA 0.359 56.301 56.048 -0.176 0.000 1.146 146 H CB -0.082 29.637 29.762 -0.072 0.000 1.382 146 H HN 0.338 nan 8.280 nan 0.000 0.577 147 Q N 1.001 120.790 119.800 -0.017 0.000 2.500 147 Q HA -0.034 4.306 4.340 -0.000 0.000 0.213 147 Q C 1.073 177.015 176.000 -0.098 0.000 0.974 147 Q CA 0.447 56.231 55.803 -0.032 0.000 0.918 147 Q CB -0.122 28.622 28.738 0.009 0.000 0.980 147 Q HN 0.559 nan 8.270 nan 0.000 0.505 151 S N -0.356 115.288 115.700 -0.094 0.000 2.383 151 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 151 S C 1.643 176.195 174.600 -0.080 0.000 1.030 151 S CA 1.747 59.890 58.200 -0.095 0.000 1.002 151 S CB -0.757 62.435 63.200 -0.014 0.000 0.829 151 S HN 0.718 nan 8.310 nan 0.000 0.467 152 Y N 0.106 120.357 120.300 -0.082 0.000 2.574 152 Y HA 0.220 4.770 4.550 -0.000 0.000 0.294 152 Y C 1.530 177.387 175.900 -0.073 0.000 1.142 152 Y CA 0.506 58.568 58.100 -0.063 0.000 1.314 152 Y CB -0.424 38.014 38.460 -0.037 0.000 0.991 152 Y HN 0.195 nan 8.280 nan 0.000 0.555 153 I N -0.002 120.215 120.570 -0.587 0.000 3.039 153 I HA 0.122 4.291 4.170 -0.000 0.000 0.270 153 I C 2.512 178.416 176.117 -0.355 0.000 1.150 153 I CA 0.693 61.697 61.300 -0.493 0.000 1.448 153 I CB -0.208 37.425 38.000 -0.613 0.000 1.197 153 I HN 0.252 nan 8.210 nan 0.000 0.450 154 A N 0.267 122.860 122.820 -0.378 0.000 1.970 154 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 154 A C 1.038 178.300 177.584 -0.537 0.000 1.170 154 A CA 0.547 52.326 52.037 -0.429 0.000 0.645 154 A CB -0.333 18.424 19.000 -0.404 0.000 0.816 154 A HN 0.315 nan 8.150 nan 0.000 0.447 155 E N -0.682 119.277 120.200 -0.401 0.000 2.366 155 E HA 0.327 4.677 4.350 -0.000 0.000 0.266 155 E C -1.148 175.241 176.600 -0.351 0.000 1.051 155 E CA -0.316 55.855 56.400 -0.381 0.000 0.884 155 E CB 0.419 29.991 29.700 -0.213 0.000 1.006 155 E HN 0.493 nan 8.360 nan 0.000 0.417 156 Y N 0.014 120.257 120.300 -0.094 0.000 2.326 156 Y HA 0.317 4.867 4.550 -0.000 0.000 0.324 156 Y C 0.603 176.484 175.900 -0.030 0.000 1.291 156 Y CA -0.928 57.140 58.100 -0.053 0.000 1.348 156 Y CB 0.873 39.303 38.460 -0.050 0.000 1.294 156 Y HN 0.509 nan 8.280 nan 0.000 0.525 157 A N 3.544 126.469 122.820 0.175 0.000 3.004 157 A HA 0.530 4.850 4.320 -0.000 0.000 0.286 157 A C -0.242 177.394 177.584 0.086 0.000 1.632 157 A CA -0.170 51.928 52.037 0.102 0.000 1.339 157 A CB -1.739 17.309 19.000 0.079 0.000 1.136 157 A HN 0.638 nan 8.150 nan 0.000 0.577 158 I N -2.431 118.192 120.570 0.089 0.000 3.264 158 I HA 0.691 4.861 4.170 -0.000 0.000 0.315 158 I C -2.798 173.369 176.117 0.084 0.000 1.154 158 I CA -3.182 58.159 61.300 0.068 0.000 0.962 158 I CB 1.190 39.224 38.000 0.056 0.000 1.265 158 I HN 0.012 nan 8.210 nan 0.000 0.463 159 P HA -0.019 nan 4.420 nan 0.000 0.262 159 P C 0.060 177.465 177.300 0.176 0.000 1.182 159 P CA 0.290 63.464 63.100 0.124 0.000 0.761 159 P CB 0.159 31.920 31.700 0.101 0.000 0.795 160 Y N 3.391 123.754 120.300 0.104 0.000 2.096 160 Y HA -0.340 4.210 4.550 -0.000 0.000 0.278 160 Y C 2.273 178.296 175.900 0.206 0.000 1.192 160 Y CA 2.450 60.659 58.100 0.181 0.000 1.143 160 Y CB -0.117 38.415 38.460 0.121 0.000 0.963 160 Y HN 0.530 nan 8.280 nan 0.000 0.505 161 E N -0.250 120.149 120.200 0.332 0.000 2.150 161 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 161 E C 2.071 178.789 176.600 0.197 0.000 0.985 161 E CA 1.362 57.912 56.400 0.251 0.000 0.814 161 E CB -0.298 29.538 29.700 0.228 0.000 0.752 161 E HN 0.623 nan 8.360 nan 0.000 0.466 162 L N 0.228 121.553 121.223 0.170 0.000 2.056 162 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 162 L C 2.597 179.506 176.870 0.064 0.000 1.078 162 L CA 1.448 56.384 54.840 0.159 0.000 0.749 162 L CB -0.548 41.554 42.059 0.071 0.000 0.901 162 L HN 0.205 nan 8.230 nan 0.000 0.433 163 T N -1.831 112.692 114.554 -0.052 0.000 2.708 163 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 163 T C 1.763 176.218 174.700 -0.407 0.000 1.037 163 T CA 1.281 63.223 62.100 -0.263 0.000 1.146 163 T CB -0.172 68.443 68.868 -0.422 0.000 0.865 163 T HN 0.388 nan 8.240 nan 0.000 0.435 164 H N -0.051 118.866 119.070 -0.255 0.000 2.406 164 H HA 0.255 4.811 4.556 -0.000 0.000 0.304 164 H C 2.375 177.597 175.328 -0.175 0.000 1.042 164 H CA 0.826 56.704 56.048 -0.282 0.000 1.360 164 H CB 0.061 29.507 29.762 -0.526 0.000 1.448 164 H HN 0.241 nan 8.280 nan 0.000 0.553 165 K N 0.624 120.998 120.400 -0.043 0.000 2.097 165 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 165 K C 1.037 177.421 176.600 -0.360 0.000 1.050 165 K CA 1.150 57.311 56.287 -0.211 0.000 0.938 165 K CB 0.202 32.530 32.500 -0.287 0.000 0.718 165 K HN 0.352 nan 8.250 nan 0.000 0.442 166 H N 0.217 119.280 119.070 -0.010 0.000 2.594 166 H HA 0.162 4.718 4.556 -0.000 0.000 0.279 166 H C -0.187 175.132 175.328 -0.015 0.000 1.042 166 H CA 0.015 56.057 56.048 -0.010 0.000 1.177 166 H CB 0.475 30.236 29.762 -0.002 0.000 1.524 166 H HN 0.293 nan 8.280 nan 0.000 0.537 167 N N 0.812 119.523 118.700 0.018 0.000 2.714 167 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 167 N C -0.160 175.408 175.510 0.097 0.000 1.117 167 N CA 0.514 53.574 53.050 0.017 0.000 0.719 167 N CB -1.754 36.749 38.487 0.028 0.000 1.081 167 N HN 0.442 nan 8.380 nan 0.000 0.557 168 I N 1.457 122.065 120.570 0.062 0.000 2.379 168 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 168 I C 1.098 177.231 176.117 0.026 0.000 1.063 168 I CA 0.060 61.427 61.300 0.111 0.000 1.351 168 I CB 0.453 38.518 38.000 0.108 0.000 1.410 168 I HN 0.163 nan 8.210 nan 0.000 0.505 169 R N 4.678 125.158 120.500 -0.034 0.000 2.764 169 R HA 0.364 4.704 4.340 -0.000 0.000 0.276 169 R C -1.499 174.515 176.300 -0.477 0.000 1.021 169 R CA -1.198 54.666 56.100 -0.394 0.000 0.870 169 R CB 1.043 30.999 30.300 -0.573 0.000 1.293 169 R HN 0.312 nan 8.270 nan 0.000 0.469 170 K N 0.917 120.879 120.400 -0.730 0.000 2.339 170 K HA 0.140 4.460 4.320 -0.000 0.000 0.286 170 K C -0.699 175.620 176.600 -0.468 0.000 1.050 170 K CA -0.046 55.982 56.287 -0.432 0.000 0.956 170 K CB 0.425 32.663 32.500 -0.438 0.000 0.990 170 K HN 0.575 nan 8.250 nan 0.000 0.475 171 Y N 2.937 123.204 120.300 -0.056 0.000 2.581 171 Y HA 0.212 4.762 4.550 -0.000 0.000 0.271 171 Y C 1.153 176.982 175.900 -0.118 0.000 1.100 171 Y CA 0.560 58.617 58.100 -0.072 0.000 1.281 171 Y CB 0.668 39.101 38.460 -0.045 0.000 1.237 171 Y HN 1.029 nan 8.280 nan 0.000 0.514 172 G N 0.779 109.576 108.800 -0.006 0.000 2.782 172 G HA2 0.208 4.168 3.960 -0.000 0.000 0.228 172 G HA3 0.208 4.168 3.960 -0.000 0.000 0.228 172 G C -0.382 174.523 174.900 0.007 0.000 1.372 172 G CA -0.295 44.708 45.100 -0.161 0.000 0.862 172 G HN 0.868 nan 8.290 nan 0.000 0.547 173 A N -2.604 120.247 122.820 0.051 0.000 2.588 173 A HA 0.862 5.182 4.320 -0.000 0.000 0.309 173 A C 0.515 178.248 177.584 0.249 0.000 1.173 173 A CA 0.801 52.889 52.037 0.086 0.000 0.631 173 A CB -0.234 18.676 19.000 -0.149 0.000 1.364 173 A HN 2.460 nan 8.150 nan 0.000 0.526 174 H N -1.235 117.886 119.070 0.085 0.000 3.010 174 H HA -0.237 4.318 4.556 -0.000 0.000 0.272 174 H C 1.488 176.863 175.328 0.079 0.000 1.151 174 H CA 0.695 56.715 56.048 -0.046 0.000 1.159 174 H CB -1.184 28.441 29.762 -0.228 0.000 1.295 174 H HN 1.162 nan 8.280 nan 0.000 0.344 175 G N -0.320 108.625 108.800 0.241 0.000 2.442 175 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 175 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 175 G C 1.593 176.459 174.900 -0.057 0.000 1.141 175 G CA 1.476 46.615 45.100 0.066 0.000 0.763 175 G HN 0.456 nan 8.290 nan 0.000 0.554 176 T N 0.403 114.928 114.554 -0.048 0.000 2.777 176 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 176 T C 2.659 177.285 174.700 -0.123 0.000 1.040 176 T CA 1.541 63.580 62.100 -0.102 0.000 1.141 176 T CB -0.279 68.541 68.868 -0.079 0.000 0.868 176 T HN 0.332 nan 8.240 nan 0.000 0.444 177 S N 0.300 115.922 115.700 -0.131 0.000 2.348 177 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 177 S C 1.995 176.517 174.600 -0.129 0.000 1.033 177 S CA 1.155 59.277 58.200 -0.129 0.000 1.010 177 S CB -0.462 62.603 63.200 -0.224 0.000 0.891 177 S HN 0.557 nan 8.310 nan 0.000 0.442 178 H N 0.901 119.935 119.070 -0.060 0.000 2.387 178 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 178 H C 2.280 177.339 175.328 -0.449 0.000 1.090 178 H CA 1.610 57.610 56.048 -0.081 0.000 1.332 178 H CB -0.320 29.532 29.762 0.150 0.000 1.386 178 H HN 0.475 nan 8.280 nan 0.000 0.516 179 K N 0.268 120.181 120.400 -0.812 0.000 2.001 179 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 179 K C 2.249 178.616 176.600 -0.389 0.000 1.048 179 K CA 1.167 56.793 56.287 -1.102 0.000 0.932 179 K CB -0.296 31.621 32.500 -0.971 0.000 0.715 179 K HN 0.149 nan 8.250 nan 0.000 0.437 180 Y N 1.176 121.294 120.300 -0.303 0.000 2.097 180 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 180 Y C 1.876 177.701 175.900 -0.125 0.000 1.152 180 Y CA 1.832 59.828 58.100 -0.173 0.000 1.136 180 Y CB -0.368 38.009 38.460 -0.138 0.000 0.975 180 Y HN -0.123 nan 8.280 nan 0.000 0.498 181 V N 0.243 120.133 119.914 -0.039 0.000 2.427 181 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 181 V C 2.586 178.608 176.094 -0.120 0.000 1.051 181 V CA 2.035 64.291 62.300 -0.073 0.000 1.048 181 V CB -1.017 30.839 31.823 0.055 0.000 0.666 181 V HN 0.669 nan 8.190 nan 0.000 0.456 182 S N -0.179 115.474 115.700 -0.078 0.000 2.383 182 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 182 S C 1.780 176.337 174.600 -0.072 0.000 1.026 182 S CA 1.408 59.593 58.200 -0.024 0.000 0.981 182 S CB -0.420 62.830 63.200 0.083 0.000 0.818 182 S HN 0.704 nan 8.310 nan 0.000 0.472 183 E N 0.850 120.963 120.200 -0.146 0.000 2.072 183 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 183 E C 2.440 178.920 176.600 -0.199 0.000 0.985 183 E CA 1.095 57.404 56.400 -0.152 0.000 0.801 183 E CB -0.146 29.449 29.700 -0.175 0.000 0.750 183 E HN 0.443 nan 8.360 nan 0.000 0.452 184 Q N 0.212 119.814 119.800 -0.330 0.000 2.084 184 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 184 Q C 2.192 178.098 176.000 -0.158 0.000 0.978 184 Q CA 1.429 57.052 55.803 -0.301 0.000 0.844 184 Q CB -0.413 28.073 28.738 -0.420 0.000 0.898 184 Q HN 0.268 nan 8.270 nan 0.000 0.426 185 A N 0.971 123.714 122.820 -0.127 0.000 1.877 185 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 185 A C 2.335 179.898 177.584 -0.034 0.000 1.186 185 A CA 2.104 54.095 52.037 -0.077 0.000 0.620 185 A CB -0.768 18.198 19.000 -0.056 0.000 0.822 185 A HN 0.375 nan 8.150 nan 0.000 0.443 186 A N -0.235 122.568 122.820 -0.028 0.000 1.902 186 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 186 A C 2.110 179.692 177.584 -0.003 0.000 1.181 186 A CA 1.900 53.936 52.037 -0.001 0.000 0.623 186 A CB -0.447 18.554 19.000 0.002 0.000 0.818 186 A HN 0.573 nan 8.150 nan 0.000 0.443 187 K N -0.488 119.894 120.400 -0.030 0.000 2.002 187 K HA -0.085 4.234 4.320 -0.000 0.000 0.209 187 K C 1.813 178.416 176.600 0.004 0.000 1.048 187 K CA 1.675 57.949 56.287 -0.022 0.000 0.930 187 K CB -0.418 32.052 32.500 -0.050 0.000 0.714 187 K HN 0.516 nan 8.250 nan 0.000 0.438 188 I N 1.204 121.776 120.570 0.003 0.000 2.208 188 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 188 I C 1.857 178.038 176.117 0.107 0.000 1.097 188 I CA 1.256 62.586 61.300 0.050 0.000 1.363 188 I CB -0.168 37.847 38.000 0.024 0.000 1.051 188 I HN 0.107 nan 8.210 nan 0.000 0.413 189 L N 0.673 121.955 121.223 0.097 0.000 2.599 189 L HA 0.026 4.366 4.340 -0.000 0.000 0.230 189 L C 0.840 177.752 176.870 0.070 0.000 1.141 189 L CA 0.429 55.340 54.840 0.118 0.000 0.877 189 L CB -0.940 41.187 42.059 0.112 0.000 1.009 189 L HN 0.474 nan 8.230 nan 0.000 0.447 190 T N -2.506 112.078 114.554 0.050 0.000 3.882 190 T HA -0.242 4.108 4.350 -0.000 0.000 0.366 190 T C 0.072 174.791 174.700 0.031 0.000 0.760 190 T CA 0.563 62.683 62.100 0.034 0.000 1.931 190 T CB -1.693 67.193 68.868 0.031 0.000 1.807 190 T HN 0.412 nan 8.240 nan 0.000 0.790 191 Q N -0.072 119.747 119.800 0.032 0.000 2.301 191 Q HA 0.408 4.748 4.340 -0.000 0.000 0.267 191 Q C 1.299 177.314 176.000 0.026 0.000 1.035 191 Q CA -0.671 55.151 55.803 0.032 0.000 0.856 191 Q CB 1.743 30.506 28.738 0.041 0.000 1.337 191 Q HN 0.657 nan 8.270 nan 0.000 0.450 192 Q N 0.697 120.513 119.800 0.026 0.000 2.119 192 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 192 Q C -0.354 175.662 176.000 0.027 0.000 0.972 192 Q CA 1.391 57.208 55.803 0.023 0.000 0.847 192 Q CB 0.564 29.316 28.738 0.023 0.000 0.903 192 Q HN 0.204 nan 8.270 nan 0.000 0.433 193 K N -0.595 119.827 120.400 0.036 0.000 2.477 193 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 193 K C -1.511 175.125 176.600 0.059 0.000 0.952 193 K CA -0.423 55.892 56.287 0.047 0.000 0.826 193 K CB 1.918 34.448 32.500 0.049 0.000 1.331 193 K HN 0.106 nan 8.250 nan 0.000 0.437 194 A N 2.064 124.927 122.820 0.072 0.000 2.310 194 A HA 0.458 4.778 4.320 -0.000 0.000 0.299 194 A C -0.351 177.311 177.584 0.131 0.000 1.147 194 A CA -0.533 51.554 52.037 0.083 0.000 0.818 194 A CB 0.184 19.227 19.000 0.071 0.000 1.096 194 A HN 0.629 nan 8.150 nan 0.000 0.495 195 N N 1.573 120.359 118.700 0.143 0.000 2.776 195 N HA 0.429 5.169 4.740 -0.000 0.000 0.245 195 N C -0.960 174.595 175.510 0.074 0.000 1.121 195 N CA 0.014 53.229 53.050 0.274 0.000 0.852 195 N CB 1.541 40.216 38.487 0.313 0.000 1.142 195 N HN 0.644 nan 8.380 nan 0.000 0.514 196 V N -0.872 119.100 119.914 0.096 0.000 3.130 196 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 196 V C -0.351 175.748 176.094 0.008 0.000 1.158 196 V CA -0.976 61.271 62.300 -0.087 0.000 1.029 196 V CB 2.321 34.139 31.823 -0.007 0.000 1.057 196 V HN 0.170 nan 8.190 nan 0.000 0.436 197 I N 1.953 122.484 120.570 -0.065 0.000 2.354 197 I HA 0.582 4.752 4.170 -0.000 0.000 0.292 197 I C -0.733 175.409 176.117 0.042 0.000 0.989 197 I CA -0.887 60.465 61.300 0.086 0.000 1.188 197 I CB 1.922 39.975 38.000 0.089 0.000 1.342 197 I HN 0.447 nan 8.210 nan 0.000 0.457 198 V N 5.810 125.803 119.914 0.131 0.000 2.384 198 V HA 0.543 4.663 4.120 -0.000 0.000 0.287 198 V C 0.269 176.488 176.094 0.208 0.000 1.020 198 V CA -0.587 61.809 62.300 0.159 0.000 0.850 198 V CB 1.550 33.579 31.823 0.342 0.000 0.987 198 V HN 0.818 nan 8.190 nan 0.000 0.436 199 A N 3.435 126.289 122.820 0.057 0.000 2.341 199 A HA 0.483 4.803 4.320 -0.000 0.000 0.326 199 A C -0.286 177.400 177.584 0.172 0.000 1.402 199 A CA -0.356 51.734 52.037 0.089 0.000 0.957 199 A CB -0.389 18.549 19.000 -0.103 0.000 1.151 199 A HN 1.027 nan 8.150 nan 0.000 0.533 200 H N 3.287 122.443 119.070 0.143 0.000 2.911 200 H HA 0.527 5.083 4.556 -0.000 0.000 0.273 200 H C -0.961 174.389 175.328 0.038 0.000 1.157 200 H CA -0.192 55.846 56.048 -0.016 0.000 1.402 200 H CB 0.116 29.702 29.762 -0.293 0.000 1.463 200 H HN 0.536 nan 8.280 nan 0.000 0.475 201 L N 6.044 127.264 121.223 -0.005 0.000 2.294 201 L HA 0.554 4.894 4.340 -0.000 0.000 0.283 201 L C 0.600 177.487 176.870 0.029 0.000 1.015 201 L CA -0.291 54.635 54.840 0.143 0.000 0.831 201 L CB 1.504 43.721 42.059 0.264 0.000 1.217 201 L HN 0.841 nan 8.230 nan 0.000 0.420 202 G N 1.477 110.358 108.800 0.135 0.000 2.896 202 G HA2 0.132 4.091 3.960 -0.000 0.000 0.247 202 G HA3 0.132 4.091 3.960 -0.000 0.000 0.247 202 G C 0.194 175.189 174.900 0.159 0.000 1.187 202 G CA -0.278 44.874 45.100 0.086 0.000 0.837 202 G HN 0.378 nan 8.290 nan 0.000 0.559 203 N N 0.440 119.225 118.700 0.140 0.000 2.104 203 N HA -0.025 4.715 4.740 -0.000 0.000 0.190 203 N C 1.232 176.861 175.510 0.199 0.000 1.024 203 N CA 1.393 54.531 53.050 0.146 0.000 0.853 203 N CB -0.360 38.198 38.487 0.118 0.000 1.008 203 N HN 0.564 nan 8.380 nan 0.000 0.424 204 G N -0.677 108.280 108.800 0.261 0.000 2.410 204 G HA2 0.496 4.456 3.960 -0.000 0.000 0.330 204 G HA3 0.496 4.456 3.960 -0.000 0.000 0.330 204 G C -0.897 174.263 174.900 0.434 0.000 1.142 204 G CA -0.288 45.004 45.100 0.321 0.000 0.902 204 G HN 0.217 nan 8.290 nan 0.000 0.491 205 C N 0.821 120.335 119.300 0.357 0.000 2.547 205 C HA 0.898 5.358 4.460 -0.000 0.000 0.313 205 C C 0.175 175.307 174.990 0.237 0.000 1.191 205 C CA -0.725 58.478 59.018 0.309 0.000 1.474 205 C CB 0.729 28.552 27.740 0.138 0.000 2.081 205 C HN 1.063 nan 8.230 nan 0.000 0.476 206 S N 2.478 118.375 115.700 0.329 0.000 2.596 206 S HA 0.862 5.332 4.470 -0.000 0.000 0.270 206 S C -1.320 173.447 174.600 0.277 0.000 1.155 206 S CA -0.640 57.698 58.200 0.231 0.000 0.827 206 S CB 1.507 64.911 63.200 0.339 0.000 1.130 206 S HN 0.916 nan 8.310 nan 0.000 0.467 207 I N 0.578 121.221 120.570 0.123 0.000 2.722 207 I HA 0.699 4.869 4.170 -0.000 0.000 0.295 207 I C -1.709 174.506 176.117 0.163 0.000 1.161 207 I CA -0.154 61.239 61.300 0.155 0.000 1.032 207 I CB 2.240 40.257 38.000 0.027 0.000 1.244 207 I HN 0.872 nan 8.210 nan 0.000 0.421 208 T N 5.733 120.342 114.554 0.092 0.000 2.916 208 T HA 0.631 4.981 4.350 -0.000 0.000 0.298 208 T C -0.797 173.936 174.700 0.055 0.000 1.031 208 T CA -0.448 61.620 62.100 -0.053 0.000 0.993 208 T CB 1.662 70.292 68.868 -0.396 0.000 1.045 208 T HN 0.672 nan 8.240 nan 0.000 0.454 209 A N 2.599 125.291 122.820 -0.214 0.000 2.276 209 A HA 0.691 5.011 4.320 -0.000 0.000 0.300 209 A C -0.309 177.217 177.584 -0.098 0.000 1.235 209 A CA -0.475 51.509 52.037 -0.089 0.000 0.867 209 A CB 0.263 18.986 19.000 -0.461 0.000 1.137 209 A HN 0.672 nan 8.150 nan 0.000 0.527 210 V N 4.211 124.218 119.914 0.154 0.000 2.357 210 V HA 0.367 4.486 4.120 -0.000 0.000 0.284 210 V C -0.352 175.839 176.094 0.161 0.000 1.018 210 V CA -0.424 61.941 62.300 0.109 0.000 0.841 210 V CB 1.340 33.297 31.823 0.223 0.000 0.991 210 V HN 0.618 nan 8.190 nan 0.000 0.437 211 V N 4.051 123.947 119.914 -0.031 0.000 2.448 211 V HA 0.441 4.560 4.120 -0.000 0.000 0.295 211 V C 0.130 176.222 176.094 -0.003 0.000 1.025 211 V CA -0.565 61.717 62.300 -0.029 0.000 0.859 211 V CB 1.469 33.148 31.823 -0.240 0.000 0.988 211 V HN 0.970 nan 8.190 nan 0.000 0.431 212 D N 4.380 124.815 120.400 0.059 0.000 2.701 212 D HA -0.206 4.434 4.640 -0.000 0.000 0.235 212 D C 1.332 177.658 176.300 0.044 0.000 1.155 212 D CA 1.743 55.770 54.000 0.045 0.000 0.649 212 D CB -1.089 39.721 40.800 0.015 0.000 1.050 212 D HN 1.396 nan 8.370 nan 0.000 0.425 213 G N -0.980 107.867 108.800 0.079 0.000 2.199 213 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 213 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 213 G C 0.283 175.263 174.900 0.132 0.000 0.982 213 G CA 0.699 45.868 45.100 0.115 0.000 0.632 213 G HN 0.493 nan 8.290 nan 0.000 0.529 214 K N 0.713 121.107 120.400 -0.010 0.000 2.221 214 K HA 0.575 4.895 4.320 -0.000 0.000 0.258 214 K C 0.131 176.520 176.600 -0.352 0.000 0.944 214 K CA -0.223 55.939 56.287 -0.208 0.000 0.823 214 K CB 1.928 34.316 32.500 -0.185 0.000 1.113 214 K HN 0.162 nan 8.250 nan 0.000 0.431 215 S N 2.495 117.755 115.700 -0.733 0.000 2.525 215 S HA 0.038 4.508 4.470 -0.000 0.000 0.285 215 S C 0.757 175.098 174.600 -0.433 0.000 1.283 215 S CA -0.203 57.668 58.200 -0.549 0.000 1.072 215 S CB 0.055 62.893 63.200 -0.604 0.000 0.867 215 S HN 0.662 nan 8.310 nan 0.000 0.492 216 I N 2.973 123.253 120.570 -0.482 0.000 4.032 216 I HA 0.352 4.522 4.170 -0.000 0.000 0.313 216 I C -0.188 175.515 176.117 -0.689 0.000 1.272 216 I CA 0.201 61.140 61.300 -0.601 0.000 1.307 216 I CB 0.393 37.929 38.000 -0.773 0.000 1.155 216 I HN 0.572 nan 8.210 nan 0.000 0.431 217 D N -0.620 119.361 120.400 -0.700 0.000 2.654 217 D HA 0.376 5.016 4.640 -0.000 0.000 0.231 217 D C -1.204 174.800 176.300 -0.494 0.000 1.239 217 D CA -0.023 53.616 54.000 -0.600 0.000 0.790 217 D CB 2.343 42.716 40.800 -0.711 0.000 1.480 217 D HN -0.075 nan 8.370 nan 0.000 0.442 218 T N -0.190 114.203 114.554 -0.269 0.000 2.802 218 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 218 T C -0.633 174.091 174.700 0.041 0.000 1.405 218 T CA -0.239 61.765 62.100 -0.159 0.000 1.016 218 T CB 0.840 69.369 68.868 -0.565 0.000 1.352 218 T HN 0.416 nan 8.240 nan 0.000 0.498 222 L N 1.407 122.835 121.223 0.342 0.000 2.079 222 L HA 0.247 4.587 4.340 -0.000 0.000 0.210 222 L C 1.554 178.671 176.870 0.412 0.000 1.081 222 L CA 3.108 58.206 54.840 0.429 0.000 0.752 222 L CB -0.559 41.686 42.059 0.311 0.000 0.896 222 L HN 0.953 nan 8.230 nan 0.000 0.433 223 T N -6.069 108.646 114.554 0.269 0.000 2.864 223 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 223 T C -2.315 172.473 174.700 0.147 0.000 1.082 223 T CA -1.438 60.801 62.100 0.233 0.000 1.009 223 T CB 1.296 70.282 68.868 0.197 0.000 1.234 223 T HN -0.191 nan 8.240 nan 0.000 0.526 224 P HA 0.123 nan 4.420 nan 0.000 0.244 224 P C 1.215 178.553 177.300 0.063 0.000 1.211 224 P CA -0.078 63.029 63.100 0.012 0.000 0.760 224 P CB -0.094 31.569 31.700 -0.061 0.000 0.961 225 L N -0.829 120.460 121.223 0.110 0.000 2.156 225 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 225 L C 0.588 177.508 176.870 0.084 0.000 1.095 225 L CA 1.471 56.376 54.840 0.108 0.000 0.770 225 L CB -0.859 41.276 42.059 0.127 0.000 0.914 225 L HN -0.163 nan 8.230 nan 0.000 0.439 226 D N -0.925 119.523 120.400 0.081 0.000 2.329 226 D HA 0.476 5.116 4.640 -0.000 0.000 0.246 226 D C 0.781 177.098 176.300 0.029 0.000 1.111 226 D CA 0.982 55.030 54.000 0.080 0.000 0.941 226 D CB 1.206 42.076 40.800 0.116 0.000 1.169 226 D HN 0.395 nan 8.370 nan 0.000 0.441 227 G N 0.801 109.623 108.800 0.038 0.000 2.936 227 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.237 227 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.237 227 G C -0.279 174.498 174.900 -0.205 0.000 1.403 227 G CA -0.090 44.947 45.100 -0.104 0.000 1.011 227 G HN 0.576 nan 8.290 nan 0.000 0.568 228 L N 1.229 122.233 121.223 -0.365 0.000 2.472 228 L HA 0.452 4.792 4.340 -0.000 0.000 0.260 228 L C 1.704 178.481 176.870 -0.156 0.000 1.209 228 L CA -0.691 53.949 54.840 -0.333 0.000 0.817 228 L CB 0.550 42.377 42.059 -0.387 0.000 1.106 228 L HN 0.499 nan 8.230 nan 0.000 0.479 232 T N -1.296 113.320 114.554 0.103 0.000 3.058 232 T HA 0.465 4.815 4.350 -0.000 0.000 0.278 232 T C 0.608 175.360 174.700 0.087 0.000 0.974 232 T CA -0.203 61.947 62.100 0.084 0.000 0.893 232 T CB 0.669 69.577 68.868 0.066 0.000 1.138 232 T HN 0.218 nan 8.240 nan 0.000 0.529 233 R N 1.577 122.137 120.500 0.101 0.000 2.474 233 R HA 0.526 4.866 4.340 -0.000 0.000 0.295 233 R C 1.499 177.854 176.300 0.092 0.000 0.980 233 R CA 0.166 56.324 56.100 0.096 0.000 0.934 233 R CB 1.428 31.788 30.300 0.102 0.000 1.101 233 R HN 0.317 nan 8.270 nan 0.000 0.469 234 S N 1.520 117.270 115.700 0.083 0.000 2.402 234 S HA -0.004 4.466 4.470 -0.000 0.000 0.229 234 S C 1.255 175.897 174.600 0.070 0.000 1.021 234 S CA 0.378 58.623 58.200 0.076 0.000 0.974 234 S CB -0.429 62.812 63.200 0.068 0.000 0.800 234 S HN 0.981 nan 8.310 nan 0.000 0.484 235 G N 0.840 109.680 108.800 0.067 0.000 2.601 235 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.261 235 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.261 235 G C 0.056 175.004 174.900 0.080 0.000 1.289 235 G CA -0.467 44.665 45.100 0.055 0.000 0.920 235 G HN 1.005 nan 8.290 nan 0.000 0.571 236 C N -0.282 119.078 119.300 0.100 0.000 2.378 236 C HA 0.430 4.890 4.460 -0.000 0.000 0.395 236 C C 0.972 176.017 174.990 0.091 0.000 1.476 236 C CA 1.322 60.412 59.018 0.121 0.000 1.541 236 C CB -1.817 26.025 27.740 0.169 0.000 2.524 236 C HN 0.815 nan 8.230 nan 0.000 0.595 237 I N 2.180 122.800 120.570 0.082 0.000 2.908 237 I HA 0.240 4.410 4.170 -0.000 0.000 0.300 237 I C -0.991 175.163 176.117 0.061 0.000 1.385 237 I CA -0.411 60.926 61.300 0.062 0.000 1.004 237 I CB 1.595 39.628 38.000 0.055 0.000 1.309 237 I HN 0.551 nan 8.210 nan 0.000 0.449 238 D N 7.966 128.389 120.400 0.038 0.000 2.434 238 D HA 0.122 4.762 4.640 -0.000 0.000 0.252 238 D C -1.600 174.747 176.300 0.077 0.000 1.185 238 D CA -1.652 52.370 54.000 0.036 0.000 0.886 238 D CB 1.374 42.177 40.800 0.005 0.000 1.148 238 D HN 0.261 nan 8.370 nan 0.000 0.483 239 P HA -0.111 nan 4.420 nan 0.000 0.223 239 P C 1.038 178.450 177.300 0.187 0.000 1.144 239 P CA 0.533 63.722 63.100 0.149 0.000 0.783 239 P CB 0.227 31.946 31.700 0.033 0.000 0.771 240 S N 0.629 116.392 115.700 0.104 0.000 2.465 240 S HA -0.148 4.322 4.470 -0.000 0.000 0.241 240 S C 1.882 176.556 174.600 0.123 0.000 1.000 240 S CA 1.306 59.564 58.200 0.097 0.000 0.964 240 S CB -1.192 62.034 63.200 0.043 0.000 0.763 240 S HN 0.352 nan 8.310 nan 0.000 0.512 241 I N -1.555 119.073 120.570 0.097 0.000 2.454 241 I HA -0.066 4.104 4.170 -0.000 0.000 0.254 241 I C 1.789 177.910 176.117 0.008 0.000 1.156 241 I CA 1.331 62.638 61.300 0.011 0.000 1.433 241 I CB -0.728 37.210 38.000 -0.102 0.000 1.082 241 I HN 0.033 nan 8.210 nan 0.000 0.432 242 F N 1.817 121.786 119.950 0.032 0.000 2.075 242 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 242 F C 2.764 178.581 175.800 0.029 0.000 1.113 242 F CA 1.890 59.908 58.000 0.031 0.000 1.218 242 F CB -0.760 38.256 39.000 0.027 0.000 0.984 242 F HN 0.126 nan 8.300 nan 0.000 0.472 243 A N -1.050 121.904 122.820 0.223 0.000 1.933 243 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 243 A C 2.020 179.649 177.584 0.076 0.000 1.175 243 A CA 1.581 53.693 52.037 0.125 0.000 0.628 243 A CB -1.435 17.627 19.000 0.104 0.000 0.814 243 A HN 0.536 nan 8.150 nan 0.000 0.444 244 Y N 0.252 120.537 120.300 -0.024 0.000 2.145 244 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 244 Y C 2.035 177.855 175.900 -0.134 0.000 1.145 244 Y CA 1.956 60.013 58.100 -0.071 0.000 1.148 244 Y CB -0.200 38.212 38.460 -0.079 0.000 0.981 244 Y HN 0.257 nan 8.280 nan 0.000 0.507 245 I N -1.036 119.497 120.570 -0.062 0.000 2.252 245 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 245 I C 2.780 178.727 176.117 -0.284 0.000 1.102 245 I CA 1.519 62.636 61.300 -0.306 0.000 1.385 245 I CB -0.586 37.143 38.000 -0.452 0.000 1.064 245 I HN 0.243 nan 8.210 nan 0.000 0.414 246 S N 0.789 116.423 115.700 -0.109 0.000 2.359 246 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 246 S C 1.726 176.289 174.600 -0.061 0.000 1.035 246 S CA 2.089 60.279 58.200 -0.018 0.000 1.018 246 S CB -0.297 62.940 63.200 0.062 0.000 0.876 246 S HN 0.365 nan 8.310 nan 0.000 0.448 247 D N 1.173 121.511 120.400 -0.103 0.000 2.117 247 D HA -0.019 4.621 4.640 -0.000 0.000 0.197 247 D C 1.909 178.106 176.300 -0.172 0.000 0.987 247 D CA 0.992 54.921 54.000 -0.118 0.000 0.829 247 D CB -0.420 40.303 40.800 -0.127 0.000 0.961 247 D HN 0.493 nan 8.370 nan 0.000 0.460 248 N N -0.359 118.165 118.700 -0.294 0.000 2.402 248 N HA 0.085 4.825 4.740 -0.000 0.000 0.174 248 N C 1.625 177.010 175.510 -0.209 0.000 1.027 248 N CA 0.307 53.171 53.050 -0.311 0.000 0.891 248 N CB 0.735 38.890 38.487 -0.553 0.000 1.016 248 N HN 0.210 nan 8.380 nan 0.000 0.439 249 L N -0.735 120.353 121.223 -0.225 0.000 2.701 249 L HA 0.300 4.640 4.340 -0.000 0.000 0.238 249 L C 1.034 177.962 176.870 0.097 0.000 1.106 249 L CA 0.150 54.918 54.840 -0.120 0.000 0.898 249 L CB 0.400 42.218 42.059 -0.403 0.000 1.188 249 L HN 0.117 nan 8.230 nan 0.000 0.508 250 G N -0.522 108.312 108.800 0.056 0.000 2.143 250 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 250 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 250 G C -0.249 174.823 174.900 0.287 0.000 0.991 250 G CA -0.312 44.873 45.100 0.142 0.000 0.689 250 G HN 0.142 nan 8.290 nan 0.000 0.522 251 W N 1.691 122.983 121.300 -0.013 0.000 2.150 251 W HA 0.597 5.257 4.660 -0.000 0.000 0.341 251 W C 1.224 177.753 176.519 0.018 0.000 1.276 251 W CA -0.626 56.717 57.345 -0.003 0.000 1.238 251 W CB 0.333 29.783 29.460 -0.017 0.000 1.128 251 W HN 0.573 nan 8.180 nan 0.000 0.581 252 S N 0.143 115.986 115.700 0.240 0.000 2.645 252 S HA 0.252 4.722 4.470 -0.000 0.000 0.266 252 S C 0.706 175.439 174.600 0.222 0.000 1.258 252 S CA -0.698 57.605 58.200 0.173 0.000 0.990 252 S CB 1.148 64.407 63.200 0.099 0.000 0.967 252 S HN 0.276 nan 8.310 nan 0.000 0.556 253 V N 1.657 121.699 119.914 0.214 0.000 2.392 253 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 253 V C 2.758 179.008 176.094 0.260 0.000 1.059 253 V CA 2.534 65.015 62.300 0.302 0.000 1.051 253 V CB -1.575 30.364 31.823 0.193 0.000 0.658 253 V HN 1.048 nan 8.190 nan 0.000 0.455 254 T N -0.446 114.200 114.554 0.153 0.000 2.746 254 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 254 T C 1.801 176.558 174.700 0.094 0.000 1.039 254 T CA 1.769 63.932 62.100 0.105 0.000 1.142 254 T CB -0.222 68.679 68.868 0.054 0.000 0.866 254 T HN 0.609 nan 8.240 nan 0.000 0.444 255 E N 0.439 120.687 120.200 0.079 0.000 2.072 255 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 255 E C 2.171 178.849 176.600 0.130 0.000 0.985 255 E CA 0.840 57.247 56.400 0.011 0.000 0.801 255 E CB -0.238 29.399 29.700 -0.105 0.000 0.750 255 E HN 0.479 nan 8.360 nan 0.000 0.452 256 I N 0.893 121.618 120.570 0.258 0.000 2.252 256 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 256 I C 2.346 178.524 176.117 0.102 0.000 1.102 256 I CA 1.136 62.556 61.300 0.200 0.000 1.385 256 I CB -0.362 37.566 38.000 -0.120 0.000 1.064 256 I HN 0.081 nan 8.210 nan 0.000 0.414 257 T N 0.390 115.067 114.554 0.205 0.000 2.746 257 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 257 T C 1.104 175.883 174.700 0.131 0.000 1.039 257 T CA 0.703 62.937 62.100 0.223 0.000 1.142 257 T CB -0.534 68.486 68.868 0.255 0.000 0.866 257 T HN 0.391 nan 8.240 nan 0.000 0.444 261 N N 0.516 119.267 118.700 0.086 0.000 2.368 261 N HA 0.037 4.777 4.740 -0.000 0.000 0.176 261 N C 1.203 176.753 175.510 0.066 0.000 1.021 261 N CA 0.953 54.052 53.050 0.081 0.000 0.888 261 N CB 0.459 38.991 38.487 0.076 0.000 0.995 261 N HN 0.201 nan 8.380 nan 0.000 0.437 262 K N -0.066 120.366 120.400 0.054 0.000 2.464 262 K HA 0.246 4.566 4.320 -0.000 0.000 0.206 262 K C 0.592 177.214 176.600 0.037 0.000 1.186 262 K CA 0.301 56.611 56.287 0.039 0.000 0.990 262 K CB 0.873 33.385 32.500 0.020 0.000 1.003 262 K HN 0.043 nan 8.250 nan 0.000 0.562 263 Q N -0.277 119.550 119.800 0.046 0.000 2.127 263 Q HA 0.298 4.638 4.340 -0.000 0.000 0.222 263 Q C 0.241 176.276 176.000 0.057 0.000 0.794 263 Q CA 0.027 55.857 55.803 0.044 0.000 1.010 263 Q CB 1.505 30.270 28.738 0.045 0.000 1.170 263 Q HN -0.050 nan 8.270 nan 0.000 0.479 264 S N -0.947 114.792 115.700 0.065 0.000 2.589 264 S HA 0.779 5.249 4.470 -0.000 0.000 0.272 264 S C 0.664 175.310 174.600 0.077 0.000 1.096 264 S CA 0.014 58.255 58.200 0.069 0.000 0.985 264 S CB 0.697 63.939 63.200 0.070 0.000 1.278 264 S HN 0.464 nan 8.310 nan 0.000 0.528 265 G N 0.602 109.455 108.800 0.088 0.000 2.575 265 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 265 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 265 G C 0.602 175.570 174.900 0.115 0.000 1.264 265 G CA 0.300 45.468 45.100 0.113 0.000 0.935 265 G HN 0.586 nan 8.290 nan 0.000 0.568 266 L N -0.511 120.792 121.223 0.133 0.000 2.079 266 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 266 L C 2.999 179.920 176.870 0.084 0.000 1.081 266 L CA 1.810 56.715 54.840 0.109 0.000 0.752 266 L CB -0.677 41.435 42.059 0.088 0.000 0.896 266 L HN 0.530 nan 8.230 nan 0.000 0.433 267 L N 0.469 121.735 121.223 0.072 0.000 2.017 267 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 267 L C 2.391 179.280 176.870 0.032 0.000 1.073 267 L CA 2.278 57.143 54.840 0.041 0.000 0.745 267 L CB -1.206 40.871 42.059 0.032 0.000 0.894 267 L HN 0.127 nan 8.230 nan 0.000 0.432 268 G N -0.420 108.408 108.800 0.048 0.000 2.418 268 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 268 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 268 G C 1.609 176.537 174.900 0.046 0.000 1.158 268 G CA 1.188 46.316 45.100 0.047 0.000 0.771 268 G HN 0.497 nan 8.290 nan 0.000 0.545 269 I N 0.429 121.033 120.570 0.058 0.000 2.233 269 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 269 I C 2.562 178.713 176.117 0.056 0.000 1.093 269 I CA 1.429 62.764 61.300 0.058 0.000 1.380 269 I CB -0.114 37.929 38.000 0.072 0.000 1.067 269 I HN 0.445 nan 8.210 nan 0.000 0.413 270 C N -1.193 118.147 119.300 0.068 0.000 3.642 270 C HA 0.667 5.127 4.460 -0.000 0.000 0.305 270 C C 1.568 176.622 174.990 0.106 0.000 1.492 270 C CA -0.093 58.980 59.018 0.092 0.000 1.809 270 C CB 0.077 27.883 27.740 0.110 0.000 2.639 270 C HN 0.703 nan 8.230 nan 0.000 0.672 271 G N 0.693 109.501 108.800 0.013 0.000 2.141 271 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.242 271 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.242 271 G C -0.317 174.309 174.900 -0.456 0.000 0.982 271 G CA 0.446 45.442 45.100 -0.173 0.000 0.662 271 G HN 0.829 nan 8.290 nan 0.000 0.527 272 H N -0.184 118.892 119.070 0.010 0.000 2.877 272 H HA 0.259 4.815 4.556 -0.000 0.000 0.347 272 H C 0.924 176.256 175.328 0.006 0.000 1.042 272 H CA -0.172 55.878 56.048 0.004 0.000 1.276 272 H CB 1.388 31.145 29.762 -0.007 0.000 1.681 272 H HN 0.252 nan 8.280 nan 0.000 0.521 273 N N 1.290 120.049 118.700 0.099 0.000 2.415 273 N HA -0.097 4.643 4.740 -0.000 0.000 0.176 273 N C 0.288 175.833 175.510 0.058 0.000 1.042 273 N CA 0.254 53.347 53.050 0.072 0.000 0.902 273 N CB 0.560 39.081 38.487 0.056 0.000 0.986 273 N HN 0.504 nan 8.380 nan 0.000 0.447 277 E N 1.218 121.367 120.200 -0.086 0.000 2.106 277 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 277 E C 1.710 178.204 176.600 -0.178 0.000 0.984 277 E CA 1.684 58.007 56.400 -0.128 0.000 0.806 277 E CB 0.174 29.805 29.700 -0.115 0.000 0.750 277 E HN 0.045 nan 8.360 nan 0.000 0.458 278 V N 1.213 121.047 119.914 -0.134 0.000 2.295 278 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 278 V C 2.307 178.332 176.094 -0.115 0.000 1.049 278 V CA 1.913 64.140 62.300 -0.122 0.000 1.024 278 V CB -0.527 31.245 31.823 -0.085 0.000 0.648 278 V HN 0.190 nan 8.190 nan 0.000 0.447 279 S N -0.543 115.088 115.700 -0.114 0.000 2.370 279 S HA -0.285 4.184 4.470 -0.000 0.000 0.226 279 S C 2.013 176.562 174.600 -0.085 0.000 1.033 279 S CA 1.724 59.865 58.200 -0.098 0.000 1.011 279 S CB -0.345 62.795 63.200 -0.100 0.000 0.852 279 S HN 0.681 nan 8.310 nan 0.000 0.457 280 Q N 0.463 120.207 119.800 -0.094 0.000 2.079 280 Q HA 0.010 4.350 4.340 -0.000 0.000 0.200 280 Q C 2.216 178.163 176.000 -0.089 0.000 0.974 280 Q CA 0.986 56.738 55.803 -0.084 0.000 0.840 280 Q CB -0.328 28.359 28.738 -0.085 0.000 0.898 280 Q HN 0.467 nan 8.270 nan 0.000 0.430 281 L N 0.089 121.240 121.223 -0.120 0.000 2.056 281 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 281 L C 2.514 179.342 176.870 -0.069 0.000 1.078 281 L CA 0.924 55.697 54.840 -0.113 0.000 0.749 281 L CB -0.584 41.371 42.059 -0.173 0.000 0.901 281 L HN 0.227 nan 8.230 nan 0.000 0.433 282 A N 0.056 122.838 122.820 -0.064 0.000 1.902 282 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 282 A C 2.507 180.070 177.584 -0.035 0.000 1.181 282 A CA 1.677 53.690 52.037 -0.041 0.000 0.623 282 A CB -0.685 18.292 19.000 -0.040 0.000 0.818 282 A HN 0.408 nan 8.150 nan 0.000 0.443 283 A N -0.211 122.584 122.820 -0.042 0.000 2.019 283 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 283 A C 1.974 179.540 177.584 -0.030 0.000 1.164 283 A CA 1.729 53.745 52.037 -0.035 0.000 0.644 283 A CB -0.368 18.609 19.000 -0.039 0.000 0.805 283 A HN 0.563 nan 8.150 nan 0.000 0.449 284 K N -1.645 118.734 120.400 -0.034 0.000 2.444 284 K HA 0.243 4.563 4.320 -0.000 0.000 0.193 284 K C 0.952 177.539 176.600 -0.021 0.000 1.024 284 K CA 0.479 56.749 56.287 -0.028 0.000 1.077 284 K CB 0.086 32.566 32.500 -0.033 0.000 0.833 284 K HN 0.645 nan 8.250 nan 0.000 0.517 285 G N 2.418 111.206 108.800 -0.020 0.000 2.163 285 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.213 285 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.213 285 G C -0.488 174.407 174.900 -0.009 0.000 0.991 285 G CA -0.172 44.921 45.100 -0.012 0.000 0.653 285 G HN 0.419 nan 8.290 nan 0.000 0.518 286 D N 0.962 121.354 120.400 -0.013 0.000 2.382 286 D HA 0.487 5.127 4.640 -0.000 0.000 0.259 286 D C 1.913 178.214 176.300 0.002 0.000 1.224 286 D CA 0.821 54.818 54.000 -0.004 0.000 0.894 286 D CB 0.714 41.508 40.800 -0.010 0.000 1.127 286 D HN 0.277 nan 8.370 nan 0.000 0.487 287 S N 3.648 119.353 115.700 0.009 0.000 2.368 287 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 287 S C 1.989 176.600 174.600 0.018 0.000 1.030 287 S CA 0.515 58.722 58.200 0.011 0.000 0.999 287 S CB -0.390 62.817 63.200 0.011 0.000 0.844 287 S HN 0.587 nan 8.310 nan 0.000 0.459 288 L N 1.319 122.558 121.223 0.026 0.000 2.141 288 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 288 L C 3.139 180.032 176.870 0.038 0.000 1.094 288 L CA 1.020 55.882 54.840 0.036 0.000 0.763 288 L CB -0.813 41.274 42.059 0.047 0.000 0.908 288 L HN 0.462 nan 8.230 nan 0.000 0.437 289 A N 0.308 123.145 122.820 0.028 0.000 1.898 289 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 289 A C 2.321 179.907 177.584 0.003 0.000 1.181 289 A CA 1.552 53.596 52.037 0.011 0.000 0.620 289 A CB -0.295 18.692 19.000 -0.022 0.000 0.819 289 A HN 0.293 nan 8.150 nan 0.000 0.442 290 K N -0.869 119.533 120.400 0.004 0.000 2.057 290 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 290 K C 1.918 178.531 176.600 0.022 0.000 1.049 290 K CA 1.414 57.705 56.287 0.007 0.000 0.931 290 K CB -0.375 32.128 32.500 0.005 0.000 0.714 290 K HN 0.391 nan 8.250 nan 0.000 0.440 291 L N 1.137 122.376 121.223 0.027 0.000 2.046 291 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 291 L C 2.204 179.108 176.870 0.057 0.000 1.077 291 L CA 1.788 56.650 54.840 0.036 0.000 0.747 291 L CB -0.719 41.358 42.059 0.031 0.000 0.896 291 L HN 0.129 nan 8.230 nan 0.000 0.432 292 A N -0.184 122.670 122.820 0.057 0.000 1.908 292 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 292 A C 2.293 179.940 177.584 0.105 0.000 1.181 292 A CA 2.282 54.367 52.037 0.081 0.000 0.627 292 A CB -0.956 18.081 19.000 0.062 0.000 0.818 292 A HN 0.534 nan 8.150 nan 0.000 0.445 293 I N -0.485 120.118 120.570 0.055 0.000 2.286 293 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 293 I C 2.455 178.658 176.117 0.143 0.000 1.115 293 I CA 1.171 62.503 61.300 0.053 0.000 1.392 293 I CB -0.305 37.690 38.000 -0.008 0.000 1.065 293 I HN 0.298 nan 8.210 nan 0.000 0.418 294 E N 0.849 121.116 120.200 0.112 0.000 2.047 294 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 294 E C 2.292 178.994 176.600 0.169 0.000 0.987 294 E CA 1.330 57.803 56.400 0.121 0.000 0.799 294 E CB -0.273 29.466 29.700 0.065 0.000 0.752 294 E HN 0.517 nan 8.360 nan 0.000 0.449 295 I N 0.456 121.120 120.570 0.157 0.000 2.179 295 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 295 I C 2.401 178.654 176.117 0.227 0.000 1.088 295 I CA 0.958 62.359 61.300 0.170 0.000 1.357 295 I CB -0.321 37.758 38.000 0.132 0.000 1.051 295 I HN -0.015 nan 8.210 nan 0.000 0.409 296 F N 1.686 121.688 119.950 0.087 0.000 2.069 296 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 296 F C 2.681 178.534 175.800 0.088 0.000 1.113 296 F CA 2.119 60.166 58.000 0.079 0.000 1.214 296 F CB -0.353 38.682 39.000 0.060 0.000 0.978 296 F HN -0.074 nan 8.300 nan 0.000 0.474 297 S N -1.361 114.596 115.700 0.427 0.000 2.383 297 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 297 S C 1.810 176.508 174.600 0.162 0.000 1.026 297 S CA 1.285 59.664 58.200 0.298 0.000 0.981 297 S CB -0.698 62.661 63.200 0.265 0.000 0.818 297 S HN 0.666 nan 8.310 nan 0.000 0.472 298 H N 1.555 120.679 119.070 0.090 0.000 2.389 298 H HA 0.113 4.669 4.556 -0.000 0.000 0.299 298 H C 2.283 177.635 175.328 0.039 0.000 1.081 298 H CA 1.667 57.749 56.048 0.057 0.000 1.345 298 H CB -0.037 29.758 29.762 0.055 0.000 1.393 298 H HN 0.177 nan 8.280 nan 0.000 0.520 299 R N -0.203 120.316 120.500 0.033 0.000 2.092 299 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 299 R C 2.062 178.356 176.300 -0.011 0.000 1.119 299 R CA 1.289 57.391 56.100 0.004 0.000 0.970 299 R CB -0.117 30.209 30.300 0.042 0.000 0.864 299 R HN 0.265 nan 8.270 nan 0.000 0.440 300 V N 0.980 120.827 119.914 -0.111 0.000 2.295 300 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 300 V C 2.480 178.527 176.094 -0.078 0.000 1.049 300 V CA 1.959 64.192 62.300 -0.112 0.000 1.024 300 V CB -0.804 30.955 31.823 -0.106 0.000 0.648 300 V HN 0.511 nan 8.190 nan 0.000 0.447 301 A N -0.351 122.408 122.820 -0.102 0.000 1.908 301 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 301 A C 2.311 179.784 177.584 -0.185 0.000 1.181 301 A CA 2.122 54.072 52.037 -0.145 0.000 0.627 301 A CB -0.479 18.446 19.000 -0.125 0.000 0.818 301 A HN 0.544 nan 8.150 nan 0.000 0.445 302 K N -1.611 118.641 120.400 -0.247 0.000 2.097 302 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 302 K C 1.665 178.112 176.600 -0.256 0.000 1.049 302 K CA 1.580 57.711 56.287 -0.259 0.000 0.933 302 K CB -0.318 32.003 32.500 -0.299 0.000 0.717 302 K HN 0.522 nan 8.250 nan 0.000 0.442 303 F N 0.420 120.182 119.950 -0.314 0.000 2.146 303 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 303 F C 2.262 177.729 175.800 -0.555 0.000 1.096 303 F CA 0.809 58.521 58.000 -0.481 0.000 1.275 303 F CB -0.271 38.437 39.000 -0.487 0.000 1.008 303 F HN -0.225 nan 8.300 nan 0.000 0.480 304 V N -0.094 119.709 119.914 -0.185 0.000 2.295 304 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 304 V C 2.560 178.609 176.094 -0.075 0.000 1.049 304 V CA 1.829 64.036 62.300 -0.155 0.000 1.024 304 V CB -1.335 30.340 31.823 -0.246 0.000 0.648 304 V HN 0.370 nan 8.190 nan 0.000 0.447 305 A N -0.674 122.087 122.820 -0.099 0.000 1.883 305 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 305 A C 2.571 180.142 177.584 -0.022 0.000 1.186 305 A CA 2.427 54.445 52.037 -0.031 0.000 0.624 305 A CB -0.901 18.066 19.000 -0.056 0.000 0.822 305 A HN 0.493 nan 8.150 nan 0.000 0.444 306 S N -1.687 113.946 115.700 -0.111 0.000 2.368 306 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 306 S C 0.981 175.648 174.600 0.112 0.000 1.030 306 S CA 0.546 58.697 58.200 -0.081 0.000 0.999 306 S CB -0.480 62.584 63.200 -0.227 0.000 0.844 306 S HN 0.433 nan 8.310 nan 0.000 0.459 310 Y N 2.103 122.329 120.300 -0.122 0.000 2.583 310 Y HA 0.368 4.918 4.550 -0.000 0.000 0.293 310 Y C 0.189 175.724 175.900 -0.607 0.000 1.157 310 Y CA 0.461 58.288 58.100 -0.455 0.000 1.315 310 Y CB -0.171 37.823 38.460 -0.776 0.000 1.021 310 Y HN 0.079 nan 8.280 nan 0.000 0.536 311 F N -0.471 119.552 119.950 0.122 0.000 2.427 311 F HA 0.291 4.818 4.527 -0.000 0.000 0.348 311 F C 1.054 176.886 175.800 0.053 0.000 1.125 311 F CA -1.424 56.627 58.000 0.085 0.000 0.989 311 F CB 1.086 40.131 39.000 0.075 0.000 1.165 311 F HN -0.232 nan 8.300 nan 0.000 0.442 312 N N 2.051 120.867 118.700 0.193 0.000 2.084 312 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 312 N C 0.147 175.748 175.510 0.151 0.000 1.030 312 N CA 1.447 54.578 53.050 0.134 0.000 0.849 312 N CB 0.210 38.753 38.487 0.093 0.000 1.012 312 N HN 0.393 nan 8.380 nan 0.000 0.423 313 K N 0.046 120.557 120.400 0.185 0.000 2.578 313 K HA 0.335 4.655 4.320 -0.000 0.000 0.250 313 K C -1.907 174.771 176.600 0.130 0.000 0.955 313 K CA -0.738 55.633 56.287 0.140 0.000 0.825 313 K CB 0.880 33.440 32.500 0.101 0.000 1.151 313 K HN 0.097 nan 8.250 nan 0.000 0.432 314 L N 4.530 125.754 121.223 0.001 0.000 2.313 314 L HA 0.325 4.665 4.340 -0.000 0.000 0.282 314 L C 0.250 177.045 176.870 -0.126 0.000 1.092 314 L CA 0.559 55.240 54.840 -0.265 0.000 0.831 314 L CB 0.818 42.597 42.059 -0.468 0.000 1.159 314 L HN 0.770 nan 8.230 nan 0.000 0.442 315 D N 3.904 124.237 120.400 -0.112 0.000 2.097 315 D HA 0.146 4.786 4.640 -0.000 0.000 0.197 315 D C 0.216 176.520 176.300 0.007 0.000 0.984 315 D CA 1.516 55.509 54.000 -0.010 0.000 0.826 315 D CB 0.185 40.996 40.800 0.018 0.000 0.973 315 D HN 0.640 nan 8.370 nan 0.000 0.460 316 A N -0.632 122.152 122.820 -0.061 0.000 2.599 316 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 316 A C -1.937 175.617 177.584 -0.050 0.000 1.055 316 A CA -0.744 51.293 52.037 -0.000 0.000 0.683 316 A CB 0.823 19.834 19.000 0.019 0.000 1.278 316 A HN 0.054 nan 8.150 nan 0.000 0.412 317 L N 1.809 123.049 121.223 0.029 0.000 2.275 317 L HA 0.736 5.076 4.340 -0.000 0.000 0.288 317 L C -0.932 175.841 176.870 -0.162 0.000 1.046 317 L CA -0.137 54.653 54.840 -0.082 0.000 0.805 317 L CB 1.287 43.297 42.059 -0.080 0.000 1.193 317 L HN 0.500 nan 8.230 nan 0.000 0.426 318 V N 5.917 125.702 119.914 -0.214 0.000 2.448 318 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 318 V C -0.387 175.559 176.094 -0.247 0.000 1.025 318 V CA -0.422 61.779 62.300 -0.165 0.000 0.859 318 V CB 1.267 33.048 31.823 -0.070 0.000 0.988 318 V HN 0.528 nan 8.190 nan 0.000 0.431 319 F N 2.682 122.622 119.950 -0.018 0.000 2.404 319 F HA 0.724 5.251 4.527 -0.000 0.000 0.339 319 F C 0.648 176.417 175.800 -0.050 0.000 1.105 319 F CA 0.114 58.100 58.000 -0.022 0.000 1.087 319 F CB 1.989 40.974 39.000 -0.025 0.000 1.143 319 F HN 0.533 nan 8.300 nan 0.000 0.491 320 T N 0.865 115.484 114.554 0.108 0.000 2.731 320 T HA 0.703 5.053 4.350 -0.000 0.000 0.300 320 T C -0.543 174.001 174.700 -0.260 0.000 1.283 320 T CA 0.115 62.183 62.100 -0.053 0.000 1.005 320 T CB 1.198 70.035 68.868 -0.053 0.000 1.420 320 T HN 1.313 nan 8.240 nan 0.000 0.503 321 G N -0.385 108.154 108.800 -0.434 0.000 2.746 321 G HA2 0.187 4.147 3.960 -0.000 0.000 0.685 321 G HA3 0.187 4.147 3.960 -0.000 0.000 0.685 321 G C 0.895 175.636 174.900 -0.264 0.000 1.350 321 G CA 0.076 44.799 45.100 -0.628 0.000 0.837 321 G HN 1.469 nan 8.290 nan 0.000 0.564 322 G N -0.587 108.100 108.800 -0.190 0.000 2.476 322 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 322 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 322 G C 1.876 176.725 174.900 -0.086 0.000 1.164 322 G CA 1.774 46.810 45.100 -0.105 0.000 0.768 322 G HN 0.895 nan 8.290 nan 0.000 0.560 323 I N 0.990 121.520 120.570 -0.067 0.000 2.233 323 I HA -0.013 4.157 4.170 -0.000 0.000 0.243 323 I C 3.122 179.205 176.117 -0.057 0.000 1.093 323 I CA 0.928 62.197 61.300 -0.051 0.000 1.380 323 I CB -0.564 37.436 38.000 0.001 0.000 1.067 323 I HN 0.241 nan 8.210 nan 0.000 0.413 324 G N 0.512 109.297 108.800 -0.024 0.000 2.442 324 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.219 324 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.219 324 G C 1.504 176.381 174.900 -0.038 0.000 1.141 324 G CA 0.674 45.787 45.100 0.021 0.000 0.763 324 G HN 0.438 nan 8.290 nan 0.000 0.554 325 E N 0.083 120.248 120.200 -0.058 0.000 2.216 325 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 325 E C 1.717 178.277 176.600 -0.068 0.000 0.988 325 E CA 0.598 56.965 56.400 -0.055 0.000 0.834 325 E CB 0.117 29.779 29.700 -0.063 0.000 0.772 325 E HN 0.370 nan 8.360 nan 0.000 0.479 326 N N -0.257 118.394 118.700 -0.081 0.000 2.257 326 N HA 0.102 4.842 4.740 -0.000 0.000 0.200 326 N C -0.174 175.283 175.510 -0.088 0.000 1.163 326 N CA 0.148 53.153 53.050 -0.076 0.000 0.891 326 N CB 1.124 39.570 38.487 -0.068 0.000 1.067 326 N HN -0.080 nan 8.380 nan 0.000 0.497 327 A N 1.068 123.820 122.820 -0.112 0.000 2.774 327 A HA 0.634 4.954 4.320 -0.000 0.000 0.326 327 A C 1.285 178.782 177.584 -0.144 0.000 1.478 327 A CA -0.285 51.679 52.037 -0.121 0.000 1.099 327 A CB 0.038 18.960 19.000 -0.130 0.000 1.148 327 A HN 0.196 nan 8.150 nan 0.000 0.519 328 A N 2.709 125.462 122.820 -0.111 0.000 1.933 328 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 328 A C 2.047 179.575 177.584 -0.093 0.000 1.175 328 A CA 1.706 53.680 52.037 -0.106 0.000 0.628 328 A CB -0.517 18.450 19.000 -0.055 0.000 0.814 328 A HN 0.872 nan 8.150 nan 0.000 0.444 329 N N 0.587 119.244 118.700 -0.072 0.000 2.166 329 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 329 N C 1.431 176.905 175.510 -0.061 0.000 1.019 329 N CA 1.818 54.839 53.050 -0.050 0.000 0.856 329 N CB -0.497 37.961 38.487 -0.048 0.000 0.993 329 N HN 0.391 nan 8.380 nan 0.000 0.426 330 I N 1.263 121.773 120.570 -0.099 0.000 2.286 330 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 330 I C 2.535 178.583 176.117 -0.114 0.000 1.104 330 I CA 0.683 61.933 61.300 -0.082 0.000 1.397 330 I CB -0.889 37.047 38.000 -0.106 0.000 1.072 330 I HN 0.147 nan 8.210 nan 0.000 0.417 331 R N 0.899 121.230 120.500 -0.282 0.000 2.081 331 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 331 R C 2.275 178.463 176.300 -0.187 0.000 1.131 331 R CA 1.437 57.233 56.100 -0.507 0.000 0.960 331 R CB -0.324 29.530 30.300 -0.744 0.000 0.856 331 R HN 0.330 nan 8.270 nan 0.000 0.436 332 K N 0.774 121.114 120.400 -0.101 0.000 2.057 332 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 332 K C 2.000 178.620 176.600 0.034 0.000 1.049 332 K CA 1.478 57.758 56.287 -0.012 0.000 0.931 332 K CB -0.112 32.413 32.500 0.042 0.000 0.714 332 K HN 0.053 nan 8.250 nan 0.000 0.440 333 N N 1.273 119.993 118.700 0.033 0.000 2.058 333 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 333 N C 1.877 177.441 175.510 0.090 0.000 1.037 333 N CA 1.527 54.617 53.050 0.066 0.000 0.848 333 N CB -0.146 38.381 38.487 0.067 0.000 1.021 333 N HN 0.252 nan 8.380 nan 0.000 0.422 334 I N 0.958 121.589 120.570 0.102 0.000 2.163 334 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 334 I C 2.036 178.213 176.117 0.099 0.000 1.085 334 I CA 0.683 62.060 61.300 0.129 0.000 1.347 334 I CB -0.167 37.965 38.000 0.220 0.000 1.044 334 I HN 0.133 nan 8.210 nan 0.000 0.408 335 I N 0.753 121.389 120.570 0.111 0.000 2.286 335 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 335 I C 2.888 179.066 176.117 0.102 0.000 1.115 335 I CA 1.813 63.176 61.300 0.105 0.000 1.392 335 I CB -1.494 36.585 38.000 0.132 0.000 1.065 335 I HN 0.348 nan 8.210 nan 0.000 0.418 336 S N 1.373 117.129 115.700 0.093 0.000 2.370 336 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 336 S C 1.848 176.507 174.600 0.099 0.000 1.033 336 S CA 1.070 59.328 58.200 0.098 0.000 1.011 336 S CB -0.564 62.693 63.200 0.095 0.000 0.852 336 S HN 0.453 nan 8.310 nan 0.000 0.457 337 K N 0.669 121.125 120.400 0.094 0.000 2.439 337 K HA 0.210 4.530 4.320 -0.000 0.000 0.197 337 K C 1.110 177.755 176.600 0.076 0.000 1.041 337 K CA 0.597 56.941 56.287 0.095 0.000 0.970 337 K CB -0.256 32.309 32.500 0.108 0.000 0.773 337 K HN 0.421 nan 8.250 nan 0.000 0.479 338 L N -0.167 121.101 121.223 0.076 0.000 2.769 338 L HA 0.197 4.537 4.340 -0.000 0.000 0.240 338 L C 1.834 178.840 176.870 0.227 0.000 1.163 338 L CA -0.266 54.635 54.840 0.102 0.000 0.962 338 L CB 0.217 42.232 42.059 -0.073 0.000 1.258 338 L HN 0.059 nan 8.230 nan 0.000 0.513 339 A N 0.603 123.524 122.820 0.169 0.000 1.948 339 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 339 A C 1.920 179.592 177.584 0.147 0.000 1.177 339 A CA 1.862 53.994 52.037 0.158 0.000 0.636 339 A CB -0.360 18.707 19.000 0.112 0.000 0.815 339 A HN 0.454 nan 8.150 nan 0.000 0.449 340 N N -0.731 118.048 118.700 0.132 0.000 2.512 340 N HA -0.025 4.714 4.740 -0.000 0.000 0.183 340 N C 0.661 176.250 175.510 0.130 0.000 1.073 340 N CA 0.736 53.851 53.050 0.108 0.000 0.911 340 N CB -0.114 38.426 38.487 0.088 0.000 0.964 340 N HN 0.335 nan 8.380 nan 0.000 0.447 341 L N -0.645 120.705 121.223 0.211 0.000 2.700 341 L HA 0.314 4.654 4.340 -0.000 0.000 0.234 341 L C 1.172 178.172 176.870 0.217 0.000 1.156 341 L CA 0.044 55.041 54.840 0.262 0.000 0.946 341 L CB -0.214 42.084 42.059 0.398 0.000 1.216 341 L HN 0.163 nan 8.230 nan 0.000 0.493 342 G N -1.482 107.391 108.800 0.123 0.000 2.142 342 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.225 342 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.225 342 G C 0.188 174.982 174.900 -0.177 0.000 1.015 342 G CA -0.126 44.923 45.100 -0.085 0.000 0.716 342 G HN 0.171 nan 8.290 nan 0.000 0.508 346 D N 5.580 125.924 120.400 -0.093 0.000 2.359 346 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 346 D C 0.833 177.090 176.300 -0.071 0.000 1.118 346 D CA 0.035 54.001 54.000 -0.056 0.000 0.844 346 D CB 0.758 41.568 40.800 0.017 0.000 1.059 346 D HN 0.518 nan 8.370 nan 0.000 0.493 347 H N 2.619 121.709 119.070 0.034 0.000 2.387 347 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 347 H C 1.609 176.948 175.328 0.017 0.000 1.090 347 H CA 1.269 57.330 56.048 0.022 0.000 1.332 347 H CB 0.333 30.105 29.762 0.016 0.000 1.386 347 H HN 0.609 nan 8.280 nan 0.000 0.516 348 Q N 1.459 121.336 119.800 0.129 0.000 2.046 348 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 348 Q C 1.930 177.963 176.000 0.055 0.000 0.975 348 Q CA 1.279 57.129 55.803 0.077 0.000 0.836 348 Q CB 0.172 28.946 28.738 0.061 0.000 0.896 348 Q HN 0.350 nan 8.270 nan 0.000 0.428 349 K N 0.293 120.724 120.400 0.051 0.000 2.097 349 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 349 K C 1.944 178.566 176.600 0.037 0.000 1.049 349 K CA 1.317 57.634 56.287 0.049 0.000 0.933 349 K CB -0.169 32.371 32.500 0.066 0.000 0.717 349 K HN 0.187 nan 8.250 nan 0.000 0.442 350 N N 1.011 119.725 118.700 0.024 0.000 2.120 350 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 350 N C 1.691 177.201 175.510 0.001 0.000 1.024 350 N CA 1.885 54.934 53.050 -0.001 0.000 0.852 350 N CB -0.165 38.305 38.487 -0.027 0.000 1.003 350 N HN 0.145 nan 8.380 nan 0.000 0.424 351 S N -0.723 114.992 115.700 0.025 0.000 2.419 351 S HA -0.054 4.415 4.470 -0.000 0.000 0.235 351 S C 1.285 175.888 174.600 0.005 0.000 1.019 351 S CA 0.930 59.140 58.200 0.017 0.000 0.982 351 S CB -0.350 62.869 63.200 0.032 0.000 0.789 351 S HN 0.327 nan 8.310 nan 0.000 0.490 352 N N 0.922 119.628 118.700 0.011 0.000 2.280 352 N HA 0.198 4.938 4.740 -0.000 0.000 0.192 352 N C -0.307 175.205 175.510 0.003 0.000 1.109 352 N CA 0.553 53.608 53.050 0.008 0.000 0.855 352 N CB 0.311 38.809 38.487 0.017 0.000 0.974 352 N HN 0.346 nan 8.380 nan 0.000 0.482 353 S N 1.240 116.937 115.700 -0.004 0.000 3.631 353 S HA -0.161 4.309 4.470 -0.000 0.000 0.366 353 S C 0.211 174.814 174.600 0.005 0.000 0.993 353 S CA 0.623 58.816 58.200 -0.012 0.000 1.167 353 S CB -1.216 61.968 63.200 -0.026 0.000 0.909 353 S HN 0.424 nan 8.310 nan 0.000 0.478 354 E N 0.309 120.524 120.200 0.026 0.000 2.397 354 E HA 0.148 4.498 4.350 -0.000 0.000 0.254 354 E C 1.533 178.153 176.600 0.034 0.000 1.231 354 E CA -0.063 56.364 56.400 0.045 0.000 0.954 354 E CB 0.262 30.007 29.700 0.075 0.000 1.024 354 E HN 0.281 nan 8.360 nan 0.000 0.481 355 T N 0.563 115.140 114.554 0.038 0.000 2.746 355 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 355 T C 0.229 174.787 174.700 -0.237 0.000 1.039 355 T CA 1.320 63.377 62.100 -0.072 0.000 1.142 355 T CB -0.105 68.743 68.868 -0.033 0.000 0.866 355 T HN 0.208 nan 8.240 nan 0.000 0.444 356 F N 0.460 120.435 119.950 0.041 0.000 2.458 356 F HA 0.470 4.996 4.527 -0.000 0.000 0.336 356 F C 0.866 176.696 175.800 0.049 0.000 1.114 356 F CA -1.312 56.718 58.000 0.050 0.000 0.987 356 F CB 1.248 40.271 39.000 0.038 0.000 1.130 356 F HN -0.022 nan 8.300 nan 0.000 0.458 357 I N -0.358 120.341 120.570 0.214 0.000 4.225 357 I HA 0.243 4.413 4.170 -0.000 0.000 0.327 357 I C -0.023 176.170 176.117 0.127 0.000 1.422 357 I CA -0.495 60.887 61.300 0.137 0.000 1.150 357 I CB -0.089 37.963 38.000 0.088 0.000 1.192 357 I HN 0.428 nan 8.210 nan 0.000 0.440 358 N N 2.516 121.323 118.700 0.178 0.000 2.513 358 N HA 0.146 4.886 4.740 -0.000 0.000 0.274 358 N C 0.117 175.676 175.510 0.081 0.000 1.189 358 N CA 0.003 53.137 53.050 0.141 0.000 0.975 358 N CB 1.308 39.903 38.487 0.180 0.000 1.157 358 N HN 0.354 nan 8.380 nan 0.000 0.465 359 S N 0.515 116.242 115.700 0.046 0.000 2.652 359 S HA 0.148 4.618 4.470 -0.000 0.000 0.267 359 S C 1.068 175.671 174.600 0.006 0.000 1.201 359 S CA -0.578 57.634 58.200 0.021 0.000 0.996 359 S CB 1.060 64.267 63.200 0.012 0.000 1.054 359 S HN 0.620 nan 8.310 nan 0.000 0.561 360 K N 0.566 120.961 120.400 -0.008 0.000 2.057 360 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 360 K C 0.056 176.630 176.600 -0.043 0.000 1.049 360 K CA 1.219 57.490 56.287 -0.027 0.000 0.931 360 K CB -0.411 32.074 32.500 -0.025 0.000 0.714 360 K HN 0.496 nan 8.250 nan 0.000 0.440 361 N N 1.396 120.071 118.700 -0.042 0.000 3.188 361 N HA 0.055 4.795 4.740 -0.000 0.000 0.279 361 N C -1.077 174.373 175.510 -0.099 0.000 1.213 361 N CA 0.118 53.126 53.050 -0.069 0.000 1.138 361 N CB 1.081 39.537 38.487 -0.052 0.000 1.417 361 N HN -0.009 nan 8.380 nan 0.000 0.526 362 S N -0.009 115.611 115.700 -0.132 0.000 2.567 362 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 362 S C -1.044 173.418 174.600 -0.230 0.000 1.152 362 S CA -0.727 57.364 58.200 -0.182 0.000 0.835 362 S CB 0.663 63.846 63.200 -0.027 0.000 1.115 362 S HN 0.351 nan 8.310 nan 0.000 0.459 363 H N 2.233 121.149 119.070 -0.257 0.000 2.929 363 H HA 0.134 4.690 4.556 -0.000 0.000 0.358 363 H C 0.409 175.723 175.328 -0.023 0.000 1.111 363 H CA 0.384 56.293 56.048 -0.231 0.000 1.409 363 H CB 0.202 29.643 29.762 -0.535 0.000 1.373 363 H HN 0.539 nan 8.280 nan 0.000 0.610 364 N N 1.594 120.405 118.700 0.185 0.000 2.412 364 N HA 0.026 4.766 4.740 -0.000 0.000 0.254 364 N C 0.400 176.073 175.510 0.271 0.000 1.232 364 N CA 0.558 53.770 53.050 0.270 0.000 0.880 364 N CB 0.590 39.276 38.487 0.332 0.000 1.076 364 N HN 0.400 nan 8.380 nan 0.000 0.458 368 I N 3.535 124.099 120.570 -0.010 0.000 2.499 368 I HA 0.739 4.909 4.170 -0.000 0.000 0.288 368 I C 0.572 176.698 176.117 0.015 0.000 1.048 368 I CA -0.808 60.483 61.300 -0.017 0.000 1.062 368 I CB 2.181 40.158 38.000 -0.037 0.000 1.238 368 I HN 0.740 nan 8.210 nan 0.000 0.426 369 A N 4.272 127.106 122.820 0.025 0.000 2.492 369 A HA 0.345 4.665 4.320 -0.000 0.000 0.254 369 A C 0.304 177.934 177.584 0.077 0.000 1.091 369 A CA 0.217 52.266 52.037 0.018 0.000 0.768 369 A CB 0.314 19.317 19.000 0.005 0.000 1.028 369 A HN 0.704 nan 8.150 nan 0.000 0.498 370 T N 1.284 115.842 114.554 0.006 0.000 2.882 370 T HA 0.332 4.682 4.350 -0.000 0.000 0.287 370 T C 0.088 174.650 174.700 -0.230 0.000 1.014 370 T CA -0.302 61.794 62.100 -0.007 0.000 1.049 370 T CB 0.090 68.947 68.868 -0.018 0.000 1.001 370 T HN 0.691 nan 8.240 nan 0.000 0.525 371 N N 2.181 120.485 118.700 -0.661 0.000 2.716 371 N HA 0.190 4.929 4.740 -0.000 0.000 0.245 371 N C 0.507 175.605 175.510 -0.688 0.000 1.495 371 N CA -0.283 52.356 53.050 -0.683 0.000 0.759 371 N CB 0.693 38.735 38.487 -0.742 0.000 1.261 371 N HN 0.694 nan 8.380 nan 0.000 0.515 372 E N 0.192 120.162 120.200 -0.382 0.000 2.110 372 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 372 E C 0.677 177.144 176.600 -0.221 0.000 0.988 372 E CA 1.425 57.669 56.400 -0.260 0.000 0.804 372 E CB 0.370 29.977 29.700 -0.156 0.000 0.745 372 E HN 0.489 nan 8.360 nan 0.000 0.458 373 E N 0.665 120.741 120.200 -0.207 0.000 2.051 373 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 373 E C 0.802 177.306 176.600 -0.160 0.000 0.991 373 E CA 0.330 56.634 56.400 -0.161 0.000 0.799 373 E CB -0.164 29.449 29.700 -0.145 0.000 0.748 373 E HN 0.085 nan 8.360 nan 0.000 0.449 377 A N 0.947 123.711 122.820 -0.095 0.000 1.902 377 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 377 A C 2.010 179.545 177.584 -0.081 0.000 1.181 377 A CA 2.153 54.138 52.037 -0.087 0.000 0.623 377 A CB -0.501 18.449 19.000 -0.084 0.000 0.818 377 A HN 0.555 nan 8.150 nan 0.000 0.443 378 Q N -0.784 118.974 119.800 -0.070 0.000 2.079 378 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 378 Q C 2.008 177.977 176.000 -0.051 0.000 0.974 378 Q CA 1.256 57.022 55.803 -0.062 0.000 0.840 378 Q CB -0.152 28.565 28.738 -0.034 0.000 0.898 378 Q HN 0.592 nan 8.270 nan 0.000 0.430 379 E N 0.120 120.292 120.200 -0.046 0.000 2.118 379 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 379 E C 2.032 178.607 176.600 -0.043 0.000 0.992 379 E CA 1.470 57.848 56.400 -0.037 0.000 0.804 379 E CB -0.189 29.483 29.700 -0.046 0.000 0.741 379 E HN 0.347 nan 8.360 nan 0.000 0.458 380 T N 1.164 115.683 114.554 -0.059 0.000 2.701 380 T HA -0.183 4.167 4.350 -0.000 0.000 0.263 380 T C 1.917 176.590 174.700 -0.044 0.000 1.040 380 T CA 1.573 63.640 62.100 -0.055 0.000 1.147 380 T CB -0.235 68.592 68.868 -0.069 0.000 0.865 380 T HN 0.078 nan 8.240 nan 0.000 0.426 381 Q N 1.744 121.510 119.800 -0.058 0.000 2.152 381 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 381 Q C 1.936 177.913 176.000 -0.038 0.000 0.985 381 Q CA 1.575 57.341 55.803 -0.061 0.000 0.863 381 Q CB -0.574 28.092 28.738 -0.120 0.000 0.904 381 Q HN 0.329 nan 8.270 nan 0.000 0.422 382 N N -0.535 118.146 118.700 -0.032 0.000 2.289 382 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 382 N C 1.103 176.614 175.510 0.001 0.000 1.016 382 N CA 1.105 54.148 53.050 -0.012 0.000 0.872 382 N CB -0.014 38.469 38.487 -0.006 0.000 0.973 382 N HN 0.361 nan 8.380 nan 0.000 0.433 383 L N 0.422 121.645 121.223 -0.000 0.000 2.554 383 L HA 0.272 4.612 4.340 -0.000 0.000 0.225 383 L C 1.072 177.950 176.870 0.013 0.000 1.104 383 L CA -0.097 54.750 54.840 0.010 0.000 0.866 383 L CB 0.042 42.107 42.059 0.009 0.000 1.047 383 L HN 0.083 nan 8.230 nan 0.000 0.468 384 I N 0.000 120.575 120.570 0.009 0.000 2.984 384 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 384 I CA 0.000 61.309 61.300 0.015 0.000 1.566 384 I CB 0.000 38.007 38.000 0.012 0.000 1.214 384 I HN 0.000 nan 8.210 nan 0.000 0.494