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 2boa_1_A DATA FIRST_RESID 4 DATA SEQUENCE REKFFGDQVL RINVRNGDEI SKLSQLSNNL KLNFWKSPXX XXSSFNRPVD DATA SEQUENCE VLVPSVSLQA FKSFLRSQGL EYAVTIEDLQ ALLDNEDDEM QHNEGQXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXERS DATA SEQUENCE SNNFNYGAYH SLEAIYHEMD NIAADFPDLA RRVKIGHSFE NRPMYVLKFS DATA SEQUENCE TKGVRRPAVW LNAGIHSREW ISQATAIWTA RKIVSDYQRD PAITSILEKM DATA SEQUENCE DIFLLPVANP DGYVYTQTQN RLWRKTRSRN PGSScIGADP NRNWNASFAG DATA SEQUENCE KGASDNPcSE VYHGPHANSE VEVKSVVDFI QKHGNFKGFI DLHSYSQLLM DATA SEQUENCE YPYGYSVKKA PDAEELDKVA RLAAKALASV SGTEYQVGPT CTTVYPASGS DATA SEQUENCE SIDWAYDNGI KFAFTFELRD TGTYGFLLPA NQIIPTAEET WLGLKTIMEH DATA SEQUENCE VRDNLY 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.204 176.300 -0.160 0.000 0.893 4 R CA 0.000 56.028 56.100 -0.120 0.000 0.921 4 R CB 0.000 30.244 30.300 -0.094 0.000 0.687 5 E N 2.532 122.607 120.200 -0.208 0.000 2.417 5 E HA 0.086 4.447 4.350 0.019 0.000 0.261 5 E C -0.781 175.488 176.600 -0.552 0.000 1.000 5 E CA 0.416 56.584 56.400 -0.388 0.000 0.919 5 E CB 0.570 30.040 29.700 -0.383 0.000 0.955 5 E HN 0.119 nan 8.360 nan 0.000 0.455 6 K N 2.957 122.972 120.400 -0.642 0.000 2.156 6 K HA 0.357 4.689 4.320 0.019 0.000 0.254 6 K C -0.528 175.529 176.600 -0.905 0.000 0.950 6 K CA -0.543 55.345 56.287 -0.665 0.000 0.849 6 K CB 0.842 33.092 32.500 -0.415 0.000 1.100 6 K HN 0.449 nan 8.250 nan 0.000 0.434 7 F N 1.626 121.358 119.950 -0.364 0.000 2.761 7 F HA 0.332 4.869 4.527 0.017 0.000 0.367 7 F C -0.149 175.546 175.800 -0.175 0.000 1.386 7 F CA -0.692 57.191 58.000 -0.196 0.000 1.177 7 F CB -0.034 38.897 39.000 -0.116 0.000 1.092 7 F HN 0.306 nan 8.300 nan 0.000 0.517 8 F N 0.983 120.978 119.950 0.075 0.000 2.506 8 F HA 0.401 4.940 4.527 0.020 0.000 0.371 8 F C 1.480 177.301 175.800 0.036 0.000 1.078 8 F CA 0.512 58.540 58.000 0.047 0.000 1.195 8 F CB 0.618 39.626 39.000 0.013 0.000 1.099 8 F HN 0.510 nan 8.300 nan 0.000 0.548 9 G N 2.119 111.050 108.800 0.219 0.000 2.205 9 G HA2 -0.303 3.668 3.960 0.019 0.000 0.261 9 G HA3 -0.303 3.668 3.960 0.019 0.000 0.261 9 G C -0.175 174.766 174.900 0.069 0.000 0.980 9 G CA -0.192 44.979 45.100 0.118 0.000 0.632 9 G HN 0.584 nan 8.290 nan 0.000 0.533 10 D N 1.276 121.723 120.400 0.078 0.000 2.455 10 D HA 0.480 5.132 4.640 0.019 0.000 0.241 10 D C 0.743 177.018 176.300 -0.042 0.000 1.138 10 D CA 0.765 54.783 54.000 0.030 0.000 0.877 10 D CB 0.539 41.399 40.800 0.101 0.000 1.187 10 D HN 0.522 nan 8.370 nan 0.000 0.451 11 Q N 0.532 120.273 119.800 -0.098 0.000 2.375 11 Q HA 0.515 4.867 4.340 0.019 0.000 0.271 11 Q C -1.061 174.784 176.000 -0.259 0.000 1.074 11 Q CA -1.038 54.679 55.803 -0.144 0.000 0.808 11 Q CB 2.532 31.221 28.738 -0.081 0.000 1.327 11 Q HN 0.194 nan 8.270 nan 0.000 0.441 12 V N 3.828 123.533 119.914 -0.347 0.000 2.461 12 V HA 0.312 4.443 4.120 0.019 0.000 0.275 12 V C -0.183 175.768 176.094 -0.237 0.000 1.047 12 V CA -0.279 61.743 62.300 -0.462 0.000 0.955 12 V CB 0.477 31.877 31.823 -0.706 0.000 0.988 12 V HN 0.556 nan 8.190 nan 0.000 0.471 13 L N 5.468 126.589 121.223 -0.170 0.000 2.329 13 L HA 0.647 4.999 4.340 0.019 0.000 0.279 13 L C 0.037 176.914 176.870 0.012 0.000 1.014 13 L CA -0.655 54.170 54.840 -0.024 0.000 0.814 13 L CB 1.941 44.019 42.059 0.031 0.000 1.257 13 L HN 0.577 nan 8.230 nan 0.000 0.424 14 R N 2.758 123.295 120.500 0.062 0.000 2.295 14 R HA 0.661 5.013 4.340 0.019 0.000 0.324 14 R C -1.363 175.003 176.300 0.111 0.000 0.968 14 R CA -0.521 55.622 56.100 0.073 0.000 0.837 14 R CB 1.041 31.369 30.300 0.047 0.000 1.133 14 R HN 0.501 nan 8.270 nan 0.000 0.450 15 I N 3.674 124.312 120.570 0.113 0.000 2.436 15 I HA 0.260 4.442 4.170 0.019 0.000 0.289 15 I C -0.457 175.712 176.117 0.087 0.000 1.010 15 I CA -0.689 60.681 61.300 0.117 0.000 1.098 15 I CB 1.864 39.949 38.000 0.142 0.000 1.266 15 I HN 0.526 nan 8.210 nan 0.000 0.434 16 N N 4.628 123.365 118.700 0.061 0.000 2.520 16 N HA 0.412 5.164 4.740 0.019 0.000 0.273 16 N C -0.979 174.557 175.510 0.043 0.000 1.155 16 N CA -0.077 53.000 53.050 0.044 0.000 0.967 16 N CB 2.023 40.524 38.487 0.024 0.000 1.092 16 N HN 0.316 nan 8.380 nan 0.000 0.457 17 V N 2.813 122.753 119.914 0.044 0.000 2.760 17 V HA 0.376 4.508 4.120 0.019 0.000 0.309 17 V C 0.171 176.289 176.094 0.040 0.000 1.077 17 V CA -0.459 61.863 62.300 0.038 0.000 0.910 17 V CB 2.198 34.045 31.823 0.039 0.000 1.008 17 V HN 0.648 nan 8.190 nan 0.000 0.424 18 R N 2.925 123.449 120.500 0.039 0.000 2.225 18 R HA 0.436 4.788 4.340 0.019 0.000 0.194 18 R C 0.480 176.821 176.300 0.069 0.000 0.949 18 R CA 0.710 56.849 56.100 0.065 0.000 1.088 18 R CB 0.388 30.720 30.300 0.053 0.000 1.106 18 R HN 0.872 nan 8.270 nan 0.000 0.566 19 N N -2.568 116.153 118.700 0.035 0.000 3.204 19 N HA 0.162 4.913 4.740 0.019 0.000 0.285 19 N C 0.414 175.926 175.510 0.004 0.000 1.536 19 N CA -0.280 52.786 53.050 0.027 0.000 0.832 19 N CB 0.642 39.154 38.487 0.041 0.000 1.645 19 N HN -0.014 nan 8.380 nan 0.000 0.586 20 G N -0.302 108.500 108.800 0.003 0.000 2.470 20 G HA2 -0.289 3.683 3.960 0.019 0.000 0.220 20 G HA3 -0.289 3.683 3.960 0.019 0.000 0.220 20 G C 0.894 175.803 174.900 0.015 0.000 1.121 20 G CA 1.405 46.506 45.100 0.001 0.000 0.766 20 G HN 0.772 nan 8.290 nan 0.000 0.553 21 D N 0.516 120.928 120.400 0.020 0.000 2.078 21 D HA -0.103 4.548 4.640 0.019 0.000 0.193 21 D C 2.324 178.643 176.300 0.033 0.000 0.990 21 D CA 1.485 55.500 54.000 0.025 0.000 0.827 21 D CB -0.127 40.684 40.800 0.018 0.000 0.975 21 D HN 0.420 nan 8.370 nan 0.000 0.451 22 E N -0.490 119.725 120.200 0.025 0.000 2.072 22 E HA -0.091 4.270 4.350 0.019 0.000 0.191 22 E C 2.331 178.965 176.600 0.057 0.000 0.985 22 E CA 0.561 56.980 56.400 0.032 0.000 0.801 22 E CB -0.026 29.685 29.700 0.018 0.000 0.750 22 E HN 0.379 nan 8.360 nan 0.000 0.452 23 I N 0.346 120.936 120.570 0.033 0.000 2.179 23 I HA -0.294 3.888 4.170 0.019 0.000 0.242 23 I C 2.527 178.666 176.117 0.036 0.000 1.088 23 I CA 0.991 62.303 61.300 0.021 0.000 1.357 23 I CB -0.085 37.898 38.000 -0.027 0.000 1.051 23 I HN 0.037 nan 8.210 nan 0.000 0.409 24 S N -0.081 115.641 115.700 0.037 0.000 2.368 24 S HA -0.202 4.279 4.470 0.019 0.000 0.224 24 S C 2.058 176.707 174.600 0.082 0.000 1.029 24 S CA 1.452 59.677 58.200 0.042 0.000 0.988 24 S CB -0.082 63.138 63.200 0.033 0.000 0.838 24 S HN 0.194 nan 8.310 nan 0.000 0.462 25 K N 0.849 121.320 120.400 0.117 0.000 2.097 25 K HA 0.108 4.439 4.320 0.019 0.000 0.206 25 K C 1.982 178.746 176.600 0.272 0.000 1.049 25 K CA 0.880 57.282 56.287 0.192 0.000 0.933 25 K CB -0.260 32.376 32.500 0.227 0.000 0.717 25 K HN 0.300 nan 8.250 nan 0.000 0.442 26 L N -0.151 121.235 121.223 0.272 0.000 2.072 26 L HA -0.155 4.196 4.340 0.019 0.000 0.205 26 L C 2.025 179.082 176.870 0.312 0.000 1.079 26 L CA 1.254 56.312 54.840 0.363 0.000 0.752 26 L CB -0.289 41.980 42.059 0.350 0.000 0.906 26 L HN 0.219 nan 8.230 nan 0.000 0.436 27 S N -0.454 115.329 115.700 0.139 0.000 2.359 27 S HA -0.292 4.189 4.470 0.019 0.000 0.224 27 S C 1.765 176.400 174.600 0.059 0.000 1.035 27 S CA 1.587 59.793 58.200 0.009 0.000 1.018 27 S CB -0.094 63.078 63.200 -0.047 0.000 0.876 27 S HN 0.415 nan 8.310 nan 0.000 0.448 28 Q N 0.343 120.189 119.800 0.075 0.000 2.020 28 Q HA 0.004 4.356 4.340 0.019 0.000 0.202 28 Q C 1.392 177.424 176.000 0.053 0.000 0.982 28 Q CA 0.925 56.761 55.803 0.055 0.000 0.838 28 Q CB -0.294 28.477 28.738 0.055 0.000 0.899 28 Q HN 0.370 nan 8.270 nan 0.000 0.423 29 L N 1.678 122.941 121.223 0.067 0.000 5.683 29 L HA -0.083 4.268 4.340 0.019 0.000 0.274 29 L C -0.368 176.494 176.870 -0.014 0.000 1.518 29 L CA 0.585 55.409 54.840 -0.028 0.000 0.827 29 L CB -1.145 40.850 42.059 -0.106 0.000 1.416 29 L HN 0.228 nan 8.230 nan 0.000 0.359 30 S N 0.249 115.954 115.700 0.010 0.000 4.031 30 S HA -0.279 4.203 4.470 0.019 0.000 0.685 30 S C 0.773 175.364 174.600 -0.015 0.000 0.953 30 S CA 0.709 58.905 58.200 -0.006 0.000 1.240 30 S CB -0.649 62.544 63.200 -0.011 0.000 1.832 30 S HN 0.776 nan 8.310 nan 0.000 0.446 31 N N 3.791 122.482 118.700 -0.016 0.000 2.715 31 N HA 0.083 4.835 4.740 0.019 0.000 0.254 31 N C -0.327 175.160 175.510 -0.038 0.000 1.306 31 N CA -0.079 52.957 53.050 -0.023 0.000 0.956 31 N CB -0.071 38.409 38.487 -0.013 0.000 1.296 31 N HN 0.507 nan 8.380 nan 0.000 0.512 32 N N 1.160 119.830 118.700 -0.049 0.000 2.447 32 N HA 0.014 4.765 4.740 0.019 0.000 0.263 32 N C 1.059 176.516 175.510 -0.087 0.000 1.226 32 N CA 0.342 53.354 53.050 -0.064 0.000 0.906 32 N CB 0.723 39.163 38.487 -0.078 0.000 1.060 32 N HN 0.250 nan 8.380 nan 0.000 0.468 33 L N 0.264 121.439 121.223 -0.079 0.000 3.803 33 L HA -0.332 4.019 4.340 0.019 0.000 0.407 33 L C 0.180 176.978 176.870 -0.120 0.000 0.735 33 L CA 0.717 55.494 54.840 -0.105 0.000 2.621 33 L CB -1.245 40.725 42.059 -0.147 0.000 1.075 33 L HN 0.653 nan 8.230 nan 0.000 0.644 34 K N 0.003 120.346 120.400 -0.096 0.000 3.117 34 K HA -0.132 4.199 4.320 0.019 0.000 0.269 34 K C -0.196 176.343 176.600 -0.101 0.000 1.098 34 K CA 0.890 57.137 56.287 -0.066 0.000 0.785 34 K CB -1.706 30.775 32.500 -0.032 0.000 1.242 34 K HN 0.418 nan 8.250 nan 0.000 0.491 35 L N 0.775 121.887 121.223 -0.185 0.000 2.319 35 L HA 0.197 4.549 4.340 0.019 0.000 0.280 35 L C 0.883 177.650 176.870 -0.172 0.000 1.099 35 L CA -0.353 54.308 54.840 -0.298 0.000 0.828 35 L CB 0.710 42.417 42.059 -0.587 0.000 1.150 35 L HN 0.208 nan 8.230 nan 0.000 0.442 36 N N 3.285 121.917 118.700 -0.114 0.000 2.457 36 N HA 0.248 4.999 4.740 0.019 0.000 0.250 36 N C -0.850 174.711 175.510 0.084 0.000 0.982 36 N CA -0.617 52.467 53.050 0.058 0.000 0.941 36 N CB 0.606 39.197 38.487 0.172 0.000 1.120 36 N HN 0.304 nan 8.380 nan 0.000 0.505 37 F N 2.771 122.784 119.950 0.105 0.000 2.538 37 F HA 0.032 4.573 4.527 0.024 0.000 0.371 37 F C 0.808 176.820 175.800 0.352 0.000 1.087 37 F CA -0.097 57.990 58.000 0.146 0.000 1.250 37 F CB 0.443 39.471 39.000 0.048 0.000 1.110 37 F HN 0.635 nan 8.300 nan 0.000 0.570 38 W N 1.660 123.103 121.300 0.239 0.000 2.699 38 W HA 0.216 4.885 4.660 0.015 0.000 0.267 38 W C 0.366 176.994 176.519 0.182 0.000 1.182 38 W CA 0.134 57.673 57.345 0.323 0.000 1.453 38 W CB 0.210 29.818 29.460 0.246 0.000 1.054 38 W HN 0.057 nan 8.180 nan 0.000 0.595 39 K N 1.373 121.977 120.400 0.340 0.000 2.450 39 K HA 0.335 4.667 4.320 0.019 0.000 0.257 39 K C -0.360 176.285 176.600 0.075 0.000 0.953 39 K CA -0.188 56.146 56.287 0.078 0.000 0.844 39 K CB 1.964 34.480 32.500 0.026 0.000 1.103 39 K HN -0.275 nan 8.250 nan 0.000 0.429 40 S N 3.966 119.594 115.700 -0.120 0.000 2.576 40 S HA 0.230 4.711 4.470 0.019 0.000 0.276 40 S C -2.119 172.234 174.600 -0.411 0.000 1.339 40 S CA -1.039 56.937 58.200 -0.374 0.000 1.039 40 S CB 0.372 63.108 63.200 -0.773 0.000 0.902 40 S HN 0.411 nan 8.310 nan 0.000 0.516 47 S N -0.104 115.431 115.700 -0.275 0.000 3.003 47 S HA 0.550 5.031 4.470 0.019 0.000 0.313 47 S C 0.326 174.702 174.600 -0.374 0.000 1.230 47 S CA -0.259 57.602 58.200 -0.566 0.000 0.977 47 S CB -0.661 61.750 63.200 -1.316 0.000 1.340 47 S HN 0.498 nan 8.310 nan 0.000 0.608 48 F N 1.750 121.707 119.950 0.012 0.000 2.065 48 F HA -0.327 4.214 4.527 0.024 0.000 0.290 48 F C 1.826 177.630 175.800 0.007 0.000 1.079 48 F CA 2.127 60.133 58.000 0.009 0.000 1.261 48 F CB -1.203 37.802 39.000 0.007 0.000 0.968 48 F HN 0.379 nan 8.300 nan 0.000 0.496 49 N N 0.094 119.059 118.700 0.442 0.000 2.073 49 N HA -0.063 4.689 4.740 0.019 0.000 0.190 49 N C 0.685 176.266 175.510 0.118 0.000 1.075 49 N CA 0.196 53.399 53.050 0.255 0.000 0.866 49 N CB -0.039 38.612 38.487 0.274 0.000 1.051 49 N HN -0.026 nan 8.380 nan 0.000 0.437 50 R N 1.437 121.983 120.500 0.078 0.000 2.811 50 R HA 0.140 4.491 4.340 0.019 0.000 0.265 50 R C -2.157 174.165 176.300 0.036 0.000 1.026 50 R CA -0.912 55.213 56.100 0.041 0.000 1.142 50 R CB -0.127 30.182 30.300 0.014 0.000 1.027 50 R HN 0.321 nan 8.270 nan 0.000 0.465 51 P HA 0.148 nan 4.420 nan 0.000 0.288 51 P C -0.896 176.442 177.300 0.063 0.000 1.267 51 P CA -0.358 62.773 63.100 0.052 0.000 0.815 51 P CB 1.147 32.879 31.700 0.052 0.000 0.989 52 V N 3.676 123.645 119.914 0.091 0.000 2.498 52 V HA 0.172 4.304 4.120 0.019 0.000 0.279 52 V C 0.234 176.418 176.094 0.151 0.000 1.048 52 V CA 0.128 62.514 62.300 0.145 0.000 0.967 52 V CB 0.763 32.719 31.823 0.223 0.000 0.988 52 V HN 0.526 nan 8.190 nan 0.000 0.473 53 D N 3.047 123.554 120.400 0.178 0.000 2.192 53 D HA 0.598 5.249 4.640 0.019 0.000 0.246 53 D C -0.758 175.592 176.300 0.084 0.000 1.042 53 D CA -0.029 54.052 54.000 0.135 0.000 0.847 53 D CB 2.216 43.161 40.800 0.243 0.000 1.186 53 D HN 0.365 nan 8.370 nan 0.000 0.461 54 V N 3.384 123.212 119.914 -0.144 0.000 2.711 54 V HA 0.257 4.388 4.120 0.019 0.000 0.304 54 V C -1.347 174.462 176.094 -0.474 0.000 1.097 54 V CA -0.849 61.222 62.300 -0.382 0.000 0.906 54 V CB 1.948 33.297 31.823 -0.791 0.000 1.015 54 V HN 0.412 nan 8.190 nan 0.000 0.427 55 L N 7.438 128.340 121.223 -0.534 0.000 2.462 55 L HA 0.469 4.820 4.340 0.019 0.000 0.272 55 L C -0.662 175.987 176.870 -0.367 0.000 1.166 55 L CA 0.697 55.233 54.840 -0.507 0.000 0.880 55 L CB 1.362 43.203 42.059 -0.365 0.000 1.142 55 L HN 0.619 nan 8.230 nan 0.000 0.473 56 V N 7.538 127.267 119.914 -0.308 0.000 2.407 56 V HA 0.333 4.464 4.120 0.019 0.000 0.291 56 V C -2.157 173.855 176.094 -0.136 0.000 1.018 56 V CA -1.673 60.462 62.300 -0.275 0.000 0.842 56 V CB 1.771 33.441 31.823 -0.256 0.000 0.996 56 V HN 0.714 nan 8.190 nan 0.000 0.426 57 P HA 0.072 nan 4.420 nan 0.000 0.268 57 P C 1.087 178.379 177.300 -0.013 0.000 1.205 57 P CA 0.319 63.408 63.100 -0.019 0.000 0.771 57 P CB 0.877 32.566 31.700 -0.019 0.000 0.858 58 S N 2.894 118.606 115.700 0.020 0.000 2.372 58 S HA -0.180 4.302 4.470 0.019 0.000 0.227 58 S C 1.673 176.284 174.600 0.017 0.000 1.044 58 S CA 2.298 60.514 58.200 0.027 0.000 1.050 58 S CB -1.152 62.083 63.200 0.059 0.000 0.901 58 S HN 0.290 nan 8.310 nan 0.000 0.447 59 V N 0.831 120.753 119.914 0.014 0.000 2.660 59 V HA -0.042 4.090 4.120 0.019 0.000 0.257 59 V C 2.132 178.226 176.094 0.001 0.000 1.088 59 V CA 1.900 64.204 62.300 0.007 0.000 1.106 59 V CB -1.209 30.615 31.823 0.002 0.000 0.686 59 V HN 0.656 nan 8.190 nan 0.000 0.481 60 S N -1.279 114.417 115.700 -0.007 0.000 2.749 60 S HA 0.260 4.741 4.470 0.019 0.000 0.246 60 S C 1.244 175.853 174.600 0.015 0.000 1.023 60 S CA -0.358 57.836 58.200 -0.009 0.000 1.012 60 S CB 0.180 63.353 63.200 -0.045 0.000 0.942 60 S HN 0.255 nan 8.310 nan 0.000 0.531 61 L N 2.654 123.888 121.223 0.017 0.000 2.046 61 L HA -0.023 4.328 4.340 0.019 0.000 0.208 61 L C 2.963 179.861 176.870 0.047 0.000 1.077 61 L CA 2.074 56.932 54.840 0.031 0.000 0.747 61 L CB -1.116 40.953 42.059 0.017 0.000 0.896 61 L HN 0.581 nan 8.230 nan 0.000 0.432 62 Q N -0.311 119.512 119.800 0.038 0.000 2.016 62 Q HA -0.128 4.223 4.340 0.019 0.000 0.200 62 Q C 2.100 178.131 176.000 0.052 0.000 0.978 62 Q CA 2.110 57.935 55.803 0.036 0.000 0.833 62 Q CB -1.241 27.514 28.738 0.028 0.000 0.895 62 Q HN 0.343 nan 8.270 nan 0.000 0.427 63 A N 0.751 123.611 122.820 0.066 0.000 1.883 63 A HA -0.133 4.199 4.320 0.019 0.000 0.217 63 A C 2.120 179.795 177.584 0.152 0.000 1.186 63 A CA 1.490 53.578 52.037 0.086 0.000 0.624 63 A CB -1.224 17.811 19.000 0.059 0.000 0.822 63 A HN 0.436 nan 8.150 nan 0.000 0.444 64 F N 0.367 120.307 119.950 -0.017 0.000 2.134 64 F HA -0.175 4.364 4.527 0.020 0.000 0.299 64 F C 2.309 178.112 175.800 0.004 0.000 1.097 64 F CA 2.034 60.037 58.000 0.004 0.000 1.264 64 F CB -0.009 38.940 39.000 -0.086 0.000 1.001 64 F HN 0.122 nan 8.300 nan 0.000 0.479 65 K N -0.501 119.813 120.400 -0.144 0.000 2.025 65 K HA -0.169 4.162 4.320 0.019 0.000 0.207 65 K C 2.381 178.906 176.600 -0.125 0.000 1.049 65 K CA 1.337 57.436 56.287 -0.313 0.000 0.933 65 K CB -0.516 31.873 32.500 -0.186 0.000 0.714 65 K HN 0.192 nan 8.250 nan 0.000 0.438 66 S N 0.812 116.501 115.700 -0.018 0.000 2.374 66 S HA -0.210 4.272 4.470 0.019 0.000 0.227 66 S C 1.797 176.411 174.600 0.022 0.000 1.037 66 S CA 1.368 59.580 58.200 0.020 0.000 1.024 66 S CB -0.341 62.889 63.200 0.049 0.000 0.861 66 S HN 0.385 nan 8.310 nan 0.000 0.456 67 F N 1.274 121.159 119.950 -0.109 0.000 2.186 67 F HA 0.023 4.562 4.527 0.021 0.000 0.299 67 F C 1.680 177.384 175.800 -0.161 0.000 1.090 67 F CA 0.941 58.877 58.000 -0.107 0.000 1.307 67 F CB -0.311 38.648 39.000 -0.069 0.000 1.019 67 F HN 0.199 nan 8.300 nan 0.000 0.489 68 L N 1.048 121.994 121.223 -0.461 0.000 2.046 68 L HA -0.165 4.187 4.340 0.019 0.000 0.208 68 L C 2.535 179.234 176.870 -0.286 0.000 1.077 68 L CA 1.637 56.177 54.840 -0.500 0.000 0.747 68 L CB -1.381 40.413 42.059 -0.442 0.000 0.896 68 L HN 0.126 nan 8.230 nan 0.000 0.432 69 R N -0.769 119.645 120.500 -0.143 0.000 2.083 69 R HA -0.152 4.199 4.340 0.019 0.000 0.237 69 R C 2.384 178.607 176.300 -0.129 0.000 1.137 69 R CA 1.680 57.732 56.100 -0.079 0.000 0.951 69 R CB -0.504 29.784 30.300 -0.021 0.000 0.851 69 R HN 0.522 nan 8.270 nan 0.000 0.434 70 S N 0.047 115.649 115.700 -0.164 0.000 2.481 70 S HA -0.046 4.435 4.470 0.019 0.000 0.231 70 S C 1.432 175.909 174.600 -0.206 0.000 0.996 70 S CA 0.614 58.729 58.200 -0.141 0.000 0.942 70 S CB 0.271 63.427 63.200 -0.075 0.000 0.768 70 S HN 0.213 nan 8.310 nan 0.000 0.520 71 Q N 0.491 120.076 119.800 -0.358 0.000 2.198 71 Q HA 0.277 4.629 4.340 0.019 0.000 0.209 71 Q C 0.987 176.854 176.000 -0.222 0.000 0.848 71 Q CA 0.410 56.004 55.803 -0.347 0.000 0.974 71 Q CB 0.472 28.827 28.738 -0.638 0.000 1.115 71 Q HN 0.745 nan 8.270 nan 0.000 0.494 72 G N 1.765 110.462 108.800 -0.171 0.000 2.305 72 G HA2 -0.272 3.700 3.960 0.019 0.000 0.287 72 G HA3 -0.272 3.700 3.960 0.019 0.000 0.287 72 G C -0.121 174.717 174.900 -0.103 0.000 1.036 72 G CA 0.215 45.248 45.100 -0.112 0.000 0.887 72 G HN 0.290 nan 8.290 nan 0.000 0.505 73 L N -0.213 120.932 121.223 -0.130 0.000 2.282 73 L HA 0.519 4.870 4.340 0.019 0.000 0.288 73 L C 0.504 177.364 176.870 -0.015 0.000 1.033 73 L CA -0.660 54.132 54.840 -0.081 0.000 0.807 73 L CB 1.474 43.457 42.059 -0.126 0.000 1.209 73 L HN 0.209 nan 8.230 nan 0.000 0.423 74 E N 2.620 122.814 120.200 -0.009 0.000 2.216 74 E HA 0.432 4.793 4.350 0.019 0.000 0.279 74 E C -1.589 175.029 176.600 0.030 0.000 0.997 74 E CA -0.473 55.899 56.400 -0.046 0.000 0.817 74 E CB 1.658 31.310 29.700 -0.081 0.000 1.096 74 E HN 0.390 nan 8.360 nan 0.000 0.393 75 Y N -0.102 120.158 120.300 -0.067 0.000 2.534 75 Y HA 0.778 5.340 4.550 0.020 0.000 0.345 75 Y C -1.149 174.724 175.900 -0.044 0.000 1.031 75 Y CA -1.377 56.691 58.100 -0.052 0.000 1.022 75 Y CB 0.981 39.401 38.460 -0.066 0.000 1.292 75 Y HN 0.445 nan 8.280 nan 0.000 0.459 76 A N 1.920 124.785 122.820 0.075 0.000 2.337 76 A HA 0.745 5.077 4.320 0.019 0.000 0.331 76 A C -1.272 176.393 177.584 0.135 0.000 1.137 76 A CA -0.969 51.089 52.037 0.035 0.000 0.807 76 A CB 1.283 20.275 19.000 -0.013 0.000 1.250 76 A HN 0.746 nan 8.150 nan 0.000 0.468 77 V N 2.598 122.571 119.914 0.099 0.000 2.353 77 V HA 0.191 4.323 4.120 0.019 0.000 0.264 77 V C 1.509 177.589 176.094 -0.022 0.000 1.049 77 V CA 0.667 62.997 62.300 0.051 0.000 0.896 77 V CB 0.053 31.907 31.823 0.053 0.000 1.025 77 V HN 1.141 nan 8.190 nan 0.000 0.475 78 T N 2.218 116.735 114.554 -0.061 0.000 3.009 78 T HA 0.271 4.632 4.350 0.019 0.000 0.258 78 T C 0.502 175.121 174.700 -0.136 0.000 1.063 78 T CA 0.606 62.647 62.100 -0.097 0.000 1.139 78 T CB 0.093 68.901 68.868 -0.100 0.000 0.890 78 T HN 0.357 nan 8.240 nan 0.000 0.471 79 I N 1.247 121.722 120.570 -0.159 0.000 2.410 79 I HA 0.412 4.593 4.170 0.019 0.000 0.286 79 I C 0.749 176.800 176.117 -0.110 0.000 1.009 79 I CA -0.672 60.538 61.300 -0.150 0.000 1.111 79 I CB 2.431 40.313 38.000 -0.196 0.000 1.262 79 I HN -0.050 nan 8.210 nan 0.000 0.443 80 E N 2.280 122.441 120.200 -0.065 0.000 2.112 80 E HA -0.089 4.272 4.350 0.019 0.000 0.190 80 E C -0.080 176.511 176.600 -0.015 0.000 0.979 80 E CA 1.067 57.448 56.400 -0.032 0.000 0.814 80 E CB 0.367 30.058 29.700 -0.015 0.000 0.762 80 E HN 0.455 nan 8.360 nan 0.000 0.460 81 D N -0.603 119.793 120.400 -0.008 0.000 2.479 81 D HA 0.047 4.699 4.640 0.019 0.000 0.246 81 D C 0.498 176.803 176.300 0.008 0.000 1.336 81 D CA -0.262 53.751 54.000 0.021 0.000 0.967 81 D CB 1.033 41.871 40.800 0.063 0.000 1.275 81 D HN -0.012 nan 8.370 nan 0.000 0.577 82 L N 2.731 123.945 121.223 -0.015 0.000 2.012 82 L HA -0.182 4.170 4.340 0.019 0.000 0.210 82 L C 1.850 178.716 176.870 -0.006 0.000 1.073 82 L CA 1.772 56.590 54.840 -0.038 0.000 0.748 82 L CB -0.148 41.858 42.059 -0.089 0.000 0.891 82 L HN 0.504 nan 8.230 nan 0.000 0.431 83 Q N -0.054 119.757 119.800 0.018 0.000 2.181 83 Q HA -0.177 4.174 4.340 0.019 0.000 0.205 83 Q C 2.061 178.066 176.000 0.008 0.000 0.980 83 Q CA 2.105 57.883 55.803 -0.041 0.000 0.862 83 Q CB -0.306 28.267 28.738 -0.274 0.000 0.905 83 Q HN 0.540 nan 8.270 nan 0.000 0.429 84 A N 0.065 122.918 122.820 0.055 0.000 1.883 84 A HA -0.168 4.164 4.320 0.019 0.000 0.217 84 A C 2.123 179.738 177.584 0.052 0.000 1.186 84 A CA 1.498 53.575 52.037 0.067 0.000 0.624 84 A CB -0.845 18.198 19.000 0.072 0.000 0.822 84 A HN 0.456 nan 8.150 nan 0.000 0.444 85 L N -0.941 120.310 121.223 0.047 0.000 2.046 85 L HA -0.169 4.182 4.340 0.019 0.000 0.208 85 L C 2.544 179.419 176.870 0.008 0.000 1.077 85 L CA 0.793 55.664 54.840 0.051 0.000 0.747 85 L CB -0.502 41.605 42.059 0.079 0.000 0.896 85 L HN 0.318 nan 8.230 nan 0.000 0.432 86 L N -0.053 121.160 121.223 -0.016 0.000 2.046 86 L HA -0.234 4.118 4.340 0.019 0.000 0.208 86 L C 2.228 179.094 176.870 -0.006 0.000 1.077 86 L CA 1.789 56.605 54.840 -0.040 0.000 0.747 86 L CB -1.194 40.847 42.059 -0.030 0.000 0.896 86 L HN 0.258 nan 8.230 nan 0.000 0.432 87 D N -0.521 119.888 120.400 0.015 0.000 2.092 87 D HA -0.186 4.465 4.640 0.019 0.000 0.193 87 D C 1.933 178.257 176.300 0.041 0.000 0.994 87 D CA 1.311 55.333 54.000 0.037 0.000 0.828 87 D CB -0.273 40.562 40.800 0.059 0.000 0.963 87 D HN 0.447 nan 8.370 nan 0.000 0.450 88 N N 0.416 119.139 118.700 0.038 0.000 2.061 88 N HA -0.216 4.536 4.740 0.019 0.000 0.193 88 N C 1.769 177.304 175.510 0.042 0.000 1.030 88 N CA 1.054 54.126 53.050 0.037 0.000 0.856 88 N CB -0.085 38.420 38.487 0.031 0.000 1.023 88 N HN 0.300 nan 8.380 nan 0.000 0.424 89 E N 1.011 121.234 120.200 0.038 0.000 2.051 89 E HA -0.221 4.141 4.350 0.019 0.000 0.192 89 E C 1.350 178.011 176.600 0.101 0.000 0.991 89 E CA 1.179 57.621 56.400 0.070 0.000 0.799 89 E CB 0.108 29.809 29.700 0.002 0.000 0.748 89 E HN 0.228 nan 8.360 nan 0.000 0.449 90 D N 0.634 121.078 120.400 0.074 0.000 2.106 90 D HA -0.184 4.468 4.640 0.019 0.000 0.191 90 D C 1.615 177.961 176.300 0.076 0.000 0.997 90 D CA 1.577 55.623 54.000 0.078 0.000 0.834 90 D CB -0.272 40.562 40.800 0.056 0.000 0.956 90 D HN 0.271 nan 8.370 nan 0.000 0.448 91 D N 0.682 121.123 120.400 0.068 0.000 2.104 91 D HA -0.147 4.504 4.640 0.019 0.000 0.194 91 D C 2.014 178.368 176.300 0.089 0.000 0.994 91 D CA 0.848 54.893 54.000 0.076 0.000 0.830 91 D CB -0.573 40.267 40.800 0.067 0.000 0.959 91 D HN 0.299 nan 8.370 nan 0.000 0.452 92 E N -0.086 120.154 120.200 0.067 0.000 2.097 92 E HA -0.140 4.221 4.350 0.019 0.000 0.196 92 E C 2.215 178.852 176.600 0.062 0.000 1.000 92 E CA 0.944 57.372 56.400 0.047 0.000 0.804 92 E CB -0.045 29.680 29.700 0.041 0.000 0.740 92 E HN 0.232 nan 8.360 nan 0.000 0.454 93 M N -0.239 119.411 119.600 0.084 0.000 2.064 93 M HA -0.226 4.266 4.480 0.019 0.000 0.260 93 M C 2.511 178.834 176.300 0.038 0.000 1.073 93 M CA 1.533 56.867 55.300 0.057 0.000 1.124 93 M CB -0.320 32.342 32.600 0.103 0.000 1.326 93 M HN 0.107 nan 8.290 nan 0.000 0.410 94 Q N -0.529 119.306 119.800 0.057 0.000 2.082 94 Q HA -0.308 4.044 4.340 0.019 0.000 0.211 94 Q C 1.835 177.866 176.000 0.051 0.000 1.002 94 Q CA 2.491 58.321 55.803 0.044 0.000 0.868 94 Q CB -0.261 28.506 28.738 0.049 0.000 0.931 94 Q HN 0.564 nan 8.270 nan 0.000 0.414 95 H N -0.810 118.254 119.070 -0.011 0.000 2.270 95 H HA -0.133 4.434 4.556 0.019 0.000 0.299 95 H C 1.973 177.283 175.328 -0.031 0.000 1.077 95 H CA 1.816 57.855 56.048 -0.015 0.000 1.294 95 H CB -0.134 29.621 29.762 -0.011 0.000 1.371 95 H HN 0.337 nan 8.280 nan 0.000 0.491 96 N N 0.305 119.104 118.700 0.164 0.000 2.094 96 N HA -0.196 4.555 4.740 0.019 0.000 0.191 96 N C 1.686 177.191 175.510 -0.009 0.000 1.023 96 N CA 1.932 55.011 53.050 0.048 0.000 0.857 96 N CB -0.089 38.352 38.487 -0.077 0.000 1.013 96 N HN 0.518 nan 8.380 nan 0.000 0.426 97 E N -1.243 118.944 120.200 -0.022 0.000 2.153 97 E HA -0.072 4.289 4.350 0.019 0.000 0.194 97 E C 1.915 178.501 176.600 -0.022 0.000 0.988 97 E CA 0.920 57.307 56.400 -0.021 0.000 0.811 97 E CB -0.281 29.410 29.700 -0.015 0.000 0.746 97 E HN 0.556 nan 8.360 nan 0.000 0.466 98 G N 0.768 109.542 108.800 -0.043 0.000 2.394 98 G HA2 -0.199 3.773 3.960 0.019 0.000 0.215 98 G HA3 -0.199 3.773 3.960 0.019 0.000 0.215 98 G C 0.822 175.691 174.900 -0.052 0.000 1.165 98 G CA 0.090 45.148 45.100 -0.071 0.000 0.784 98 G HN 0.168 nan 8.290 nan 0.000 0.535 1002 R N 1.297 121.801 120.500 0.007 0.000 2.117 1002 R HA -0.111 4.240 4.340 0.019 0.000 0.243 1002 R C 2.301 178.603 176.300 0.002 0.000 1.143 1002 R CA 2.067 58.169 56.100 0.002 0.000 0.968 1002 R CB -0.080 30.214 30.300 -0.009 0.000 0.863 1002 R HN 0.104 nan 8.270 nan 0.000 0.444 1003 S N -1.340 114.359 115.700 -0.000 0.000 2.458 1003 S HA 0.039 4.520 4.470 0.019 0.000 0.223 1003 S C 1.816 176.423 174.600 0.012 0.000 1.019 1003 S CA 0.920 59.121 58.200 0.001 0.000 0.937 1003 S CB 0.200 63.396 63.200 -0.006 0.000 0.788 1003 S HN 0.251 nan 8.310 nan 0.000 0.511 1004 S N 1.453 117.164 115.700 0.018 0.000 2.395 1004 S HA 0.119 4.601 4.470 0.019 0.000 0.225 1004 S C 0.982 175.603 174.600 0.035 0.000 1.027 1004 S CA 0.684 58.900 58.200 0.028 0.000 0.965 1004 S CB -0.431 62.789 63.200 0.033 0.000 0.812 1004 S HN 0.690 nan 8.310 nan 0.000 0.482 1005 N N 0.518 119.242 118.700 0.040 0.000 2.965 1005 N HA -0.132 4.619 4.740 0.019 0.000 0.232 1005 N C -0.629 174.927 175.510 0.077 0.000 0.913 1005 N CA 0.429 53.512 53.050 0.055 0.000 0.981 1005 N CB -1.436 37.078 38.487 0.045 0.000 1.077 1005 N HN 0.353 nan 8.380 nan 0.000 0.589 1006 N N -0.158 118.586 118.700 0.073 0.000 2.445 1006 N HA 0.266 5.017 4.740 0.019 0.000 0.264 1006 N C -0.658 174.928 175.510 0.126 0.000 1.227 1006 N CA 0.071 53.177 53.050 0.093 0.000 0.963 1006 N CB 0.379 38.909 38.487 0.072 0.000 1.188 1006 N HN 0.101 nan 8.380 nan 0.000 0.491 1007 F N 1.666 121.580 119.950 -0.060 0.000 2.403 1007 F HA 0.255 4.793 4.527 0.019 0.000 0.355 1007 F C -0.044 175.642 175.800 -0.191 0.000 1.119 1007 F CA -1.015 56.880 58.000 -0.176 0.000 1.007 1007 F CB 0.546 39.320 39.000 -0.377 0.000 1.194 1007 F HN 0.276 nan 8.300 nan 0.000 0.443 1008 N N 5.417 123.939 118.700 -0.297 0.000 2.415 1008 N HA 0.007 4.758 4.740 0.019 0.000 0.250 1008 N C 0.355 175.745 175.510 -0.200 0.000 1.127 1008 N CA 0.208 53.172 53.050 -0.143 0.000 0.945 1008 N CB 0.142 38.566 38.487 -0.106 0.000 1.196 1008 N HN 0.673 nan 8.380 nan 0.000 0.499 1009 Y N 1.356 121.771 120.300 0.191 0.000 2.483 1009 Y HA 0.025 4.586 4.550 0.019 0.000 0.291 1009 Y C 2.085 178.088 175.900 0.172 0.000 1.143 1009 Y CA 0.801 59.099 58.100 0.332 0.000 1.289 1009 Y CB 0.199 38.940 38.460 0.469 0.000 0.983 1009 Y HN 0.635 nan 8.280 nan 0.000 0.556 1010 G N -0.299 108.597 108.800 0.160 0.000 3.474 1010 G HA2 0.486 4.457 3.960 0.019 0.000 0.269 1010 G HA3 0.486 4.457 3.960 0.019 0.000 0.269 1010 G C -0.176 174.645 174.900 -0.131 0.000 1.339 1010 G CA 0.503 45.608 45.100 0.007 0.000 1.258 1010 G HN 0.313 nan 8.290 nan 0.000 0.560 1011 A N -0.431 122.274 122.820 -0.191 0.000 2.602 1011 A HA 0.747 5.079 4.320 0.019 0.000 0.290 1011 A C -1.803 175.530 177.584 -0.419 0.000 1.114 1011 A CA -0.782 51.042 52.037 -0.355 0.000 0.683 1011 A CB 1.158 19.904 19.000 -0.424 0.000 1.281 1011 A HN 0.102 nan 8.150 nan 0.000 0.416 1012 Y N 0.303 120.474 120.300 -0.216 0.000 2.334 1012 Y HA 0.620 5.182 4.550 0.020 0.000 0.328 1012 Y C 0.362 176.036 175.900 -0.377 0.000 1.130 1012 Y CA 0.313 58.350 58.100 -0.105 0.000 1.163 1012 Y CB 1.401 39.929 38.460 0.113 0.000 1.207 1012 Y HN 0.735 nan 8.280 nan 0.000 0.471 1013 H N -1.514 117.641 119.070 0.143 0.000 2.821 1013 H HA 0.439 5.006 4.556 0.019 0.000 0.373 1013 H C -0.481 174.867 175.328 0.034 0.000 1.165 1013 H CA -1.151 54.933 56.048 0.059 0.000 1.154 1013 H CB 1.372 31.199 29.762 0.108 0.000 1.765 1013 H HN 0.599 nan 8.280 nan 0.000 0.549 1014 S N 1.080 116.846 115.700 0.111 0.000 2.566 1014 S HA -0.074 4.407 4.470 0.019 0.000 0.280 1014 S C 1.401 176.079 174.600 0.129 0.000 1.343 1014 S CA -0.540 57.680 58.200 0.035 0.000 1.036 1014 S CB 0.567 63.774 63.200 0.012 0.000 0.866 1014 S HN 0.623 nan 8.310 nan 0.000 0.526 1015 L N 1.283 122.553 121.223 0.078 0.000 2.081 1015 L HA -0.127 4.224 4.340 0.019 0.000 0.212 1015 L C 2.565 179.296 176.870 -0.233 0.000 1.080 1015 L CA 2.351 57.126 54.840 -0.108 0.000 0.754 1015 L CB -0.974 40.983 42.059 -0.169 0.000 0.893 1015 L HN 1.011 nan 8.230 nan 0.000 0.433 1016 E N -1.007 119.163 120.200 -0.050 0.000 2.106 1016 E HA -0.211 4.150 4.350 0.019 0.000 0.192 1016 E C 2.052 178.731 176.600 0.133 0.000 0.984 1016 E CA 1.001 57.437 56.400 0.059 0.000 0.806 1016 E CB -0.095 29.638 29.700 0.056 0.000 0.750 1016 E HN 0.629 nan 8.360 nan 0.000 0.458 1017 A N 0.810 123.714 122.820 0.140 0.000 1.929 1017 A HA -0.078 4.254 4.320 0.019 0.000 0.216 1017 A C 2.082 179.785 177.584 0.199 0.000 1.176 1017 A CA 0.792 52.960 52.037 0.217 0.000 0.628 1017 A CB -0.425 18.741 19.000 0.278 0.000 0.816 1017 A HN 0.262 nan 8.150 nan 0.000 0.444 1018 I N -1.595 119.066 120.570 0.151 0.000 2.113 1018 I HA -0.315 3.866 4.170 0.019 0.000 0.238 1018 I C 2.448 178.667 176.117 0.169 0.000 1.070 1018 I CA 1.666 63.025 61.300 0.097 0.000 1.332 1018 I CB -0.651 37.392 38.000 0.071 0.000 1.044 1018 I HN 0.425 nan 8.210 nan 0.000 0.402 1019 Y N -0.308 120.044 120.300 0.088 0.000 2.165 1019 Y HA -0.372 4.189 4.550 0.018 0.000 0.286 1019 Y C 2.881 178.767 175.900 -0.023 0.000 1.155 1019 Y CA 1.354 59.498 58.100 0.072 0.000 1.164 1019 Y CB -0.394 38.188 38.460 0.204 0.000 0.978 1019 Y HN 0.291 nan 8.280 nan 0.000 0.513 1020 H N 0.126 119.261 119.070 0.109 0.000 2.357 1020 H HA -0.155 4.412 4.556 0.019 0.000 0.301 1020 H C 2.005 177.275 175.328 -0.097 0.000 1.082 1020 H CA 1.873 57.921 56.048 0.001 0.000 1.342 1020 H CB 0.022 29.802 29.762 0.030 0.000 1.389 1020 H HN 0.169 nan 8.280 nan 0.000 0.511 1021 E N -0.081 120.007 120.200 -0.185 0.000 2.152 1021 E HA -0.102 4.259 4.350 0.019 0.000 0.192 1021 E C 2.164 178.570 176.600 -0.324 0.000 0.983 1021 E CA 1.056 57.196 56.400 -0.434 0.000 0.818 1021 E CB -0.192 28.890 29.700 -1.029 0.000 0.758 1021 E HN 0.551 nan 8.360 nan 0.000 0.467 1022 M N 0.193 119.661 119.600 -0.221 0.000 2.132 1022 M HA -0.135 4.357 4.480 0.019 0.000 0.263 1022 M C 1.992 178.147 176.300 -0.243 0.000 1.065 1022 M CA 1.637 56.823 55.300 -0.190 0.000 1.122 1022 M CB -0.168 32.349 32.600 -0.138 0.000 1.365 1022 M HN 0.117 nan 8.290 nan 0.000 0.411 1023 D N 0.130 120.358 120.400 -0.286 0.000 2.144 1023 D HA -0.151 4.501 4.640 0.019 0.000 0.200 1023 D C 1.386 177.515 176.300 -0.284 0.000 0.978 1023 D CA 1.123 54.941 54.000 -0.303 0.000 0.833 1023 D CB -0.032 40.584 40.800 -0.308 0.000 0.961 1023 D HN 0.305 nan 8.370 nan 0.000 0.470 1024 N N 0.480 118.978 118.700 -0.337 0.000 2.216 1024 N HA -0.062 4.690 4.740 0.019 0.000 0.183 1024 N C 2.038 177.465 175.510 -0.138 0.000 1.017 1024 N CA 0.316 53.211 53.050 -0.259 0.000 0.861 1024 N CB -0.280 38.039 38.487 -0.280 0.000 0.986 1024 N HN 0.324 nan 8.380 nan 0.000 0.428 1025 I N 0.848 121.353 120.570 -0.109 0.000 2.286 1025 I HA -0.235 3.946 4.170 0.019 0.000 0.248 1025 I C 2.133 178.287 176.117 0.062 0.000 1.115 1025 I CA 1.033 62.347 61.300 0.023 0.000 1.392 1025 I CB -0.114 37.881 38.000 -0.007 0.000 1.065 1025 I HN 0.083 nan 8.210 nan 0.000 0.418 1026 A N 0.240 123.016 122.820 -0.073 0.000 1.929 1026 A HA -0.029 4.303 4.320 0.019 0.000 0.216 1026 A C 2.502 180.041 177.584 -0.075 0.000 1.176 1026 A CA 1.414 53.395 52.037 -0.094 0.000 0.628 1026 A CB -0.762 18.131 19.000 -0.177 0.000 0.816 1026 A HN 0.392 nan 8.150 nan 0.000 0.444 1027 A N 0.069 122.824 122.820 -0.108 0.000 1.902 1027 A HA -0.160 4.171 4.320 0.019 0.000 0.217 1027 A C 1.738 179.237 177.584 -0.140 0.000 1.181 1027 A CA 1.882 53.848 52.037 -0.117 0.000 0.623 1027 A CB -0.488 18.433 19.000 -0.132 0.000 0.818 1027 A HN 0.423 nan 8.150 nan 0.000 0.443 1028 D N -1.333 118.965 120.400 -0.170 0.000 2.183 1028 D HA 0.017 4.669 4.640 0.019 0.000 0.203 1028 D C -0.297 175.611 176.300 -0.653 0.000 0.969 1028 D CA 0.940 54.701 54.000 -0.398 0.000 0.842 1028 D CB -0.084 40.465 40.800 -0.418 0.000 0.957 1028 D HN 0.448 nan 8.370 nan 0.000 0.484 1029 F N 0.349 120.264 119.950 -0.058 0.000 2.531 1029 F HA 0.259 4.797 4.527 0.019 0.000 0.333 1029 F C -1.633 174.129 175.800 -0.064 0.000 1.292 1029 F CA -1.708 56.266 58.000 -0.043 0.000 1.184 1029 F CB 1.781 40.766 39.000 -0.025 0.000 1.426 1029 F HN -0.167 nan 8.300 nan 0.000 0.559 1030 P HA -0.136 nan 4.420 nan 0.000 0.221 1030 P C 0.735 178.031 177.300 -0.006 0.000 1.150 1030 P CA 1.335 64.428 63.100 -0.012 0.000 0.800 1030 P CB 0.487 32.165 31.700 -0.036 0.000 0.787 1031 D N -1.102 119.314 120.400 0.026 0.000 2.340 1031 D HA 0.055 4.706 4.640 0.019 0.000 0.220 1031 D C 1.330 177.618 176.300 -0.020 0.000 1.039 1031 D CA 0.266 54.273 54.000 0.012 0.000 0.866 1031 D CB 0.454 41.278 40.800 0.040 0.000 0.913 1031 D HN 0.138 nan 8.370 nan 0.000 0.523 1032 L N -0.715 120.494 121.223 -0.023 0.000 2.815 1032 L HA 0.357 4.709 4.340 0.019 0.000 0.241 1032 L C -0.267 176.538 176.870 -0.108 0.000 1.047 1032 L CA 0.318 55.104 54.840 -0.091 0.000 0.939 1032 L CB 0.675 42.668 42.059 -0.110 0.000 1.490 1032 L HN -0.201 nan 8.230 nan 0.000 0.510 1033 A N 0.619 123.366 122.820 -0.121 0.000 2.371 1033 A HA 0.832 5.164 4.320 0.019 0.000 0.311 1033 A C -0.875 176.540 177.584 -0.281 0.000 1.068 1033 A CA -0.574 51.262 52.037 -0.335 0.000 0.744 1033 A CB 1.035 19.871 19.000 -0.274 0.000 1.239 1033 A HN 0.262 nan 8.150 nan 0.000 0.435 1034 R N 1.466 121.746 120.500 -0.366 0.000 2.698 1034 R HA 0.653 5.005 4.340 0.019 0.000 0.275 1034 R C -1.043 175.079 176.300 -0.297 0.000 1.001 1034 R CA -0.857 55.086 56.100 -0.262 0.000 0.896 1034 R CB 1.649 31.851 30.300 -0.163 0.000 1.218 1034 R HN 0.618 nan 8.270 nan 0.000 0.462 1035 R N 2.208 122.554 120.500 -0.256 0.000 2.210 1035 R HA 0.304 4.656 4.340 0.019 0.000 0.338 1035 R C -0.930 175.277 176.300 -0.155 0.000 1.062 1035 R CA -0.364 55.578 56.100 -0.264 0.000 0.902 1035 R CB 1.165 31.240 30.300 -0.375 0.000 1.050 1035 R HN 0.454 nan 8.270 nan 0.000 0.461 1036 V N 5.078 124.947 119.914 -0.074 0.000 2.435 1036 V HA 0.235 4.367 4.120 0.019 0.000 0.290 1036 V C 0.088 176.236 176.094 0.089 0.000 1.030 1036 V CA -0.742 61.578 62.300 0.033 0.000 0.881 1036 V CB 1.614 33.500 31.823 0.104 0.000 0.983 1036 V HN 0.622 nan 8.190 nan 0.000 0.445 1037 K N 4.601 125.074 120.400 0.121 0.000 2.276 1037 K HA 0.371 4.702 4.320 0.019 0.000 0.285 1037 K C 0.666 177.270 176.600 0.006 0.000 1.062 1037 K CA -0.324 56.004 56.287 0.068 0.000 0.918 1037 K CB 0.926 33.455 32.500 0.049 0.000 1.055 1037 K HN 0.798 nan 8.250 nan 0.000 0.477 1038 I N 0.381 120.923 120.570 -0.047 0.000 3.941 1038 I HA 0.367 4.548 4.170 0.019 0.000 0.321 1038 I C 0.610 176.716 176.117 -0.019 0.000 1.284 1038 I CA -0.264 61.050 61.300 0.025 0.000 1.226 1038 I CB 0.699 38.687 38.000 -0.020 0.000 1.045 1038 I HN 0.654 nan 8.210 nan 0.000 0.420 1039 G N -0.192 108.507 108.800 -0.167 0.000 2.335 1039 G HA2 0.397 4.368 3.960 0.019 0.000 0.291 1039 G HA3 0.397 4.368 3.960 0.019 0.000 0.291 1039 G C -1.920 172.734 174.900 -0.410 0.000 1.261 1039 G CA -0.774 44.210 45.100 -0.194 0.000 0.871 1039 G HN 0.318 nan 8.290 nan 0.000 0.491 1040 H N -0.578 118.469 119.070 -0.039 0.000 2.690 1040 H HA 0.677 5.244 4.556 0.018 0.000 0.368 1040 H C 0.628 175.948 175.328 -0.014 0.000 1.150 1040 H CA 0.031 56.052 56.048 -0.045 0.000 1.174 1040 H CB 2.065 31.797 29.762 -0.050 0.000 1.684 1040 H HN 0.710 nan 8.280 nan 0.000 0.538 1041 S N 1.522 117.316 115.700 0.157 0.000 2.641 1041 S HA -0.007 4.474 4.470 0.019 0.000 0.261 1041 S C 1.171 175.860 174.600 0.148 0.000 1.257 1041 S CA -0.438 57.850 58.200 0.146 0.000 0.983 1041 S CB 0.453 63.748 63.200 0.157 0.000 0.990 1041 S HN 0.637 nan 8.310 nan 0.000 0.572 1042 F N 0.977 120.955 119.950 0.048 0.000 2.171 1042 F HA 0.057 4.600 4.527 0.025 0.000 0.300 1042 F C 2.165 177.978 175.800 0.023 0.000 1.090 1042 F CA 1.793 59.811 58.000 0.030 0.000 1.293 1042 F CB -0.222 38.794 39.000 0.027 0.000 1.013 1042 F HN 0.760 nan 8.300 nan 0.000 0.486 1043 E N 0.101 120.379 120.200 0.130 0.000 2.476 1043 E HA -0.021 4.341 4.350 0.019 0.000 0.191 1043 E C -0.137 176.447 176.600 -0.026 0.000 1.064 1043 E CA 0.245 56.672 56.400 0.045 0.000 0.866 1043 E CB -0.045 29.742 29.700 0.145 0.000 0.952 1043 E HN 0.388 nan 8.360 nan 0.000 0.492 1044 N N 1.014 119.692 118.700 -0.036 0.000 2.926 1044 N HA -0.141 4.611 4.740 0.019 0.000 0.249 1044 N C -0.667 174.865 175.510 0.036 0.000 1.100 1044 N CA 0.555 53.557 53.050 -0.080 0.000 0.777 1044 N CB -0.998 37.374 38.487 -0.191 0.000 1.112 1044 N HN 0.201 nan 8.380 nan 0.000 0.552 1045 R N 0.909 121.487 120.500 0.130 0.000 2.560 1045 R HA 0.366 4.718 4.340 0.019 0.000 0.270 1045 R C -2.067 174.345 176.300 0.186 0.000 1.074 1045 R CA -1.207 54.998 56.100 0.174 0.000 1.140 1045 R CB 0.289 30.700 30.300 0.185 0.000 1.073 1045 R HN -0.040 nan 8.270 nan 0.000 0.527 1046 P HA 0.000 nan 4.420 nan 0.000 0.269 1046 P C -0.613 176.363 177.300 -0.540 0.000 1.209 1046 P CA 0.380 63.179 63.100 -0.502 0.000 0.776 1046 P CB 0.595 31.540 31.700 -1.258 0.000 0.876 1047 M N 3.032 122.332 119.600 -0.499 0.000 2.061 1047 M HA 0.279 4.771 4.480 0.019 0.000 0.346 1047 M C -0.495 175.574 176.300 -0.385 0.000 1.112 1047 M CA -0.216 54.913 55.300 -0.284 0.000 1.021 1047 M CB -0.107 32.422 32.600 -0.117 0.000 1.530 1047 M HN 0.370 nan 8.290 nan 0.000 0.437 1048 Y N 1.760 121.927 120.300 -0.222 0.000 2.341 1048 Y HA 0.572 5.134 4.550 0.020 0.000 0.337 1048 Y C 0.158 175.956 175.900 -0.171 0.000 1.014 1048 Y CA -0.925 57.000 58.100 -0.291 0.000 1.111 1048 Y CB 1.956 40.079 38.460 -0.563 0.000 1.194 1048 Y HN 0.340 nan 8.280 nan 0.000 0.462 1049 V N 5.192 125.112 119.914 0.011 0.000 2.815 1049 V HA 0.416 4.547 4.120 0.019 0.000 0.314 1049 V C -0.566 175.429 176.094 -0.166 0.000 1.064 1049 V CA -0.989 61.247 62.300 -0.107 0.000 0.952 1049 V CB 2.317 34.049 31.823 -0.151 0.000 1.020 1049 V HN 0.590 nan 8.190 nan 0.000 0.439 1050 L N 4.131 125.202 121.223 -0.254 0.000 2.295 1050 L HA 0.544 4.896 4.340 0.019 0.000 0.285 1050 L C -0.012 176.490 176.870 -0.614 0.000 1.035 1050 L CA -0.242 54.311 54.840 -0.477 0.000 0.806 1050 L CB 1.360 43.054 42.059 -0.609 0.000 1.214 1050 L HN 0.536 nan 8.230 nan 0.000 0.426 1051 K N 3.698 123.674 120.400 -0.707 0.000 2.213 1051 K HA 0.491 4.823 4.320 0.019 0.000 0.270 1051 K C -1.562 174.523 176.600 -0.859 0.000 1.002 1051 K CA -0.388 55.406 56.287 -0.822 0.000 0.868 1051 K CB 0.840 32.975 32.500 -0.607 0.000 1.093 1051 K HN 0.282 nan 8.250 nan 0.000 0.454 1052 F N 1.971 121.647 119.950 -0.457 0.000 2.467 1052 F HA 0.420 4.958 4.527 0.019 0.000 0.336 1052 F C 0.141 175.749 175.800 -0.319 0.000 1.123 1052 F CA -0.571 57.225 58.000 -0.340 0.000 0.964 1052 F CB 2.295 41.120 39.000 -0.292 0.000 1.136 1052 F HN 0.451 nan 8.300 nan 0.000 0.447 1053 S N 0.952 116.579 115.700 -0.121 0.000 2.556 1053 S HA 0.414 4.895 4.470 0.019 0.000 0.280 1053 S C -0.750 173.767 174.600 -0.139 0.000 1.141 1053 S CA -0.726 57.398 58.200 -0.127 0.000 0.883 1053 S CB 1.229 64.359 63.200 -0.118 0.000 1.103 1053 S HN 0.717 nan 8.310 nan 0.000 0.453 1054 T N 1.737 116.227 114.554 -0.106 0.000 3.400 1054 T HA 0.583 4.945 4.350 0.019 0.000 0.362 1054 T C -0.221 174.468 174.700 -0.019 0.000 1.823 1054 T CA -0.564 61.493 62.100 -0.071 0.000 1.374 1054 T CB -0.277 68.574 68.868 -0.028 0.000 1.130 1054 T HN 0.601 nan 8.240 nan 0.000 0.744 1055 K N 0.564 120.960 120.400 -0.006 0.000 3.223 1055 K HA 0.273 4.604 4.320 0.019 0.000 0.136 1055 K C 0.880 177.483 176.600 0.004 0.000 0.971 1055 K CA -0.014 56.272 56.287 -0.002 0.000 1.041 1055 K CB 0.266 32.768 32.500 0.003 0.000 0.652 1055 K HN 0.642 nan 8.250 nan 0.000 0.370 1056 G N 0.352 109.158 108.800 0.009 0.000 2.541 1056 G HA2 -0.220 3.751 3.960 0.019 0.000 0.201 1056 G HA3 -0.220 3.751 3.960 0.019 0.000 0.201 1056 G C 0.143 175.061 174.900 0.030 0.000 1.026 1056 G CA -0.185 44.928 45.100 0.021 0.000 0.687 1056 G HN 0.039 nan 8.290 nan 0.000 0.492 1057 V N 2.812 122.739 119.914 0.021 0.000 2.763 1057 V HA 0.309 4.441 4.120 0.019 0.000 0.306 1057 V C 1.308 177.421 176.094 0.032 0.000 1.059 1057 V CA 0.372 62.682 62.300 0.016 0.000 1.138 1057 V CB 1.269 33.097 31.823 0.009 0.000 0.940 1057 V HN 0.587 nan 8.190 nan 0.000 0.489 1058 R N 5.358 125.863 120.500 0.007 0.000 2.347 1058 R HA 0.312 4.664 4.340 0.019 0.000 0.304 1058 R C -0.131 176.174 176.300 0.009 0.000 1.072 1058 R CA -0.289 55.809 56.100 -0.003 0.000 0.980 1058 R CB 0.385 30.584 30.300 -0.168 0.000 0.986 1058 R HN 0.686 nan 8.270 nan 0.000 0.448 1059 R N 4.354 124.909 120.500 0.092 0.000 2.828 1059 R HA 0.440 4.791 4.340 0.019 0.000 0.264 1059 R C -2.328 174.042 176.300 0.116 0.000 1.022 1059 R CA -2.243 53.902 56.100 0.074 0.000 1.021 1059 R CB 1.582 31.921 30.300 0.064 0.000 1.163 1059 R HN 0.594 nan 8.270 nan 0.000 0.494 1060 P HA -0.023 nan 4.420 nan 0.000 0.264 1060 P C -1.259 176.045 177.300 0.006 0.000 1.179 1060 P CA 0.332 63.449 63.100 0.029 0.000 0.763 1060 P CB 0.605 32.299 31.700 -0.010 0.000 0.806 1061 A N 2.874 125.624 122.820 -0.117 0.000 2.475 1061 A HA 0.606 4.938 4.320 0.019 0.000 0.301 1061 A C -1.041 176.519 177.584 -0.040 0.000 1.059 1061 A CA -0.645 51.229 52.037 -0.272 0.000 0.710 1061 A CB 1.605 19.984 19.000 -1.035 0.000 1.288 1061 A HN 0.279 nan 8.150 nan 0.000 0.408 1062 V N 2.337 122.374 119.914 0.206 0.000 2.417 1062 V HA 0.360 4.491 4.120 0.019 0.000 0.291 1062 V C -0.589 175.887 176.094 0.637 0.000 1.024 1062 V CA -0.593 61.971 62.300 0.440 0.000 0.861 1062 V CB 1.518 33.529 31.823 0.314 0.000 0.985 1062 V HN 0.855 nan 8.190 nan 0.000 0.436 1063 W N 6.540 128.167 121.300 0.545 0.000 2.390 1063 W HA 0.618 5.290 4.660 0.020 0.000 0.312 1063 W C -1.914 174.608 176.519 0.004 0.000 1.123 1063 W CA -0.747 56.760 57.345 0.271 0.000 1.202 1063 W CB 1.668 31.061 29.460 -0.112 0.000 1.251 1063 W HN 0.364 nan 8.180 nan 0.000 0.511 1064 L N 6.289 127.252 121.223 -0.434 0.000 2.415 1064 L HA 0.254 4.606 4.340 0.019 0.000 0.268 1064 L C -0.250 176.383 176.870 -0.394 0.000 0.984 1064 L CA -0.542 54.166 54.840 -0.220 0.000 0.853 1064 L CB 1.296 43.319 42.059 -0.061 0.000 1.215 1064 L HN 0.510 nan 8.230 nan 0.000 0.419 1065 N N 2.200 120.815 118.700 -0.142 0.000 2.272 1065 N HA 0.937 5.689 4.740 0.019 0.000 0.305 1065 N C -0.997 174.562 175.510 0.081 0.000 1.103 1065 N CA -0.806 52.252 53.050 0.013 0.000 0.791 1065 N CB 2.650 41.340 38.487 0.338 0.000 1.356 1065 N HN 0.482 nan 8.380 nan 0.000 0.486 1066 A N 0.298 123.152 122.820 0.056 0.000 2.469 1066 A HA 0.818 5.149 4.320 0.019 0.000 0.299 1066 A C 0.679 178.270 177.584 0.011 0.000 1.098 1066 A CA -0.333 51.727 52.037 0.038 0.000 0.737 1066 A CB 0.970 19.997 19.000 0.046 0.000 1.312 1066 A HN 1.550 nan 8.150 nan 0.000 0.414 1067 G N 0.279 109.063 108.800 -0.027 0.000 2.182 1067 G HA2 -0.198 3.774 3.960 0.019 0.000 0.248 1067 G HA3 -0.198 3.774 3.960 0.019 0.000 0.248 1067 G C 0.651 175.558 174.900 0.011 0.000 1.042 1067 G CA 0.441 45.536 45.100 -0.007 0.000 0.775 1067 G HN 0.999 nan 8.290 nan 0.000 0.501 1068 I N -0.475 120.056 120.570 -0.064 0.000 2.394 1068 I HA 0.022 4.204 4.170 0.019 0.000 0.251 1068 I C 1.256 177.333 176.117 -0.067 0.000 1.136 1068 I CA 0.887 62.156 61.300 -0.051 0.000 1.425 1068 I CB 0.095 38.060 38.000 -0.058 0.000 1.079 1068 I HN 0.449 nan 8.210 nan 0.000 0.425 1069 H N -0.642 118.477 119.070 0.082 0.000 2.597 1069 H HA 0.146 4.712 4.556 0.017 0.000 0.303 1069 H C 1.476 176.874 175.328 0.117 0.000 1.057 1069 H CA -0.068 56.035 56.048 0.092 0.000 1.261 1069 H CB 1.094 30.914 29.762 0.097 0.000 1.397 1069 H HN 0.122 nan 8.280 nan 0.000 0.461 1070 S N 3.857 119.737 115.700 0.300 0.000 2.370 1070 S HA -0.292 4.189 4.470 0.019 0.000 0.226 1070 S C 1.999 176.898 174.600 0.499 0.000 1.033 1070 S CA 1.255 59.700 58.200 0.408 0.000 1.011 1070 S CB -0.154 63.339 63.200 0.488 0.000 0.852 1070 S HN 0.763 nan 8.310 nan 0.000 0.457 1071 R N 2.112 122.753 120.500 0.234 0.000 2.285 1071 R HA 0.016 4.368 4.340 0.019 0.000 0.213 1071 R C 0.257 176.567 176.300 0.016 0.000 1.068 1071 R CA 1.135 57.236 56.100 0.003 0.000 1.004 1071 R CB -0.712 29.323 30.300 -0.443 0.000 0.873 1071 R HN 0.500 nan 8.270 nan 0.000 0.467 1072 E N 1.064 121.378 120.200 0.190 0.000 2.515 1072 E HA -0.042 4.319 4.350 0.019 0.000 0.315 1072 E C -0.202 176.654 176.600 0.427 0.000 1.523 1072 E CA -0.489 56.099 56.400 0.314 0.000 1.704 1072 E CB -0.116 29.778 29.700 0.324 0.000 1.395 1072 E HN 0.369 nan 8.360 nan 0.000 0.490 1073 W N 0.344 121.724 121.300 0.132 0.000 2.359 1073 W HA -0.182 4.489 4.660 0.018 0.000 0.275 1073 W C 1.803 178.494 176.519 0.287 0.000 1.217 1073 W CA 0.165 57.596 57.345 0.145 0.000 1.196 1073 W CB -0.498 28.864 29.460 -0.164 0.000 1.129 1073 W HN 0.393 nan 8.180 nan 0.000 0.566 1074 I N 0.946 121.825 120.570 0.515 0.000 2.493 1074 I HA -0.243 3.939 4.170 0.019 0.000 0.254 1074 I C 2.502 178.812 176.117 0.322 0.000 1.160 1074 I CA 1.863 63.441 61.300 0.463 0.000 1.445 1074 I CB -0.767 37.449 38.000 0.359 0.000 1.086 1074 I HN -0.073 nan 8.210 nan 0.000 0.433 1075 S N -0.107 115.761 115.700 0.279 0.000 2.345 1075 S HA -0.251 4.231 4.470 0.019 0.000 0.220 1075 S C 1.927 176.613 174.600 0.143 0.000 1.031 1075 S CA 1.091 59.406 58.200 0.191 0.000 0.996 1075 S CB -0.836 62.454 63.200 0.151 0.000 0.882 1075 S HN 0.500 nan 8.310 nan 0.000 0.445 1076 Q N 2.014 121.875 119.800 0.102 0.000 2.077 1076 Q HA 0.063 4.415 4.340 0.019 0.000 0.206 1076 Q C 2.531 178.608 176.000 0.129 0.000 0.989 1076 Q CA 1.928 57.738 55.803 0.012 0.000 0.853 1076 Q CB -0.879 27.713 28.738 -0.242 0.000 0.907 1076 Q HN 0.753 nan 8.270 nan 0.000 0.418 1077 A N -0.386 122.576 122.820 0.236 0.000 1.930 1077 A HA -0.148 4.184 4.320 0.019 0.000 0.217 1077 A C 2.238 179.981 177.584 0.265 0.000 1.175 1077 A CA 1.728 53.942 52.037 0.295 0.000 0.627 1077 A CB -0.800 18.390 19.000 0.316 0.000 0.815 1077 A HN 0.365 nan 8.150 nan 0.000 0.443 1078 T N 0.198 114.874 114.554 0.203 0.000 2.746 1078 T HA -0.011 4.351 4.350 0.019 0.000 0.267 1078 T C 2.220 177.047 174.700 0.211 0.000 1.039 1078 T CA 1.519 63.717 62.100 0.164 0.000 1.142 1078 T CB -0.369 68.562 68.868 0.105 0.000 0.866 1078 T HN 0.577 nan 8.240 nan 0.000 0.444 1079 A N 0.976 123.892 122.820 0.160 0.000 1.898 1079 A HA -0.011 4.320 4.320 0.019 0.000 0.216 1079 A C 2.211 179.863 177.584 0.113 0.000 1.181 1079 A CA 1.199 53.305 52.037 0.114 0.000 0.620 1079 A CB -0.660 18.381 19.000 0.070 0.000 0.819 1079 A HN 0.455 nan 8.150 nan 0.000 0.442 1080 I N -1.958 118.712 120.570 0.167 0.000 2.676 1080 I HA -0.107 4.075 4.170 0.019 0.000 0.259 1080 I C 1.927 178.162 176.117 0.197 0.000 1.194 1080 I CA 0.783 62.183 61.300 0.167 0.000 1.473 1080 I CB -0.251 37.864 38.000 0.193 0.000 1.096 1080 I HN 0.612 nan 8.210 nan 0.000 0.443 1081 W N 0.710 122.039 121.300 0.048 0.000 2.418 1081 W HA -0.173 4.498 4.660 0.019 0.000 0.292 1081 W C 2.342 178.638 176.519 -0.372 0.000 1.213 1081 W CA 1.894 59.137 57.345 -0.169 0.000 1.283 1081 W CB -0.392 29.022 29.460 -0.077 0.000 1.119 1081 W HN -0.015 nan 8.180 nan 0.000 0.542 1082 T N 0.894 115.431 114.554 -0.027 0.000 2.684 1082 T HA -0.264 4.098 4.350 0.019 0.000 0.267 1082 T C 1.955 176.285 174.700 -0.618 0.000 1.036 1082 T CA 2.139 64.008 62.100 -0.384 0.000 1.148 1082 T CB -1.006 67.826 68.868 -0.061 0.000 0.863 1082 T HN 0.266 nan 8.240 nan 0.000 0.436 1083 A N 1.653 124.272 122.820 -0.335 0.000 1.908 1083 A HA -0.146 4.186 4.320 0.019 0.000 0.218 1083 A C 2.270 179.608 177.584 -0.410 0.000 1.181 1083 A CA 2.018 53.923 52.037 -0.220 0.000 0.627 1083 A CB -0.525 18.505 19.000 0.051 0.000 0.818 1083 A HN 0.321 nan 8.150 nan 0.000 0.445 1084 R N -0.324 119.844 120.500 -0.553 0.000 2.189 1084 R HA -0.018 4.334 4.340 0.019 0.000 0.218 1084 R C 1.855 177.630 176.300 -0.875 0.000 1.074 1084 R CA 1.683 57.386 56.100 -0.661 0.000 0.991 1084 R CB -0.313 29.445 30.300 -0.904 0.000 0.883 1084 R HN 0.369 nan 8.270 nan 0.000 0.457 1085 K N 0.370 120.058 120.400 -1.187 0.000 2.062 1085 K HA 0.071 4.402 4.320 0.019 0.000 0.205 1085 K C 1.732 177.765 176.600 -0.945 0.000 1.051 1085 K CA 1.531 57.025 56.287 -1.323 0.000 0.941 1085 K CB -0.307 30.951 32.500 -2.070 0.000 0.719 1085 K HN 0.220 nan 8.250 nan 0.000 0.440 1086 I N 0.657 120.662 120.570 -0.942 0.000 2.127 1086 I HA -0.288 3.894 4.170 0.019 0.000 0.241 1086 I C 2.100 177.864 176.117 -0.589 0.000 1.075 1086 I CA 1.549 62.413 61.300 -0.726 0.000 1.334 1086 I CB -0.484 36.849 38.000 -1.112 0.000 1.040 1086 I HN 0.055 nan 8.210 nan 0.000 0.405 1087 V N -3.069 116.442 119.914 -0.672 0.000 2.667 1087 V HA -0.108 4.023 4.120 0.019 0.000 0.252 1087 V C 2.119 177.685 176.094 -0.881 0.000 1.065 1087 V CA 1.835 63.664 62.300 -0.785 0.000 1.083 1087 V CB -0.514 30.756 31.823 -0.920 0.000 0.692 1087 V HN 0.296 nan 8.190 nan 0.000 0.468 1088 S N 0.091 115.427 115.700 -0.607 0.000 2.478 1088 S HA 0.027 4.508 4.470 0.019 0.000 0.222 1088 S C 1.299 175.753 174.600 -0.242 0.000 1.008 1088 S CA 1.038 59.013 58.200 -0.374 0.000 0.928 1088 S CB -0.161 62.849 63.200 -0.315 0.000 0.781 1088 S HN 0.641 nan 8.310 nan 0.000 0.518 1089 D N -0.130 120.122 120.400 -0.247 0.000 2.395 1089 D HA 0.201 4.852 4.640 0.019 0.000 0.213 1089 D C -0.527 175.740 176.300 -0.055 0.000 1.110 1089 D CA -0.225 53.699 54.000 -0.127 0.000 0.835 1089 D CB 0.181 40.925 40.800 -0.093 0.000 0.965 1089 D HN 0.315 nan 8.370 nan 0.000 0.505 1090 Y N 1.373 121.548 120.300 -0.207 0.000 2.335 1090 Y HA 0.277 4.839 4.550 0.019 0.000 0.331 1090 Y C 0.812 176.655 175.900 -0.096 0.000 1.094 1090 Y CA -0.086 57.925 58.100 -0.149 0.000 1.253 1090 Y CB 0.597 38.947 38.460 -0.182 0.000 1.203 1090 Y HN -0.064 nan 8.280 nan 0.000 0.508 1091 Q N 2.495 121.867 119.800 -0.712 0.000 2.493 1091 Q HA -0.256 4.095 4.340 0.019 0.000 0.260 1091 Q C 0.330 176.188 176.000 -0.236 0.000 0.905 1091 Q CA 1.537 57.026 55.803 -0.523 0.000 1.140 1091 Q CB -0.718 27.745 28.738 -0.459 0.000 1.435 1091 Q HN 0.976 nan 8.270 nan 0.000 0.581 1092 R N -1.334 119.063 120.500 -0.172 0.000 4.126 1092 R HA 0.095 4.446 4.340 0.019 0.000 0.128 1092 R C -0.609 175.652 176.300 -0.065 0.000 0.687 1092 R CA 0.280 56.324 56.100 -0.095 0.000 1.049 1092 R CB 0.344 30.600 30.300 -0.073 0.000 1.559 1092 R HN 0.149 nan 8.270 nan 0.000 0.455 1093 D N 2.243 122.615 120.400 -0.045 0.000 2.317 1093 D HA 0.106 4.758 4.640 0.019 0.000 0.252 1093 D C -1.947 174.335 176.300 -0.029 0.000 1.174 1093 D CA -1.977 52.015 54.000 -0.014 0.000 0.866 1093 D CB 1.720 42.543 40.800 0.038 0.000 1.127 1093 D HN -0.084 nan 8.370 nan 0.000 0.467 1094 P HA 0.003 nan 4.420 nan 0.000 0.223 1094 P C 0.546 177.829 177.300 -0.028 0.000 1.151 1094 P CA 0.793 63.869 63.100 -0.039 0.000 0.787 1094 P CB 0.290 31.969 31.700 -0.035 0.000 0.788 1095 A N -0.712 122.092 122.820 -0.026 0.000 1.878 1095 A HA -0.049 4.283 4.320 0.019 0.000 0.213 1095 A C 2.071 179.643 177.584 -0.021 0.000 1.192 1095 A CA 0.823 52.838 52.037 -0.037 0.000 0.619 1095 A CB -1.400 17.558 19.000 -0.070 0.000 0.837 1095 A HN 0.094 nan 8.150 nan 0.000 0.446 1096 I N 0.221 120.795 120.570 0.008 0.000 2.315 1096 I HA -0.157 4.025 4.170 0.019 0.000 0.248 1096 I C 2.349 178.530 176.117 0.108 0.000 1.117 1096 I CA 2.075 63.411 61.300 0.059 0.000 1.404 1096 I CB -0.446 37.648 38.000 0.158 0.000 1.071 1096 I HN 0.317 nan 8.210 nan 0.000 0.419 1097 T N -0.688 113.921 114.554 0.091 0.000 2.635 1097 T HA -0.240 4.122 4.350 0.019 0.000 0.267 1097 T C 2.089 176.861 174.700 0.119 0.000 1.040 1097 T CA 1.999 64.164 62.100 0.107 0.000 1.156 1097 T CB -0.619 68.177 68.868 -0.120 0.000 0.863 1097 T HN 0.460 nan 8.240 nan 0.000 0.430 1098 S N 0.396 116.122 115.700 0.043 0.000 2.399 1098 S HA -0.029 4.453 4.470 0.019 0.000 0.231 1098 S C 2.063 176.684 174.600 0.035 0.000 1.022 1098 S CA 0.688 58.907 58.200 0.031 0.000 0.983 1098 S CB -0.564 62.637 63.200 0.001 0.000 0.803 1098 S HN 0.464 nan 8.310 nan 0.000 0.480 1099 I N 0.909 121.498 120.570 0.031 0.000 2.202 1099 I HA -0.124 4.058 4.170 0.019 0.000 0.242 1099 I C 2.131 178.269 176.117 0.035 0.000 1.091 1099 I CA 1.151 62.464 61.300 0.022 0.000 1.368 1099 I CB -0.217 37.785 38.000 0.003 0.000 1.058 1099 I HN 0.300 nan 8.210 nan 0.000 0.410 1100 L N 0.075 121.331 121.223 0.055 0.000 2.376 1100 L HA -0.130 4.221 4.340 0.019 0.000 0.219 1100 L C 2.230 179.126 176.870 0.044 0.000 1.133 1100 L CA 0.871 55.725 54.840 0.024 0.000 0.816 1100 L CB -0.348 41.691 42.059 -0.034 0.000 0.933 1100 L HN 0.264 nan 8.230 nan 0.000 0.449 1101 E N -0.402 119.850 120.200 0.087 0.000 2.152 1101 E HA -0.156 4.205 4.350 0.019 0.000 0.192 1101 E C 1.821 178.446 176.600 0.041 0.000 0.983 1101 E CA 0.659 57.105 56.400 0.076 0.000 0.818 1101 E CB 0.286 30.031 29.700 0.076 0.000 0.758 1101 E HN 0.145 nan 8.360 nan 0.000 0.467 1102 K N -0.703 119.717 120.400 0.033 0.000 2.335 1102 K HA 0.252 4.583 4.320 0.019 0.000 0.195 1102 K C 0.508 177.123 176.600 0.025 0.000 1.058 1102 K CA 0.440 56.742 56.287 0.025 0.000 0.988 1102 K CB 0.720 33.232 32.500 0.021 0.000 0.880 1102 K HN 0.070 nan 8.250 nan 0.000 0.513 1103 M N 0.185 119.800 119.600 0.026 0.000 2.631 1103 M HA 0.253 4.745 4.480 0.019 0.000 0.288 1103 M C -1.320 174.991 176.300 0.019 0.000 1.260 1103 M CA -0.884 54.434 55.300 0.031 0.000 0.842 1103 M CB 2.247 34.874 32.600 0.045 0.000 1.743 1103 M HN -0.264 nan 8.290 nan 0.000 0.461 1104 D N 1.476 121.892 120.400 0.026 0.000 2.210 1104 D HA 0.590 5.242 4.640 0.019 0.000 0.249 1104 D C -0.984 175.324 176.300 0.012 0.000 1.062 1104 D CA 0.035 54.023 54.000 -0.020 0.000 0.891 1104 D CB 1.211 42.011 40.800 0.001 0.000 1.186 1104 D HN 0.333 nan 8.370 nan 0.000 0.432 1105 I N 1.887 122.438 120.570 -0.031 0.000 2.378 1105 I HA 0.311 4.493 4.170 0.019 0.000 0.291 1105 I C -0.676 175.397 176.117 -0.073 0.000 0.992 1105 I CA -0.700 60.644 61.300 0.073 0.000 1.154 1105 I CB 1.021 39.082 38.000 0.102 0.000 1.315 1105 I HN 0.107 nan 8.210 nan 0.000 0.448 1106 F N 6.953 126.930 119.950 0.046 0.000 2.426 1106 F HA 0.473 5.012 4.527 0.020 0.000 0.348 1106 F C -0.433 175.080 175.800 -0.479 0.000 1.124 1106 F CA -0.738 57.152 58.000 -0.183 0.000 1.008 1106 F CB 1.563 40.496 39.000 -0.111 0.000 1.139 1106 F HN 0.189 nan 8.300 nan 0.000 0.452 1107 L N 5.677 126.748 121.223 -0.253 0.000 2.325 1107 L HA 0.591 4.942 4.340 0.019 0.000 0.281 1107 L C -1.466 175.218 176.870 -0.311 0.000 1.004 1107 L CA -0.988 53.695 54.840 -0.262 0.000 0.823 1107 L CB 1.402 43.467 42.059 0.009 0.000 1.236 1107 L HN 0.528 nan 8.230 nan 0.000 0.415 1108 L N 8.595 129.607 121.223 -0.351 0.000 2.356 1108 L HA 0.600 4.951 4.340 0.019 0.000 0.264 1108 L C -2.065 174.784 176.870 -0.034 0.000 1.029 1108 L CA -1.571 53.177 54.840 -0.153 0.000 0.897 1108 L CB 1.424 43.445 42.059 -0.064 0.000 1.256 1108 L HN 0.423 nan 8.230 nan 0.000 0.444 1109 P HA -0.092 nan 4.420 nan 0.000 0.215 1109 P C -0.308 176.990 177.300 -0.003 0.000 1.153 1109 P CA 1.064 64.177 63.100 0.021 0.000 0.853 1109 P CB 0.199 31.930 31.700 0.051 0.000 0.788 1110 V N -0.767 119.167 119.914 0.033 0.000 2.320 1110 V HA 0.409 4.541 4.120 0.019 0.000 0.268 1110 V C 0.999 177.141 176.094 0.080 0.000 1.021 1110 V CA -0.352 61.939 62.300 -0.015 0.000 0.813 1110 V CB 0.457 32.240 31.823 -0.066 0.000 1.054 1110 V HN -0.019 nan 8.190 nan 0.000 0.444 1111 A N 3.323 126.194 122.820 0.086 0.000 2.168 1111 A HA 0.013 4.344 4.320 0.019 0.000 0.215 1111 A C 1.163 178.823 177.584 0.126 0.000 1.152 1111 A CA 1.224 53.343 52.037 0.137 0.000 0.716 1111 A CB -0.196 18.913 19.000 0.183 0.000 0.794 1111 A HN 0.676 nan 8.150 nan 0.000 0.465 1112 N N -0.941 117.831 118.700 0.119 0.000 2.790 1112 N HA 0.294 5.046 4.740 0.019 0.000 0.256 1112 N C -2.664 172.961 175.510 0.190 0.000 1.409 1112 N CA -1.929 51.213 53.050 0.153 0.000 0.799 1112 N CB 1.078 39.666 38.487 0.168 0.000 1.170 1112 N HN -0.091 nan 8.380 nan 0.000 0.507 1113 P HA 0.072 nan 4.420 nan 0.000 0.222 1113 P C 0.379 177.803 177.300 0.207 0.000 1.153 1113 P CA 0.739 63.953 63.100 0.191 0.000 0.798 1113 P CB 0.580 32.394 31.700 0.189 0.000 0.796 1114 D N -0.472 120.047 120.400 0.199 0.000 2.149 1114 D HA -0.055 4.596 4.640 0.019 0.000 0.201 1114 D C 2.285 178.708 176.300 0.205 0.000 0.972 1114 D CA 1.511 55.619 54.000 0.180 0.000 0.835 1114 D CB -1.176 39.725 40.800 0.168 0.000 0.966 1114 D HN 0.125 nan 8.370 nan 0.000 0.476 1115 G N -0.266 108.698 108.800 0.274 0.000 2.422 1115 G HA2 -0.306 3.666 3.960 0.019 0.000 0.218 1115 G HA3 -0.306 3.666 3.960 0.019 0.000 0.218 1115 G C 1.565 176.728 174.900 0.439 0.000 1.146 1115 G CA 0.461 45.809 45.100 0.413 0.000 0.769 1115 G HN 0.226 nan 8.290 nan 0.000 0.547 1116 Y N 1.297 121.722 120.300 0.209 0.000 2.133 1116 Y HA -0.108 4.453 4.550 0.018 0.000 0.287 1116 Y C 2.911 178.870 175.900 0.100 0.000 1.134 1116 Y CA 1.252 59.433 58.100 0.135 0.000 1.133 1116 Y CB -0.532 37.936 38.460 0.014 0.000 0.987 1116 Y HN 0.037 nan 8.280 nan 0.000 0.502 1117 V N -0.434 119.513 119.914 0.056 0.000 2.252 1117 V HA -0.369 3.763 4.120 0.019 0.000 0.249 1117 V C 2.108 178.214 176.094 0.021 0.000 1.056 1117 V CA 2.350 64.632 62.300 -0.031 0.000 1.022 1117 V CB -1.240 30.602 31.823 0.032 0.000 0.641 1117 V HN 0.535 nan 8.190 nan 0.000 0.445 1118 Y N 1.889 122.172 120.300 -0.028 0.000 2.193 1118 Y HA -0.337 4.226 4.550 0.022 0.000 0.285 1118 Y C 2.868 178.778 175.900 0.015 0.000 1.166 1118 Y CA 2.334 60.391 58.100 -0.071 0.000 1.181 1118 Y CB -0.582 37.742 38.460 -0.227 0.000 0.976 1118 Y HN 0.511 nan 8.280 nan 0.000 0.520 1119 T N -2.490 112.183 114.554 0.199 0.000 2.867 1119 T HA -0.178 4.184 4.350 0.019 0.000 0.268 1119 T C 1.482 176.302 174.700 0.200 0.000 1.057 1119 T CA 1.484 63.733 62.100 0.248 0.000 1.136 1119 T CB -0.328 68.843 68.868 0.505 0.000 0.874 1119 T HN 0.508 nan 8.240 nan 0.000 0.466 1120 Q N 0.912 120.732 119.800 0.034 0.000 2.451 1120 Q HA 0.080 4.432 4.340 0.019 0.000 0.206 1120 Q C 1.890 177.869 176.000 -0.034 0.000 0.947 1120 Q CA 1.354 57.159 55.803 0.004 0.000 0.937 1120 Q CB 0.153 28.735 28.738 -0.259 0.000 1.025 1120 Q HN 0.880 nan 8.270 nan 0.000 0.511 1121 T N -4.617 109.881 114.554 -0.094 0.000 2.980 1121 T HA 0.139 4.501 4.350 0.019 0.000 0.252 1121 T C 1.494 176.070 174.700 -0.207 0.000 0.962 1121 T CA -0.068 61.960 62.100 -0.121 0.000 0.932 1121 T CB 0.384 69.189 68.868 -0.106 0.000 1.188 1121 T HN -0.080 nan 8.240 nan 0.000 0.500 1122 Q N 0.699 120.270 119.800 -0.382 0.000 2.445 1122 Q HA 0.428 4.779 4.340 0.019 0.000 0.257 1122 Q C -0.535 175.187 176.000 -0.463 0.000 0.806 1122 Q CA 0.336 55.804 55.803 -0.559 0.000 0.987 1122 Q CB 1.039 29.123 28.738 -1.089 0.000 1.248 1122 Q HN 0.409 nan 8.270 nan 0.000 0.542 1123 N N -0.177 118.280 118.700 -0.405 0.000 2.812 1123 N HA 0.131 4.882 4.740 0.019 0.000 0.262 1123 N C -0.521 175.093 175.510 0.174 0.000 1.241 1123 N CA 0.015 53.060 53.050 -0.009 0.000 0.854 1123 N CB 0.957 39.524 38.487 0.132 0.000 1.506 1123 N HN -0.022 nan 8.380 nan 0.000 0.576 1124 R N 2.623 123.235 120.500 0.187 0.000 2.193 1124 R HA 0.130 4.481 4.340 0.019 0.000 0.229 1124 R C 0.552 176.830 176.300 -0.036 0.000 1.110 1124 R CA 1.414 57.530 56.100 0.027 0.000 0.988 1124 R CB -0.023 30.201 30.300 -0.127 0.000 0.871 1124 R HN 0.493 nan 8.270 nan 0.000 0.458 1125 L N -0.055 121.213 121.223 0.075 0.000 2.667 1125 L HA 0.213 4.565 4.340 0.019 0.000 0.232 1125 L C -0.187 176.714 176.870 0.052 0.000 1.138 1125 L CA -0.161 54.652 54.840 -0.045 0.000 0.921 1125 L CB -0.530 41.525 42.059 -0.007 0.000 1.180 1125 L HN 0.251 nan 8.230 nan 0.000 0.487 1126 W N 2.195 123.538 121.300 0.073 0.000 2.210 1126 W HA 0.078 4.752 4.660 0.023 0.000 0.330 1126 W C 1.170 177.720 176.519 0.052 0.000 1.334 1126 W CA 0.108 57.538 57.345 0.141 0.000 1.227 1126 W CB 0.816 30.497 29.460 0.368 0.000 1.178 1126 W HN 0.341 nan 8.180 nan 0.000 0.560 1127 R N 2.663 122.764 120.500 -0.664 0.000 2.412 1127 R HA 0.196 4.548 4.340 0.019 0.000 0.212 1127 R C 0.292 176.466 176.300 -0.209 0.000 0.878 1127 R CA -0.246 55.649 56.100 -0.343 0.000 1.022 1127 R CB 0.213 30.285 30.300 -0.378 0.000 1.265 1127 R HN 0.219 nan 8.270 nan 0.000 0.620 1128 K N 1.738 121.807 120.400 -0.550 0.000 2.386 1128 K HA 0.126 4.457 4.320 0.019 0.000 0.249 1128 K C 0.355 177.115 176.600 0.267 0.000 1.055 1128 K CA 0.332 56.559 56.287 -0.100 0.000 0.930 1128 K CB 0.504 32.887 32.500 -0.196 0.000 1.230 1128 K HN 0.138 nan 8.250 nan 0.000 0.507 1129 T N -0.927 113.762 114.554 0.225 0.000 2.753 1129 T HA 0.179 4.541 4.350 0.019 0.000 0.309 1129 T C 0.762 175.603 174.700 0.236 0.000 1.043 1129 T CA -0.528 61.697 62.100 0.208 0.000 0.964 1129 T CB 0.462 69.379 68.868 0.082 0.000 1.206 1129 T HN 0.335 nan 8.240 nan 0.000 0.528 1130 R N 0.796 121.319 120.500 0.039 0.000 2.696 1130 R HA 0.251 4.602 4.340 0.019 0.000 0.355 1130 R C 0.578 176.580 176.300 -0.497 0.000 1.138 1130 R CA -0.231 55.780 56.100 -0.149 0.000 1.059 1130 R CB -0.406 29.796 30.300 -0.163 0.000 1.380 1130 R HN 0.841 nan 8.270 nan 0.000 0.578 1131 S N 0.541 115.838 115.700 -0.672 0.000 2.572 1131 S HA 0.249 4.730 4.470 0.019 0.000 0.279 1131 S C 0.348 174.524 174.600 -0.706 0.000 1.341 1131 S CA -0.594 56.805 58.200 -1.335 0.000 1.043 1131 S CB 1.618 64.385 63.200 -0.721 0.000 0.887 1131 S HN 0.178 nan 8.310 nan 0.000 0.516 1132 R N 2.258 122.370 120.500 -0.646 0.000 2.230 1132 R HA 0.285 4.636 4.340 0.019 0.000 0.337 1132 R C -0.994 175.278 176.300 -0.047 0.000 1.063 1132 R CA -0.315 55.682 56.100 -0.171 0.000 0.935 1132 R CB -0.223 30.098 30.300 0.034 0.000 1.121 1132 R HN 0.666 nan 8.270 nan 0.000 0.486 1133 N N 6.964 125.644 118.700 -0.034 0.000 2.399 1133 N HA 0.060 4.811 4.740 0.019 0.000 0.259 1133 N C -1.880 173.646 175.510 0.026 0.000 1.160 1133 N CA -1.571 51.489 53.050 0.018 0.000 0.946 1133 N CB 1.167 39.653 38.487 -0.002 0.000 1.156 1133 N HN 0.452 nan 8.380 nan 0.000 0.489 1134 P HA -0.070 nan 4.420 nan 0.000 0.228 1134 P C 0.714 178.039 177.300 0.041 0.000 1.151 1134 P CA 0.924 64.059 63.100 0.059 0.000 0.770 1134 P CB 0.286 32.034 31.700 0.080 0.000 0.786 1135 G N -1.858 106.960 108.800 0.031 0.000 3.774 1135 G HA2 0.270 4.242 3.960 0.019 0.000 0.287 1135 G HA3 0.270 4.242 3.960 0.019 0.000 0.287 1135 G C -0.076 174.820 174.900 -0.007 0.000 1.030 1135 G CA 0.093 45.203 45.100 0.017 0.000 0.824 1135 G HN 0.247 nan 8.290 nan 0.000 0.518 1136 S N -1.030 114.660 115.700 -0.017 0.000 2.579 1136 S HA 0.462 4.944 4.470 0.019 0.000 0.272 1136 S C 1.091 175.675 174.600 -0.027 0.000 1.141 1136 S CA 0.180 58.357 58.200 -0.038 0.000 0.843 1136 S CB 1.503 64.652 63.200 -0.085 0.000 1.122 1136 S HN 0.322 nan 8.310 nan 0.000 0.468 1137 S N 0.380 116.064 115.700 -0.026 0.000 2.558 1137 S HA 0.155 4.637 4.470 0.019 0.000 0.217 1137 S C 0.712 175.300 174.600 -0.019 0.000 0.975 1137 S CA -0.100 58.090 58.200 -0.017 0.000 0.912 1137 S CB -0.578 62.616 63.200 -0.010 0.000 0.776 1137 S HN 0.566 nan 8.310 nan 0.000 0.526 1138 c N 1.835 120.415 118.600 -0.033 0.000 2.539 1138 c HA 0.621 5.203 4.570 0.019 0.000 0.392 1138 c C 0.230 174.312 174.090 -0.012 0.000 1.269 1138 c CA -0.719 55.599 56.329 -0.018 0.000 2.250 1138 c CB -0.374 42.104 42.510 -0.053 0.000 2.584 1138 c HN 0.474 nan 8.230 nan 0.000 0.589 1139 I N 2.546 123.152 120.570 0.060 0.000 2.404 1139 I HA 0.684 4.865 4.170 0.019 0.000 0.293 1139 I C 0.603 176.833 176.117 0.188 0.000 0.992 1139 I CA 1.098 62.430 61.300 0.053 0.000 1.149 1139 I CB 0.919 38.885 38.000 -0.055 0.000 1.315 1139 I HN 1.033 nan 8.210 nan 0.000 0.446 1140 G N 4.034 112.885 108.800 0.085 0.000 2.690 1140 G HA2 0.412 4.384 3.960 0.019 0.000 0.686 1140 G HA3 0.412 4.384 3.960 0.019 0.000 0.686 1140 G C -1.097 173.913 174.900 0.183 0.000 1.277 1140 G CA -0.451 44.732 45.100 0.139 0.000 0.799 1140 G HN 1.027 nan 8.290 nan 0.000 0.613 1141 A N 0.384 123.282 122.820 0.129 0.000 2.384 1141 A HA 0.768 5.099 4.320 0.019 0.000 0.312 1141 A C -0.149 177.478 177.584 0.072 0.000 1.113 1141 A CA 0.095 52.203 52.037 0.118 0.000 0.779 1141 A CB 1.722 20.697 19.000 -0.042 0.000 1.307 1141 A HN 1.157 nan 8.150 nan 0.000 0.436 1142 D N 1.465 121.907 120.400 0.069 0.000 2.342 1142 D HA 0.216 4.867 4.640 0.019 0.000 0.260 1142 D C -1.592 174.804 176.300 0.161 0.000 1.278 1142 D CA -1.539 52.543 54.000 0.137 0.000 0.910 1142 D CB 1.052 41.937 40.800 0.142 0.000 1.079 1142 D HN 0.065 nan 8.370 nan 0.000 0.496 1143 P HA -0.118 nan 4.420 nan 0.000 0.216 1143 P C 0.718 178.179 177.300 0.267 0.000 1.150 1143 P CA 0.975 64.149 63.100 0.122 0.000 0.837 1143 P CB 0.201 31.964 31.700 0.106 0.000 0.786 1144 N N -1.501 117.395 118.700 0.327 0.000 2.362 1144 N HA 0.020 4.772 4.740 0.019 0.000 0.204 1144 N C 1.108 176.838 175.510 0.366 0.000 1.166 1144 N CA 0.128 53.426 53.050 0.413 0.000 0.831 1144 N CB -0.175 38.489 38.487 0.296 0.000 1.008 1144 N HN -0.184 nan 8.380 nan 0.000 0.472 1145 R N -1.170 119.519 120.500 0.315 0.000 2.531 1145 R HA 0.300 4.652 4.340 0.019 0.000 0.316 1145 R C 0.957 177.412 176.300 0.258 0.000 0.955 1145 R CA -0.016 56.219 56.100 0.226 0.000 1.120 1145 R CB 0.035 30.413 30.300 0.130 0.000 1.361 1145 R HN 0.185 nan 8.270 nan 0.000 0.534 1146 N N -0.628 118.249 118.700 0.295 0.000 2.322 1146 N HA -0.008 4.744 4.740 0.019 0.000 0.181 1146 N C -0.462 175.141 175.510 0.155 0.000 1.088 1146 N CA -0.065 53.107 53.050 0.202 0.000 0.885 1146 N CB 0.325 38.784 38.487 -0.047 0.000 1.013 1146 N HN -0.010 nan 8.380 nan 0.000 0.472 1147 W N 1.957 123.297 121.300 0.067 0.000 2.148 1147 W HA 0.124 4.792 4.660 0.013 0.000 0.347 1147 W C 0.942 177.512 176.519 0.086 0.000 1.288 1147 W CA -0.365 56.952 57.345 -0.046 0.000 1.252 1147 W CB 0.012 29.431 29.460 -0.068 0.000 1.156 1147 W HN -0.008 nan 8.180 nan 0.000 0.580 1148 N N 1.989 120.866 118.700 0.296 0.000 3.103 1148 N HA 0.305 5.056 4.740 0.019 0.000 0.305 1148 N C -1.276 174.489 175.510 0.424 0.000 1.232 1148 N CA 0.069 53.305 53.050 0.310 0.000 1.190 1148 N CB -0.556 38.087 38.487 0.260 0.000 1.461 1148 N HN 0.411 nan 8.380 nan 0.000 0.538 1149 A N 1.166 124.180 122.820 0.324 0.000 2.679 1149 A HA 0.411 4.743 4.320 0.019 0.000 0.288 1149 A C 0.495 178.032 177.584 -0.079 0.000 1.160 1149 A CA -0.554 51.590 52.037 0.177 0.000 0.763 1149 A CB 0.124 19.336 19.000 0.354 0.000 1.270 1149 A HN 0.424 nan 8.150 nan 0.000 0.417 1150 S N 1.113 116.607 115.700 -0.344 0.000 3.486 1150 S HA -0.224 4.257 4.470 0.019 0.000 0.371 1150 S C 0.197 174.704 174.600 -0.154 0.000 1.001 1150 S CA 0.943 58.880 58.200 -0.439 0.000 1.164 1150 S CB -1.883 60.691 63.200 -1.043 0.000 0.911 1150 S HN 1.722 nan 8.310 nan 0.000 0.472 1151 F N 1.679 121.538 119.950 -0.152 0.000 2.629 1151 F HA 0.326 4.882 4.527 0.049 0.000 0.369 1151 F C 1.130 176.809 175.800 -0.202 0.000 1.125 1151 F CA 0.979 58.902 58.000 -0.128 0.000 1.330 1151 F CB 0.013 38.951 39.000 -0.103 0.000 1.071 1151 F HN 1.005 nan 8.300 nan 0.000 0.595 1152 A N 3.394 125.477 122.820 -1.228 0.000 2.832 1152 A HA -0.171 4.160 4.320 0.019 0.000 0.280 1152 A C 0.893 178.267 177.584 -0.349 0.000 1.464 1152 A CA 1.086 52.540 52.037 -0.972 0.000 0.804 1152 A CB -2.369 15.993 19.000 -1.062 0.000 1.020 1152 A HN 1.606 nan 8.150 nan 0.000 0.563 1153 G N -0.239 108.418 108.800 -0.239 0.000 2.975 1153 G HA2 0.481 4.453 3.960 0.019 0.000 0.159 1153 G HA3 0.481 4.453 3.960 0.019 0.000 0.159 1153 G C 0.287 175.139 174.900 -0.080 0.000 1.525 1153 G CA -0.108 44.914 45.100 -0.129 0.000 1.075 1153 G HN 0.875 nan 8.290 nan 0.000 0.574 1154 K N -0.320 120.045 120.400 -0.058 0.000 2.126 1154 K HA 0.451 4.783 4.320 0.019 0.000 0.257 1154 K C 0.820 177.358 176.600 -0.103 0.000 1.007 1154 K CA 0.155 56.405 56.287 -0.062 0.000 0.928 1154 K CB 0.914 33.380 32.500 -0.055 0.000 1.013 1154 K HN 1.336 nan 8.250 nan 0.000 0.473 1155 G N -0.478 108.253 108.800 -0.114 0.000 2.189 1155 G HA2 -0.283 3.688 3.960 0.019 0.000 0.267 1155 G HA3 -0.283 3.688 3.960 0.019 0.000 0.267 1155 G C 0.084 174.943 174.900 -0.070 0.000 0.975 1155 G CA 0.392 45.383 45.100 -0.181 0.000 0.644 1155 G HN 1.013 nan 8.290 nan 0.000 0.537 1156 A N -0.888 121.915 122.820 -0.028 0.000 2.384 1156 A HA 0.941 5.272 4.320 0.019 0.000 0.312 1156 A C 0.099 177.683 177.584 0.001 0.000 1.113 1156 A CA 0.574 52.615 52.037 0.007 0.000 0.779 1156 A CB 1.837 20.867 19.000 0.050 0.000 1.307 1156 A HN 1.673 nan 8.150 nan 0.000 0.436 1157 S N -0.466 115.179 115.700 -0.091 0.000 2.532 1157 S HA 0.493 4.974 4.470 0.019 0.000 0.301 1157 S C -0.272 174.097 174.600 -0.384 0.000 1.083 1157 S CA -0.086 58.042 58.200 -0.119 0.000 1.025 1157 S CB 1.337 64.504 63.200 -0.055 0.000 1.056 1157 S HN 0.736 nan 8.310 nan 0.000 0.494 1158 D N 2.021 122.314 120.400 -0.179 0.000 2.358 1158 D HA 0.070 4.722 4.640 0.019 0.000 0.224 1158 D C 0.018 176.312 176.300 -0.010 0.000 1.123 1158 D CA -0.190 53.762 54.000 -0.080 0.000 0.833 1158 D CB -0.547 40.384 40.800 0.219 0.000 0.946 1158 D HN 0.348 nan 8.370 nan 0.000 0.505 1159 N N 1.331 119.965 118.700 -0.110 0.000 2.420 1159 N HA 0.170 4.922 4.740 0.019 0.000 0.249 1159 N C -1.889 173.279 175.510 -0.570 0.000 1.033 1159 N CA -2.094 50.807 53.050 -0.248 0.000 0.944 1159 N CB 1.773 40.178 38.487 -0.135 0.000 1.113 1159 N HN -0.230 nan 8.380 nan 0.000 0.502 1160 P HA -0.089 nan 4.420 nan 0.000 0.218 1160 P C 0.701 177.735 177.300 -0.443 0.000 1.146 1160 P CA 1.022 63.427 63.100 -1.158 0.000 0.813 1160 P CB 0.209 31.482 31.700 -0.713 0.000 0.778 1161 c N -1.799 116.644 118.600 -0.262 0.000 2.481 1161 c HA 0.103 4.684 4.570 0.019 0.000 0.275 1161 c C 1.611 175.652 174.090 -0.083 0.000 1.419 1161 c CA 0.008 56.268 56.329 -0.115 0.000 1.773 1161 c CB -1.528 40.937 42.510 -0.077 0.000 1.862 1161 c HN 0.239 nan 8.230 nan 0.000 0.530 1162 S N 1.004 116.645 115.700 -0.098 0.000 2.576 1162 S HA 0.061 4.542 4.470 0.019 0.000 0.276 1162 S C 1.147 175.725 174.600 -0.037 0.000 1.339 1162 S CA -0.078 58.093 58.200 -0.048 0.000 1.039 1162 S CB 0.521 63.699 63.200 -0.036 0.000 0.902 1162 S HN 0.424 nan 8.310 nan 0.000 0.516 1163 E N 2.137 122.307 120.200 -0.050 0.000 2.338 1163 E HA -0.059 4.302 4.350 0.019 0.000 0.197 1163 E C 1.377 177.949 176.600 -0.047 0.000 1.007 1163 E CA 1.034 57.379 56.400 -0.093 0.000 0.849 1163 E CB -0.114 29.536 29.700 -0.083 0.000 0.774 1163 E HN 0.670 nan 8.360 nan 0.000 0.506 1164 V N -1.813 118.101 119.914 0.000 0.000 3.121 1164 V HA 0.183 4.315 4.120 0.019 0.000 0.344 1164 V C 0.208 176.315 176.094 0.022 0.000 1.390 1164 V CA -0.839 61.477 62.300 0.026 0.000 1.177 1164 V CB -1.092 30.756 31.823 0.042 0.000 1.163 1164 V HN -0.034 nan 8.190 nan 0.000 0.484 1165 Y N 3.860 124.086 120.300 -0.124 0.000 2.729 1165 Y HA 0.182 4.710 4.550 -0.037 0.000 0.331 1165 Y C 1.630 177.450 175.900 -0.134 0.000 1.208 1165 Y CA 0.033 58.005 58.100 -0.214 0.000 1.521 1165 Y CB 0.374 38.740 38.460 -0.157 0.000 1.233 1165 Y HN 0.685 nan 8.280 nan 0.000 0.539 1166 H N 3.473 122.290 119.070 -0.422 0.000 2.524 1166 H HA 0.364 4.936 4.556 0.026 0.000 0.282 1166 H C 1.073 176.106 175.328 -0.492 0.000 1.016 1166 H CA -0.138 55.650 56.048 -0.433 0.000 1.270 1166 H CB -0.490 28.918 29.762 -0.591 0.000 1.394 1166 H HN 0.879 nan 8.280 nan 0.000 0.568 1167 G N 0.032 108.162 108.800 -1.116 0.000 2.612 1167 G HA2 -0.163 3.808 3.960 0.019 0.000 0.686 1167 G HA3 -0.163 3.808 3.960 0.019 0.000 0.686 1167 G C -2.056 172.763 174.900 -0.136 0.000 1.274 1167 G CA -0.458 44.191 45.100 -0.751 0.000 0.849 1167 G HN 0.195 nan 8.290 nan 0.000 0.595 1168 P HA 0.057 nan 4.420 nan 0.000 0.223 1168 P C 0.494 177.925 177.300 0.219 0.000 1.151 1168 P CA 2.132 65.358 63.100 0.210 0.000 0.787 1168 P CB -0.097 31.719 31.700 0.195 0.000 0.788 1169 H N -3.828 115.250 119.070 0.014 0.000 2.981 1169 H HA 0.688 5.255 4.556 0.018 0.000 0.327 1169 H C -1.030 173.753 175.328 -0.908 0.000 1.342 1169 H CA -1.231 54.578 56.048 -0.398 0.000 1.123 1169 H CB 0.057 29.663 29.762 -0.260 0.000 1.851 1169 H HN -0.034 nan 8.280 nan 0.000 0.531 1170 A N 1.213 123.185 122.820 -1.413 0.000 2.540 1170 A HA 0.173 4.504 4.320 0.019 0.000 0.239 1170 A C 0.365 177.705 177.584 -0.406 0.000 1.061 1170 A CA 0.328 51.758 52.037 -1.012 0.000 0.758 1170 A CB -0.735 17.845 19.000 -0.700 0.000 0.991 1170 A HN 0.899 nan 8.150 nan 0.000 0.502 1171 N N 0.921 119.395 118.700 -0.377 0.000 2.708 1171 N HA -0.252 4.499 4.740 0.019 0.000 0.251 1171 N C 1.160 176.497 175.510 -0.288 0.000 1.123 1171 N CA 1.429 54.258 53.050 -0.369 0.000 0.739 1171 N CB -1.973 36.323 38.487 -0.318 0.000 1.113 1171 N HN 1.126 nan 8.380 nan 0.000 0.561 1172 S N -0.925 114.533 115.700 -0.404 0.000 2.382 1172 S HA -0.128 4.353 4.470 0.019 0.000 0.228 1172 S C 0.646 175.109 174.600 -0.228 0.000 1.027 1172 S CA 0.641 58.545 58.200 -0.492 0.000 0.991 1172 S CB 0.137 62.828 63.200 -0.848 0.000 0.823 1172 S HN 0.226 nan 8.310 nan 0.000 0.469 1173 E N 2.429 122.496 120.200 -0.221 0.000 2.265 1173 E HA 0.160 4.521 4.350 0.019 0.000 0.272 1173 E C 1.422 177.946 176.600 -0.127 0.000 1.067 1173 E CA 0.184 56.506 56.400 -0.131 0.000 0.900 1173 E CB 1.378 30.992 29.700 -0.145 0.000 1.017 1173 E HN 0.374 nan 8.360 nan 0.000 0.431 1174 V N 1.390 121.295 119.914 -0.015 0.000 2.594 1174 V HA -0.256 3.876 4.120 0.019 0.000 0.253 1174 V C 1.398 177.462 176.094 -0.050 0.000 1.069 1174 V CA 1.385 63.676 62.300 -0.015 0.000 1.082 1174 V CB -0.395 31.461 31.823 0.055 0.000 0.680 1174 V HN 0.367 nan 8.190 nan 0.000 0.469 1175 E N 1.068 121.247 120.200 -0.035 0.000 2.110 1175 E HA -0.109 4.252 4.350 0.019 0.000 0.193 1175 E C 2.158 178.653 176.600 -0.174 0.000 0.988 1175 E CA 1.730 58.101 56.400 -0.048 0.000 0.804 1175 E CB -0.550 29.158 29.700 0.014 0.000 0.745 1175 E HN 0.563 nan 8.360 nan 0.000 0.458 1176 V N 0.673 120.381 119.914 -0.342 0.000 2.346 1176 V HA -0.186 3.946 4.120 0.019 0.000 0.244 1176 V C 2.165 177.845 176.094 -0.690 0.000 1.037 1176 V CA 1.475 63.322 62.300 -0.756 0.000 1.029 1176 V CB -0.373 30.803 31.823 -1.078 0.000 0.663 1176 V HN 0.106 nan 8.190 nan 0.000 0.454 1177 K N 0.933 121.066 120.400 -0.445 0.000 2.044 1177 K HA -0.169 4.163 4.320 0.019 0.000 0.210 1177 K C 2.370 178.837 176.600 -0.221 0.000 1.049 1177 K CA 2.026 58.128 56.287 -0.308 0.000 0.927 1177 K CB -0.872 31.521 32.500 -0.178 0.000 0.713 1177 K HN 0.376 nan 8.250 nan 0.000 0.443 1178 S N -0.459 115.145 115.700 -0.159 0.000 2.380 1178 S HA -0.149 4.333 4.470 0.019 0.000 0.229 1178 S C 1.887 176.437 174.600 -0.084 0.000 1.043 1178 S CA 1.570 59.721 58.200 -0.080 0.000 1.038 1178 S CB -0.316 62.854 63.200 -0.051 0.000 0.872 1178 S HN 0.156 nan 8.310 nan 0.000 0.456 1179 V N 0.739 120.542 119.914 -0.186 0.000 2.407 1179 V HA -0.048 4.083 4.120 0.019 0.000 0.245 1179 V C 2.237 178.141 176.094 -0.317 0.000 1.041 1179 V CA 1.030 63.169 62.300 -0.269 0.000 1.040 1179 V CB -0.582 31.118 31.823 -0.205 0.000 0.671 1179 V HN 0.321 nan 8.190 nan 0.000 0.455 1180 V N 0.419 120.088 119.914 -0.410 0.000 2.469 1180 V HA -0.261 3.870 4.120 0.019 0.000 0.251 1180 V C 2.214 178.265 176.094 -0.073 0.000 1.064 1180 V CA 2.193 64.250 62.300 -0.405 0.000 1.066 1180 V CB -0.579 30.907 31.823 -0.560 0.000 0.667 1180 V HN 0.564 nan 8.190 nan 0.000 0.461 1181 D N -1.057 119.299 120.400 -0.074 0.000 2.137 1181 D HA -0.089 4.562 4.640 0.019 0.000 0.202 1181 D C 1.839 178.154 176.300 0.026 0.000 0.970 1181 D CA 0.898 54.896 54.000 -0.002 0.000 0.837 1181 D CB -0.229 40.568 40.800 -0.005 0.000 0.981 1181 D HN 0.411 nan 8.370 nan 0.000 0.475 1182 F N 1.299 121.187 119.950 -0.104 0.000 2.095 1182 F HA -0.138 4.400 4.527 0.018 0.000 0.298 1182 F C 2.205 177.956 175.800 -0.083 0.000 1.104 1182 F CA 1.239 59.191 58.000 -0.080 0.000 1.232 1182 F CB -0.159 38.775 39.000 -0.110 0.000 0.987 1182 F HN -0.129 nan 8.300 nan 0.000 0.475 1183 I N -0.001 120.548 120.570 -0.036 0.000 2.179 1183 I HA -0.335 3.847 4.170 0.019 0.000 0.242 1183 I C 2.352 178.524 176.117 0.093 0.000 1.088 1183 I CA 1.578 62.789 61.300 -0.148 0.000 1.357 1183 I CB -0.522 37.304 38.000 -0.291 0.000 1.051 1183 I HN 0.269 nan 8.210 nan 0.000 0.409 1184 Q N 0.245 120.123 119.800 0.129 0.000 2.167 1184 Q HA -0.214 4.137 4.340 0.019 0.000 0.202 1184 Q C 2.206 178.244 176.000 0.062 0.000 0.970 1184 Q CA 0.892 56.770 55.803 0.124 0.000 0.855 1184 Q CB -0.188 28.639 28.738 0.148 0.000 0.911 1184 Q HN 0.357 nan 8.270 nan 0.000 0.438 1185 K N 0.969 121.369 120.400 0.001 0.000 2.026 1185 K HA -0.223 4.109 4.320 0.019 0.000 0.208 1185 K C 1.943 178.516 176.600 -0.046 0.000 1.048 1185 K CA 1.377 57.631 56.287 -0.055 0.000 0.929 1185 K CB -0.354 32.068 32.500 -0.130 0.000 0.713 1185 K HN 0.332 nan 8.250 nan 0.000 0.439 1186 H N -0.370 118.605 119.070 -0.159 0.000 2.267 1186 H HA -0.158 4.409 4.556 0.019 0.000 0.297 1186 H C 1.260 176.616 175.328 0.046 0.000 1.080 1186 H CA 2.882 58.895 56.048 -0.058 0.000 1.278 1186 H CB -0.074 29.750 29.762 0.103 0.000 1.365 1186 H HN 0.542 nan 8.280 nan 0.000 0.489 1187 G N 0.460 109.449 108.800 0.314 0.000 2.195 1187 G HA2 -0.273 3.698 3.960 0.019 0.000 0.246 1187 G HA3 -0.273 3.698 3.960 0.019 0.000 0.246 1187 G C 0.499 175.545 174.900 0.244 0.000 0.984 1187 G CA 0.567 45.785 45.100 0.197 0.000 0.633 1187 G HN 0.567 nan 8.290 nan 0.000 0.525 1188 N N -0.193 118.782 118.700 0.457 0.000 2.571 1188 N HA 0.409 5.161 4.740 0.019 0.000 0.298 1188 N C -0.700 174.960 175.510 0.250 0.000 1.671 1188 N CA -0.575 52.640 53.050 0.276 0.000 0.900 1188 N CB -0.062 38.490 38.487 0.109 0.000 1.365 1188 N HN 0.138 nan 8.380 nan 0.000 0.493 1189 F N 0.812 120.891 119.950 0.215 0.000 2.410 1189 F HA 0.352 4.892 4.527 0.021 0.000 0.348 1189 F C 1.695 177.605 175.800 0.183 0.000 1.106 1189 F CA -0.219 57.894 58.000 0.189 0.000 1.163 1189 F CB 1.419 40.547 39.000 0.213 0.000 1.129 1189 F HN -0.128 nan 8.300 nan 0.000 0.516 1190 K N 1.874 122.469 120.400 0.324 0.000 2.350 1190 K HA 0.294 4.625 4.320 0.019 0.000 0.196 1190 K C 0.688 177.618 176.600 0.550 0.000 1.084 1190 K CA 0.303 56.786 56.287 0.328 0.000 0.967 1190 K CB 0.707 33.326 32.500 0.197 0.000 0.950 1190 K HN 0.693 nan 8.250 nan 0.000 0.512 1191 G N 0.812 109.961 108.800 0.581 0.000 2.571 1191 G HA2 0.571 4.542 3.960 0.019 0.000 0.304 1191 G HA3 0.571 4.542 3.960 0.019 0.000 0.304 1191 G C -1.842 173.482 174.900 0.707 0.000 1.314 1191 G CA -0.348 45.136 45.100 0.641 0.000 0.975 1191 G HN -0.001 nan 8.290 nan 0.000 0.485 1192 F N 2.131 122.380 119.950 0.499 0.000 2.730 1192 F HA 0.617 5.156 4.527 0.020 0.000 0.335 1192 F C -1.140 174.927 175.800 0.445 0.000 1.212 1192 F CA -1.223 57.063 58.000 0.475 0.000 1.016 1192 F CB 1.382 40.575 39.000 0.321 0.000 1.290 1192 F HN 0.314 nan 8.300 nan 0.000 0.495 1193 I N 4.956 125.797 120.570 0.451 0.000 2.439 1193 I HA 0.261 4.443 4.170 0.019 0.000 0.285 1193 I C -1.171 175.186 176.117 0.401 0.000 1.021 1193 I CA -0.698 60.913 61.300 0.519 0.000 1.091 1193 I CB 1.735 40.015 38.000 0.466 0.000 1.242 1193 I HN 0.385 nan 8.210 nan 0.000 0.439 1194 D N 7.318 128.042 120.400 0.540 0.000 2.232 1194 D HA 0.463 5.114 4.640 0.019 0.000 0.242 1194 D C -0.839 175.767 176.300 0.510 0.000 1.093 1194 D CA -0.091 54.208 54.000 0.499 0.000 0.845 1194 D CB 1.234 42.390 40.800 0.592 0.000 1.124 1194 D HN 0.329 nan 8.370 nan 0.000 0.467 1195 L N 4.785 126.214 121.223 0.343 0.000 2.280 1195 L HA 0.407 4.758 4.340 0.019 0.000 0.287 1195 L C 0.464 177.456 176.870 0.203 0.000 1.023 1195 L CA -0.653 54.382 54.840 0.324 0.000 0.819 1195 L CB 1.111 43.287 42.059 0.195 0.000 1.212 1195 L HN 0.399 nan 8.230 nan 0.000 0.420 1196 H N 1.372 120.632 119.070 0.318 0.000 2.995 1196 H HA 0.705 5.272 4.556 0.018 0.000 0.305 1196 H C -0.525 174.994 175.328 0.319 0.000 1.510 1196 H CA -0.595 55.639 56.048 0.311 0.000 1.376 1196 H CB 2.440 32.386 29.762 0.306 0.000 1.918 1196 H HN 0.579 nan 8.280 nan 0.000 0.709 1197 S N -0.143 115.844 115.700 0.478 0.000 2.565 1197 S HA 0.446 4.928 4.470 0.019 0.000 0.269 1197 S C -1.640 173.211 174.600 0.418 0.000 1.153 1197 S CA -0.895 57.557 58.200 0.421 0.000 0.835 1197 S CB 1.421 64.876 63.200 0.425 0.000 1.122 1197 S HN 0.612 nan 8.310 nan 0.000 0.462 1198 Y N -0.724 119.656 120.300 0.133 0.000 2.621 1198 Y HA 0.934 5.497 4.550 0.020 0.000 0.334 1198 Y C 0.760 176.669 175.900 0.014 0.000 1.074 1198 Y CA -0.784 57.341 58.100 0.041 0.000 1.149 1198 Y CB 1.519 39.924 38.460 -0.092 0.000 1.302 1198 Y HN 0.763 nan 8.280 nan 0.000 0.501 1199 S N -1.228 114.511 115.700 0.064 0.000 4.370 1199 S HA -0.095 4.386 4.470 0.019 0.000 0.066 1199 S C -0.471 174.065 174.600 -0.107 0.000 0.840 1199 S CA 0.137 58.316 58.200 -0.035 0.000 1.142 1199 S CB -0.790 62.324 63.200 -0.143 0.000 0.604 1199 S HN 0.805 nan 8.310 nan 0.000 0.776 1200 Q N 0.634 120.305 119.800 -0.214 0.000 2.459 1200 Q HA -0.160 4.192 4.340 0.019 0.000 0.314 1200 Q C -0.923 174.665 176.000 -0.687 0.000 1.432 1200 Q CA 0.898 56.240 55.803 -0.768 0.000 0.823 1200 Q CB -1.407 26.913 28.738 -0.697 0.000 1.124 1200 Q HN 0.598 nan 8.270 nan 0.000 0.392 1201 L N 0.341 121.426 121.223 -0.229 0.000 2.323 1201 L HA 0.803 5.155 4.340 0.019 0.000 0.265 1201 L C -0.559 176.443 176.870 0.221 0.000 1.012 1201 L CA -1.340 53.516 54.840 0.027 0.000 0.820 1201 L CB 1.404 43.461 42.059 -0.003 0.000 1.334 1201 L HN 0.112 nan 8.230 nan 0.000 0.427 1202 L N 2.597 123.875 121.223 0.093 0.000 2.504 1202 L HA 0.607 4.958 4.340 0.019 0.000 0.265 1202 L C -1.053 175.783 176.870 -0.058 0.000 0.975 1202 L CA -0.140 54.621 54.840 -0.131 0.000 0.864 1202 L CB 1.351 43.218 42.059 -0.321 0.000 1.212 1202 L HN 0.561 nan 8.230 nan 0.000 0.416 1203 M N 4.659 124.244 119.600 -0.024 0.000 2.690 1203 M HA 0.654 5.145 4.480 0.019 0.000 0.302 1203 M C -1.336 174.991 176.300 0.046 0.000 1.234 1203 M CA -0.715 54.519 55.300 -0.110 0.000 0.853 1203 M CB 2.440 34.942 32.600 -0.164 0.000 1.748 1203 M HN 0.525 nan 8.290 nan 0.000 0.469 1204 Y N -2.240 118.047 120.300 -0.022 0.000 2.638 1204 Y HA 0.837 5.399 4.550 0.020 0.000 0.339 1204 Y C -3.084 172.627 175.900 -0.316 0.000 1.084 1204 Y CA -3.203 54.782 58.100 -0.192 0.000 1.068 1204 Y CB -0.344 37.977 38.460 -0.232 0.000 1.294 1204 Y HN 0.338 nan 8.280 nan 0.000 0.480 1205 P HA 0.093 nan 4.420 nan 0.000 0.268 1205 P C -1.158 175.817 177.300 -0.540 0.000 1.208 1205 P CA 0.407 63.170 63.100 -0.562 0.000 0.777 1205 P CB 0.401 31.443 31.700 -1.097 0.000 0.875 1206 Y N -0.496 119.644 120.300 -0.267 0.000 2.496 1206 Y HA 0.536 5.098 4.550 0.020 0.000 0.325 1206 Y C 1.865 177.566 175.900 -0.332 0.000 1.271 1206 Y CA -0.061 57.811 58.100 -0.379 0.000 1.368 1206 Y CB 1.071 39.212 38.460 -0.532 0.000 1.415 1206 Y HN 0.429 nan 8.280 nan 0.000 0.527 1207 G N -1.376 107.333 108.800 -0.152 0.000 2.599 1207 G HA2 -0.099 3.872 3.960 0.019 0.000 0.196 1207 G HA3 -0.099 3.872 3.960 0.019 0.000 0.196 1207 G C 0.711 175.545 174.900 -0.110 0.000 1.148 1207 G CA 0.045 45.067 45.100 -0.130 0.000 0.809 1207 G HN 0.765 nan 8.290 nan 0.000 0.764 1208 Y N -0.060 120.223 120.300 -0.027 0.000 2.544 1208 Y HA 0.662 5.224 4.550 0.019 0.000 0.286 1208 Y C 0.687 176.539 175.900 -0.081 0.000 1.141 1208 Y CA 0.111 58.165 58.100 -0.077 0.000 1.299 1208 Y CB 0.149 38.563 38.460 -0.077 0.000 1.030 1208 Y HN 0.047 nan 8.280 nan 0.000 0.543 1209 S N -0.632 115.009 115.700 -0.098 0.000 2.596 1209 S HA 0.397 4.878 4.470 0.019 0.000 0.270 1209 S C -0.102 174.469 174.600 -0.048 0.000 1.155 1209 S CA -0.701 57.486 58.200 -0.020 0.000 0.827 1209 S CB 1.768 64.992 63.200 0.040 0.000 1.130 1209 S HN -0.010 nan 8.310 nan 0.000 0.467 1210 V N 2.934 122.847 119.914 -0.002 0.000 3.478 1210 V HA 0.144 4.275 4.120 0.019 0.000 0.323 1210 V C 1.754 177.871 176.094 0.037 0.000 1.241 1210 V CA 0.385 62.694 62.300 0.016 0.000 1.274 1210 V CB -1.103 30.735 31.823 0.025 0.000 1.115 1210 V HN 0.713 nan 8.190 nan 0.000 0.424 1211 K N 1.118 121.540 120.400 0.036 0.000 2.063 1211 K HA -0.095 4.237 4.320 0.019 0.000 0.208 1211 K C 0.193 176.875 176.600 0.137 0.000 1.048 1211 K CA 0.899 57.227 56.287 0.067 0.000 0.928 1211 K CB -0.038 32.455 32.500 -0.012 0.000 0.713 1211 K HN 0.471 nan 8.250 nan 0.000 0.442 1212 K N -0.674 119.841 120.400 0.191 0.000 6.165 1212 K HA -0.114 4.218 4.320 0.019 0.000 0.850 1212 K C -0.975 175.703 176.600 0.131 0.000 2.178 1212 K CA 0.080 56.439 56.287 0.120 0.000 1.624 1212 K CB -0.914 31.628 32.500 0.069 0.000 2.431 1212 K HN 0.356 nan 8.250 nan 0.000 0.245 1213 A N 4.618 127.385 122.820 -0.088 0.000 2.498 1213 A HA 0.262 4.593 4.320 0.019 0.000 0.239 1213 A C -1.122 176.457 177.584 -0.009 0.000 1.068 1213 A CA -0.770 51.148 52.037 -0.198 0.000 0.766 1213 A CB 0.076 18.626 19.000 -0.751 0.000 1.003 1213 A HN 0.486 nan 8.150 nan 0.000 0.497 1214 P HA -0.114 nan 4.420 nan 0.000 0.216 1214 P C 0.341 177.651 177.300 0.017 0.000 1.150 1214 P CA 1.329 64.464 63.100 0.059 0.000 0.837 1214 P CB 0.190 31.924 31.700 0.055 0.000 0.786 1215 D N -1.505 118.911 120.400 0.028 0.000 2.358 1215 D HA 0.194 4.845 4.640 0.019 0.000 0.224 1215 D C 1.583 177.794 176.300 -0.147 0.000 1.123 1215 D CA 0.102 54.081 54.000 -0.034 0.000 0.833 1215 D CB 0.158 40.958 40.800 0.000 0.000 0.946 1215 D HN 0.028 nan 8.370 nan 0.000 0.505 1216 A N 1.168 123.883 122.820 -0.175 0.000 1.927 1216 A HA -0.282 4.050 4.320 0.019 0.000 0.220 1216 A C 2.094 179.522 177.584 -0.259 0.000 1.185 1216 A CA 1.532 53.423 52.037 -0.242 0.000 0.639 1216 A CB -0.385 18.570 19.000 -0.075 0.000 0.820 1216 A HN 0.235 nan 8.150 nan 0.000 0.451 1217 E N -0.996 119.127 120.200 -0.129 0.000 2.058 1217 E HA -0.241 4.120 4.350 0.019 0.000 0.194 1217 E C 2.133 178.667 176.600 -0.111 0.000 0.997 1217 E CA 1.397 57.741 56.400 -0.093 0.000 0.801 1217 E CB -0.122 29.554 29.700 -0.040 0.000 0.746 1217 E HN 0.795 nan 8.360 nan 0.000 0.450 1218 E N 0.157 120.309 120.200 -0.081 0.000 2.051 1218 E HA -0.193 4.169 4.350 0.019 0.000 0.192 1218 E C 2.173 178.711 176.600 -0.104 0.000 0.991 1218 E CA 0.880 57.260 56.400 -0.033 0.000 0.799 1218 E CB 0.009 29.769 29.700 0.101 0.000 0.748 1218 E HN 0.228 nan 8.360 nan 0.000 0.449 1219 L N 0.457 121.564 121.223 -0.193 0.000 2.093 1219 L HA -0.147 4.204 4.340 0.019 0.000 0.208 1219 L C 2.271 178.900 176.870 -0.402 0.000 1.085 1219 L CA 1.377 56.078 54.840 -0.232 0.000 0.755 1219 L CB -0.329 41.377 42.059 -0.589 0.000 0.904 1219 L HN 0.184 nan 8.230 nan 0.000 0.435 1220 D N 0.175 120.219 120.400 -0.593 0.000 2.117 1220 D HA -0.190 4.462 4.640 0.019 0.000 0.197 1220 D C 2.218 178.448 176.300 -0.116 0.000 0.987 1220 D CA 1.229 55.053 54.000 -0.294 0.000 0.829 1220 D CB 0.199 40.915 40.800 -0.140 0.000 0.961 1220 D HN 0.117 nan 8.370 nan 0.000 0.460 1221 K N -0.248 120.071 120.400 -0.136 0.000 2.097 1221 K HA -0.065 4.266 4.320 0.019 0.000 0.205 1221 K C 2.114 178.615 176.600 -0.164 0.000 1.050 1221 K CA 0.667 56.886 56.287 -0.115 0.000 0.938 1221 K CB 0.030 32.470 32.500 -0.099 0.000 0.718 1221 K HN 0.120 nan 8.250 nan 0.000 0.442 1222 V N 1.406 121.178 119.914 -0.237 0.000 2.307 1222 V HA -0.219 3.913 4.120 0.019 0.000 0.245 1222 V C 2.401 178.316 176.094 -0.299 0.000 1.045 1222 V CA 1.992 64.098 62.300 -0.325 0.000 1.024 1222 V CB -0.651 30.927 31.823 -0.408 0.000 0.651 1222 V HN 0.312 nan 8.190 nan 0.000 0.449 1223 A N -0.147 122.521 122.820 -0.254 0.000 1.902 1223 A HA -0.259 4.073 4.320 0.019 0.000 0.217 1223 A C 2.357 179.856 177.584 -0.140 0.000 1.181 1223 A CA 2.071 53.965 52.037 -0.238 0.000 0.623 1223 A CB -0.543 18.468 19.000 0.019 0.000 0.818 1223 A HN 0.470 nan 8.150 nan 0.000 0.443 1224 R N -0.968 119.487 120.500 -0.076 0.000 2.091 1224 R HA -0.036 4.316 4.340 0.019 0.000 0.238 1224 R C 2.119 178.377 176.300 -0.071 0.000 1.136 1224 R CA 1.563 57.635 56.100 -0.048 0.000 0.959 1224 R CB -0.388 29.896 30.300 -0.027 0.000 0.856 1224 R HN 0.563 nan 8.270 nan 0.000 0.437 1225 L N -0.416 120.747 121.223 -0.100 0.000 2.156 1225 L HA -0.054 4.297 4.340 0.019 0.000 0.208 1225 L C 2.243 179.046 176.870 -0.112 0.000 1.095 1225 L CA 0.897 55.680 54.840 -0.095 0.000 0.770 1225 L CB -0.249 41.751 42.059 -0.098 0.000 0.914 1225 L HN 0.281 nan 8.230 nan 0.000 0.439 1226 A N -0.224 122.503 122.820 -0.156 0.000 1.902 1226 A HA -0.175 4.156 4.320 0.019 0.000 0.217 1226 A C 2.433 179.944 177.584 -0.121 0.000 1.181 1226 A CA 1.609 53.557 52.037 -0.148 0.000 0.623 1226 A CB -0.679 18.197 19.000 -0.207 0.000 0.818 1226 A HN 0.473 nan 8.150 nan 0.000 0.443 1227 A N -0.186 122.552 122.820 -0.137 0.000 1.877 1227 A HA -0.148 4.183 4.320 0.019 0.000 0.216 1227 A C 2.123 179.673 177.584 -0.057 0.000 1.186 1227 A CA 1.717 53.684 52.037 -0.118 0.000 0.620 1227 A CB -0.455 18.518 19.000 -0.045 0.000 0.822 1227 A HN 0.485 nan 8.150 nan 0.000 0.443 1228 K N -0.385 119.990 120.400 -0.041 0.000 2.074 1228 K HA -0.168 4.164 4.320 0.019 0.000 0.209 1228 K C 2.284 178.867 176.600 -0.028 0.000 1.048 1228 K CA 1.370 57.644 56.287 -0.023 0.000 0.926 1228 K CB -0.361 32.123 32.500 -0.026 0.000 0.713 1228 K HN 0.465 nan 8.250 nan 0.000 0.444 1229 A N 1.485 124.275 122.820 -0.050 0.000 1.929 1229 A HA -0.099 4.232 4.320 0.019 0.000 0.216 1229 A C 2.126 179.681 177.584 -0.048 0.000 1.176 1229 A CA 0.825 52.830 52.037 -0.052 0.000 0.628 1229 A CB -0.476 18.479 19.000 -0.076 0.000 0.816 1229 A HN 0.291 nan 8.150 nan 0.000 0.444 1230 L N -0.510 120.676 121.223 -0.063 0.000 2.046 1230 L HA -0.157 4.195 4.340 0.019 0.000 0.208 1230 L C 2.732 179.593 176.870 -0.014 0.000 1.077 1230 L CA 1.602 56.403 54.840 -0.064 0.000 0.747 1230 L CB -0.325 41.641 42.059 -0.155 0.000 0.896 1230 L HN 0.370 nan 8.230 nan 0.000 0.432 1231 A N -0.602 122.221 122.820 0.005 0.000 1.972 1231 A HA -0.257 4.075 4.320 0.019 0.000 0.219 1231 A C 2.487 180.089 177.584 0.029 0.000 1.169 1231 A CA 1.779 53.842 52.037 0.043 0.000 0.635 1231 A CB -1.002 18.028 19.000 0.050 0.000 0.810 1231 A HN 0.673 nan 8.150 nan 0.000 0.446 1232 S N -0.193 115.513 115.700 0.011 0.000 2.407 1232 S HA -0.173 4.308 4.470 0.019 0.000 0.235 1232 S C 1.769 176.378 174.600 0.016 0.000 1.036 1232 S CA 1.934 60.140 58.200 0.010 0.000 1.013 1232 S CB -0.768 62.431 63.200 -0.002 0.000 0.820 1232 S HN 0.329 nan 8.310 nan 0.000 0.476 1233 V N 0.304 120.229 119.914 0.019 0.000 2.346 1233 V HA 0.041 4.173 4.120 0.019 0.000 0.244 1233 V C 2.550 178.659 176.094 0.025 0.000 1.037 1233 V CA 1.915 64.229 62.300 0.022 0.000 1.029 1233 V CB -0.656 31.179 31.823 0.020 0.000 0.663 1233 V HN 0.591 nan 8.190 nan 0.000 0.454 1234 S N -2.214 113.506 115.700 0.033 0.000 2.631 1234 S HA 0.424 4.905 4.470 0.019 0.000 0.246 1234 S C 1.252 175.879 174.600 0.044 0.000 1.068 1234 S CA 0.671 58.892 58.200 0.036 0.000 0.995 1234 S CB 1.355 64.579 63.200 0.040 0.000 0.944 1234 S HN 0.849 nan 8.310 nan 0.000 0.529 1235 G N 1.900 110.731 108.800 0.052 0.000 2.148 1235 G HA2 -0.203 3.769 3.960 0.019 0.000 0.203 1235 G HA3 -0.203 3.769 3.960 0.019 0.000 0.203 1235 G C 0.026 174.975 174.900 0.081 0.000 0.993 1235 G CA 0.032 45.166 45.100 0.057 0.000 0.661 1235 G HN 0.411 nan 8.290 nan 0.000 0.518 1236 T N 1.431 116.051 114.554 0.110 0.000 2.817 1236 T HA 0.389 4.750 4.350 0.019 0.000 0.295 1236 T C 0.261 175.098 174.700 0.229 0.000 0.958 1236 T CA 0.559 62.761 62.100 0.171 0.000 1.157 1236 T CB 1.168 70.175 68.868 0.232 0.000 0.898 1236 T HN 0.401 nan 8.240 nan 0.000 0.536 1237 E N 2.223 122.533 120.200 0.184 0.000 2.146 1237 E HA 0.323 4.684 4.350 0.019 0.000 0.282 1237 E C -1.055 175.662 176.600 0.195 0.000 0.989 1237 E CA -0.485 56.022 56.400 0.177 0.000 0.799 1237 E CB 0.757 30.511 29.700 0.091 0.000 1.088 1237 E HN 0.520 nan 8.360 nan 0.000 0.397 1238 Y N 1.602 121.929 120.300 0.045 0.000 2.377 1238 Y HA 0.196 4.757 4.550 0.019 0.000 0.339 1238 Y C 0.398 176.307 175.900 0.017 0.000 1.011 1238 Y CA -0.704 57.420 58.100 0.039 0.000 1.093 1238 Y CB 1.462 39.945 38.460 0.038 0.000 1.201 1238 Y HN 0.371 nan 8.280 nan 0.000 0.455 1239 Q N 1.828 121.684 119.800 0.094 0.000 2.299 1239 Q HA 0.507 4.859 4.340 0.019 0.000 0.246 1239 Q C -1.075 174.967 176.000 0.071 0.000 0.935 1239 Q CA -0.452 55.387 55.803 0.061 0.000 0.887 1239 Q CB 1.755 30.503 28.738 0.016 0.000 1.223 1239 Q HN 0.426 nan 8.270 nan 0.000 0.439 1240 V N 0.647 120.591 119.914 0.050 0.000 2.769 1240 V HA 0.893 5.025 4.120 0.019 0.000 0.312 1240 V C 0.215 176.313 176.094 0.006 0.000 1.061 1240 V CA -0.228 62.099 62.300 0.045 0.000 0.931 1240 V CB 1.881 33.754 31.823 0.083 0.000 1.010 1240 V HN 1.007 nan 8.190 nan 0.000 0.433 1241 G N 4.218 112.954 108.800 -0.106 0.000 2.337 1241 G HA2 0.380 4.351 3.960 0.019 0.000 0.298 1241 G HA3 0.380 4.351 3.960 0.019 0.000 0.298 1241 G C -3.575 170.806 174.900 -0.864 0.000 1.335 1241 G CA -0.772 44.151 45.100 -0.295 0.000 0.875 1241 G HN 0.517 nan 8.290 nan 0.000 0.579 1242 P HA 0.297 nan 4.420 nan 0.000 0.272 1242 P C 0.919 177.992 177.300 -0.378 0.000 1.230 1242 P CA 0.085 62.770 63.100 -0.692 0.000 0.788 1242 P CB 0.717 32.239 31.700 -0.297 0.000 0.949 1243 T N 0.553 114.931 114.554 -0.293 0.000 2.701 1243 T HA -0.153 4.208 4.350 0.019 0.000 0.263 1243 T C 1.637 176.271 174.700 -0.109 0.000 1.040 1243 T CA 2.015 64.011 62.100 -0.173 0.000 1.147 1243 T CB -1.032 67.750 68.868 -0.143 0.000 0.865 1243 T HN 0.641 nan 8.240 nan 0.000 0.426 1244 C N 2.312 121.549 119.300 -0.105 0.000 2.411 1244 C HA -0.074 4.398 4.460 0.019 0.000 0.279 1244 C C 2.845 177.820 174.990 -0.025 0.000 1.288 1244 C CA 1.131 60.107 59.018 -0.070 0.000 1.764 1244 C CB -1.835 25.866 27.740 -0.065 0.000 1.974 1244 C HN 0.685 nan 8.230 nan 0.000 0.498 1245 T N -1.609 112.929 114.554 -0.027 0.000 2.953 1245 T HA -0.016 4.345 4.350 0.019 0.000 0.247 1245 T C 1.673 176.387 174.700 0.024 0.000 1.029 1245 T CA 1.705 63.817 62.100 0.020 0.000 1.144 1245 T CB -1.150 67.732 68.868 0.024 0.000 0.870 1245 T HN 0.490 nan 8.240 nan 0.000 0.446 1246 T N 1.885 116.424 114.554 -0.025 0.000 2.720 1246 T HA -0.009 4.353 4.350 0.019 0.000 0.268 1246 T C 1.822 176.526 174.700 0.007 0.000 1.037 1246 T CA 1.365 63.452 62.100 -0.021 0.000 1.144 1246 T CB -0.366 68.458 68.868 -0.073 0.000 0.864 1246 T HN 0.241 nan 8.240 nan 0.000 0.444 1247 V N -0.846 119.081 119.914 0.023 0.000 3.903 1247 V HA 0.398 4.529 4.120 0.019 0.000 0.195 1247 V C -0.100 176.105 176.094 0.185 0.000 1.139 1247 V CA 0.019 62.373 62.300 0.089 0.000 1.431 1247 V CB 0.019 31.919 31.823 0.128 0.000 1.678 1247 V HN 0.628 nan 8.190 nan 0.000 0.469 1248 Y N -0.813 119.448 120.300 -0.066 0.000 2.565 1248 Y HA 0.629 5.186 4.550 0.012 0.000 0.330 1248 Y C -3.140 172.729 175.900 -0.051 0.000 1.150 1248 Y CA -2.471 55.588 58.100 -0.069 0.000 1.055 1248 Y CB 1.153 39.563 38.460 -0.085 0.000 1.337 1248 Y HN 0.200 nan 8.280 nan 0.000 0.457 1249 P HA 0.126 nan 4.420 nan 0.000 0.255 1249 P C -0.696 176.323 177.300 -0.469 0.000 1.173 1249 P CA 0.974 63.928 63.100 -0.244 0.000 0.780 1249 P CB 0.393 32.018 31.700 -0.125 0.000 0.758 1250 A N 3.170 125.782 122.820 -0.346 0.000 2.375 1250 A HA 0.553 4.884 4.320 0.019 0.000 0.295 1250 A C 0.255 177.796 177.584 -0.072 0.000 1.066 1250 A CA -0.516 51.329 52.037 -0.321 0.000 0.722 1250 A CB 1.159 19.931 19.000 -0.380 0.000 1.206 1250 A HN 0.497 nan 8.150 nan 0.000 0.435 1251 S N 1.485 117.169 115.700 -0.026 0.000 2.632 1251 S HA 0.606 5.087 4.470 0.019 0.000 0.271 1251 S C 0.976 175.641 174.600 0.108 0.000 1.260 1251 S CA 0.353 58.593 58.200 0.067 0.000 1.010 1251 S CB 1.118 64.300 63.200 -0.030 0.000 0.965 1251 S HN 2.602 nan 8.310 nan 0.000 0.534 1252 G N 1.063 109.972 108.800 0.183 0.000 2.273 1252 G HA2 -0.231 3.741 3.960 0.019 0.000 0.280 1252 G HA3 -0.231 3.741 3.960 0.019 0.000 0.280 1252 G C 0.154 175.243 174.900 0.315 0.000 1.047 1252 G CA 0.306 45.576 45.100 0.283 0.000 0.869 1252 G HN 1.694 nan 8.290 nan 0.000 0.502 1253 S N -0.944 114.855 115.700 0.166 0.000 2.632 1253 S HA 0.707 5.188 4.470 0.019 0.000 0.271 1253 S C 1.830 176.159 174.600 -0.451 0.000 1.260 1253 S CA 0.637 58.824 58.200 -0.022 0.000 1.010 1253 S CB 1.760 64.952 63.200 -0.014 0.000 0.965 1253 S HN 1.527 nan 8.310 nan 0.000 0.534 1254 S N 2.136 117.276 115.700 -0.934 0.000 2.359 1254 S HA -0.249 4.232 4.470 0.019 0.000 0.223 1254 S C 1.909 175.918 174.600 -0.986 0.000 1.039 1254 S CA 1.555 58.750 58.200 -1.675 0.000 1.042 1254 S CB -1.373 61.260 63.200 -0.944 0.000 0.915 1254 S HN 0.988 nan 8.310 nan 0.000 0.439 1255 I N 0.206 120.486 120.570 -0.483 0.000 2.439 1255 I HA 0.009 4.190 4.170 0.019 0.000 0.251 1255 I C 1.675 177.685 176.117 -0.180 0.000 1.139 1255 I CA 1.584 62.690 61.300 -0.323 0.000 1.438 1255 I CB -0.533 37.425 38.000 -0.070 0.000 1.085 1255 I HN -0.012 nan 8.210 nan 0.000 0.427 1256 D N 0.683 121.045 120.400 -0.063 0.000 2.097 1256 D HA -0.192 4.459 4.640 0.019 0.000 0.197 1256 D C 1.667 178.087 176.300 0.199 0.000 0.984 1256 D CA 1.415 55.508 54.000 0.155 0.000 0.826 1256 D CB -0.454 40.508 40.800 0.269 0.000 0.973 1256 D HN 0.630 nan 8.370 nan 0.000 0.460 1257 W N 1.959 123.213 121.300 -0.077 0.000 2.321 1257 W HA -0.239 4.431 4.660 0.017 0.000 0.306 1257 W C 2.292 178.727 176.519 -0.140 0.000 1.217 1257 W CA 2.600 59.911 57.345 -0.056 0.000 1.257 1257 W CB -0.225 29.235 29.460 0.001 0.000 1.145 1257 W HN -0.030 nan 8.180 nan 0.000 0.509 1258 A N -0.741 121.998 122.820 -0.136 0.000 1.877 1258 A HA -0.255 4.076 4.320 0.019 0.000 0.216 1258 A C 1.850 179.305 177.584 -0.215 0.000 1.186 1258 A CA 1.712 53.565 52.037 -0.307 0.000 0.620 1258 A CB -1.621 17.046 19.000 -0.555 0.000 0.822 1258 A HN 0.547 nan 8.150 nan 0.000 0.443 1259 Y N 0.963 121.125 120.300 -0.230 0.000 2.181 1259 Y HA -0.186 4.375 4.550 0.018 0.000 0.288 1259 Y C 1.718 177.529 175.900 -0.148 0.000 1.146 1259 Y CA 1.991 59.980 58.100 -0.185 0.000 1.164 1259 Y CB -0.202 38.143 38.460 -0.192 0.000 0.982 1259 Y HN 0.334 nan 8.280 nan 0.000 0.515 1260 D N -0.446 119.915 120.400 -0.065 0.000 2.310 1260 D HA -0.115 4.537 4.640 0.019 0.000 0.212 1260 D C 0.818 176.926 176.300 -0.320 0.000 0.965 1260 D CA 0.955 54.877 54.000 -0.129 0.000 0.879 1260 D CB -0.318 40.471 40.800 -0.018 0.000 0.921 1260 D HN 0.389 nan 8.370 nan 0.000 0.510 1261 N N -0.978 117.434 118.700 -0.480 0.000 2.251 1261 N HA 0.263 5.015 4.740 0.019 0.000 0.217 1261 N C 0.794 176.116 175.510 -0.314 0.000 1.124 1261 N CA 0.399 53.138 53.050 -0.519 0.000 0.843 1261 N CB 1.165 39.051 38.487 -1.001 0.000 1.024 1261 N HN 0.066 nan 8.380 nan 0.000 0.501 1262 G N 0.372 109.000 108.800 -0.287 0.000 2.141 1262 G HA2 -0.247 3.724 3.960 0.019 0.000 0.242 1262 G HA3 -0.247 3.724 3.960 0.019 0.000 0.242 1262 G C -0.078 174.789 174.900 -0.055 0.000 0.982 1262 G CA -0.385 44.602 45.100 -0.188 0.000 0.662 1262 G HN 0.296 nan 8.290 nan 0.000 0.527 1263 I N 1.109 121.638 120.570 -0.069 0.000 2.282 1263 I HA 0.222 4.404 4.170 0.019 0.000 0.290 1263 I C 1.587 177.703 176.117 -0.003 0.000 1.090 1263 I CA -0.440 60.925 61.300 0.108 0.000 1.231 1263 I CB 1.159 39.281 38.000 0.202 0.000 1.434 1263 I HN 0.091 nan 8.210 nan 0.000 0.487 1264 K N 4.785 125.084 120.400 -0.169 0.000 2.009 1264 K HA -0.109 4.223 4.320 0.019 0.000 0.210 1264 K C 0.246 176.669 176.600 -0.294 0.000 1.049 1264 K CA 1.615 57.616 56.287 -0.476 0.000 0.929 1264 K CB 0.096 31.890 32.500 -1.177 0.000 0.714 1264 K HN 0.357 nan 8.250 nan 0.000 0.440 1265 F N 0.985 121.044 119.950 0.182 0.000 2.541 1265 F HA 0.309 4.847 4.527 0.019 0.000 0.351 1265 F C -0.038 175.719 175.800 -0.073 0.000 1.209 1265 F CA -0.861 57.159 58.000 0.032 0.000 1.277 1265 F CB 0.407 39.629 39.000 0.371 0.000 1.632 1265 F HN -0.076 nan 8.300 nan 0.000 0.619 1266 A N 3.199 125.876 122.820 -0.238 0.000 2.249 1266 A HA 0.771 5.102 4.320 0.019 0.000 0.314 1266 A C -1.043 176.319 177.584 -0.369 0.000 1.290 1266 A CA -0.311 51.666 52.037 -0.099 0.000 0.893 1266 A CB 0.064 19.037 19.000 -0.046 0.000 1.165 1266 A HN 0.471 nan 8.150 nan 0.000 0.530 1267 F N 0.896 121.033 119.950 0.311 0.000 2.547 1267 F HA 0.398 4.936 4.527 0.019 0.000 0.316 1267 F C 0.442 176.403 175.800 0.269 0.000 1.121 1267 F CA -0.419 57.722 58.000 0.236 0.000 0.911 1267 F CB 2.819 41.951 39.000 0.221 0.000 1.179 1267 F HN 0.388 nan 8.300 nan 0.000 0.443 1268 T N 3.797 118.558 114.554 0.346 0.000 2.733 1268 T HA 0.373 4.734 4.350 0.019 0.000 0.294 1268 T C -0.659 174.194 174.700 0.256 0.000 0.956 1268 T CA -0.219 62.069 62.100 0.312 0.000 0.987 1268 T CB 0.041 69.001 68.868 0.153 0.000 0.920 1268 T HN 0.210 nan 8.240 nan 0.000 0.470 1269 F N 2.708 122.853 119.950 0.325 0.000 2.404 1269 F HA 0.296 4.834 4.527 0.018 0.000 0.345 1269 F C 1.093 177.100 175.800 0.345 0.000 1.110 1269 F CA -0.498 57.694 58.000 0.321 0.000 1.130 1269 F CB 1.017 40.187 39.000 0.283 0.000 1.129 1269 F HN 0.381 nan 8.300 nan 0.000 0.500 1270 E N 5.937 126.428 120.200 0.486 0.000 2.145 1270 E HA 0.322 4.684 4.350 0.019 0.000 0.262 1270 E C -0.557 176.269 176.600 0.376 0.000 0.883 1270 E CA -0.327 56.292 56.400 0.365 0.000 0.748 1270 E CB 1.909 31.711 29.700 0.169 0.000 1.140 1270 E HN 0.534 nan 8.360 nan 0.000 0.417 1271 L N 1.368 122.830 121.223 0.399 0.000 2.642 1271 L HA 0.427 4.778 4.340 0.019 0.000 0.229 1271 L C 1.174 178.193 176.870 0.249 0.000 1.179 1271 L CA -0.950 54.127 54.840 0.395 0.000 0.834 1271 L CB 0.266 42.539 42.059 0.357 0.000 1.515 1271 L HN 0.242 nan 8.230 nan 0.000 0.512 1272 R N 0.772 121.409 120.500 0.229 0.000 2.678 1272 R HA -0.046 4.305 4.340 0.019 0.000 0.264 1272 R C -0.765 175.649 176.300 0.189 0.000 0.995 1272 R CA 0.121 56.321 56.100 0.166 0.000 1.098 1272 R CB -0.031 30.361 30.300 0.153 0.000 0.949 1272 R HN 0.656 nan 8.270 nan 0.000 0.422 1273 D N -0.252 120.231 120.400 0.138 0.000 2.482 1273 D HA 0.039 4.691 4.640 0.019 0.000 0.223 1273 D C 0.890 177.276 176.300 0.143 0.000 1.262 1273 D CA -0.166 53.896 54.000 0.103 0.000 1.125 1273 D CB -0.359 40.493 40.800 0.086 0.000 1.196 1273 D HN 0.458 nan 8.370 nan 0.000 0.594 1274 T N -5.513 109.099 114.554 0.097 0.000 3.054 1274 T HA 0.519 4.881 4.350 0.019 0.000 0.255 1274 T C 1.230 176.037 174.700 0.178 0.000 1.035 1274 T CA 0.414 62.599 62.100 0.142 0.000 0.941 1274 T CB 0.161 69.060 68.868 0.052 0.000 1.026 1274 T HN 0.886 nan 8.240 nan 0.000 0.533 1275 G N 0.274 109.073 108.800 -0.000 0.000 2.902 1275 G HA2 -0.154 3.818 3.960 0.019 0.000 0.215 1275 G HA3 -0.154 3.818 3.960 0.019 0.000 0.215 1275 G C 0.909 175.701 174.900 -0.181 0.000 0.976 1275 G CA 0.260 45.298 45.100 -0.103 0.000 0.794 1275 G HN 0.363 nan 8.290 nan 0.000 0.557 1276 T N 0.121 114.565 114.554 -0.184 0.000 2.746 1276 T HA -0.032 4.329 4.350 0.019 0.000 0.267 1276 T C 1.705 176.123 174.700 -0.470 0.000 1.039 1276 T CA 2.012 63.915 62.100 -0.330 0.000 1.142 1276 T CB -0.162 68.488 68.868 -0.364 0.000 0.866 1276 T HN 0.443 nan 8.240 nan 0.000 0.444 1277 Y N -0.192 120.026 120.300 -0.137 0.000 2.423 1277 Y HA 0.415 4.976 4.550 0.018 0.000 0.257 1277 Y C 1.869 177.651 175.900 -0.198 0.000 1.087 1277 Y CA -0.244 57.789 58.100 -0.111 0.000 1.258 1277 Y CB -0.021 38.398 38.460 -0.069 0.000 1.237 1277 Y HN 0.354 nan 8.280 nan 0.000 0.517 1278 G N 1.315 109.867 108.800 -0.413 0.000 2.622 1278 G HA2 -0.407 3.564 3.960 0.019 0.000 0.307 1278 G HA3 -0.407 3.564 3.960 0.019 0.000 0.307 1278 G C 0.788 175.235 174.900 -0.755 0.000 1.226 1278 G CA 0.883 45.241 45.100 -1.236 0.000 0.997 1278 G HN 0.181 nan 8.290 nan 0.000 0.551 1279 F N 0.366 119.982 119.950 -0.557 0.000 2.269 1279 F HA 0.189 4.727 4.527 0.019 0.000 0.301 1279 F C 2.354 177.953 175.800 -0.334 0.000 1.082 1279 F CA 0.856 58.618 58.000 -0.396 0.000 1.360 1279 F CB -0.246 38.358 39.000 -0.660 0.000 1.041 1279 F HN 0.103 nan 8.300 nan 0.000 0.512 1280 L N 1.639 122.793 121.223 -0.116 0.000 2.939 1280 L HA 0.095 4.446 4.340 0.019 0.000 0.239 1280 L C 0.025 176.873 176.870 -0.037 0.000 1.325 1280 L CA -0.198 54.576 54.840 -0.110 0.000 1.170 1280 L CB -1.204 40.847 42.059 -0.013 0.000 1.538 1280 L HN 0.067 nan 8.230 nan 0.000 0.452 1281 L N 2.607 123.831 121.223 0.003 0.000 2.559 1281 L HA 0.139 4.491 4.340 0.019 0.000 0.274 1281 L C -1.792 175.099 176.870 0.035 0.000 1.205 1281 L CA -0.777 54.080 54.840 0.028 0.000 0.907 1281 L CB 0.160 42.303 42.059 0.140 0.000 1.153 1281 L HN 0.035 nan 8.230 nan 0.000 0.490 1282 P HA -0.020 nan 4.420 nan 0.000 0.265 1282 P C 0.082 177.390 177.300 0.014 0.000 1.187 1282 P CA 0.336 63.337 63.100 -0.165 0.000 0.766 1282 P CB 0.643 32.101 31.700 -0.403 0.000 0.820 1283 A N 4.008 126.864 122.820 0.059 0.000 1.986 1283 A HA -0.269 4.063 4.320 0.019 0.000 0.220 1283 A C 1.691 179.166 177.584 -0.181 0.000 1.171 1283 A CA 2.296 54.230 52.037 -0.173 0.000 0.640 1283 A CB -1.516 17.403 19.000 -0.135 0.000 0.811 1283 A HN 0.752 nan 8.150 nan 0.000 0.451 1284 N N -0.570 118.061 118.700 -0.114 0.000 2.520 1284 N HA -0.129 4.623 4.740 0.019 0.000 0.185 1284 N C 1.294 176.753 175.510 -0.085 0.000 1.068 1284 N CA 1.326 54.320 53.050 -0.094 0.000 0.911 1284 N CB -0.421 38.023 38.487 -0.072 0.000 0.961 1284 N HN 0.663 nan 8.380 nan 0.000 0.446 1285 Q N -0.469 119.279 119.800 -0.087 0.000 2.319 1285 Q HA 0.284 4.636 4.340 0.019 0.000 0.202 1285 Q C 1.247 177.202 176.000 -0.075 0.000 0.896 1285 Q CA -0.120 55.647 55.803 -0.059 0.000 0.942 1285 Q CB 0.203 28.927 28.738 -0.024 0.000 1.083 1285 Q HN 0.503 nan 8.270 nan 0.000 0.510 1286 I N 0.241 120.734 120.570 -0.128 0.000 2.163 1286 I HA -0.291 3.891 4.170 0.019 0.000 0.240 1286 I C 2.050 178.031 176.117 -0.228 0.000 1.081 1286 I CA 1.337 62.545 61.300 -0.153 0.000 1.353 1286 I CB -0.109 37.754 38.000 -0.228 0.000 1.054 1286 I HN 0.210 nan 8.210 nan 0.000 0.407 1287 I N 0.563 120.992 120.570 -0.234 0.000 2.226 1287 I HA -0.177 4.005 4.170 0.019 0.000 0.245 1287 I C -0.444 175.456 176.117 -0.361 0.000 1.100 1287 I CA 1.492 62.575 61.300 -0.363 0.000 1.374 1287 I CB -1.474 36.431 38.000 -0.158 0.000 1.057 1287 I HN 0.152 nan 8.210 nan 0.000 0.413 1288 P HA -0.143 nan 4.420 nan 0.000 0.215 1288 P C 1.634 178.848 177.300 -0.144 0.000 1.157 1288 P CA 1.659 64.677 63.100 -0.137 0.000 0.868 1288 P CB -0.144 31.519 31.700 -0.062 0.000 0.788 1289 T N -0.566 113.914 114.554 -0.123 0.000 2.708 1289 T HA -0.139 4.222 4.350 0.019 0.000 0.266 1289 T C 1.911 176.502 174.700 -0.181 0.000 1.037 1289 T CA 1.699 63.759 62.100 -0.067 0.000 1.146 1289 T CB -1.011 67.864 68.868 0.011 0.000 0.865 1289 T HN 0.049 nan 8.240 nan 0.000 0.435 1290 A N 1.827 124.412 122.820 -0.392 0.000 1.877 1290 A HA -0.150 4.181 4.320 0.019 0.000 0.216 1290 A C 2.258 179.339 177.584 -0.839 0.000 1.186 1290 A CA 1.519 53.135 52.037 -0.702 0.000 0.620 1290 A CB -0.532 17.680 19.000 -1.313 0.000 0.822 1290 A HN 0.528 nan 8.150 nan 0.000 0.443 1291 E N -0.260 119.438 120.200 -0.836 0.000 2.150 1291 E HA -0.219 4.142 4.350 0.019 0.000 0.193 1291 E C 2.082 178.654 176.600 -0.047 0.000 0.985 1291 E CA 1.369 57.530 56.400 -0.399 0.000 0.814 1291 E CB -0.208 29.363 29.700 -0.215 0.000 0.752 1291 E HN 0.968 nan 8.360 nan 0.000 0.466 1292 E N 0.544 120.694 120.200 -0.084 0.000 2.076 1292 E HA -0.085 4.277 4.350 0.019 0.000 0.190 1292 E C 1.884 178.466 176.600 -0.030 0.000 0.979 1292 E CA 1.133 57.521 56.400 -0.020 0.000 0.807 1292 E CB -0.298 29.400 29.700 -0.004 0.000 0.761 1292 E HN -0.099 nan 8.360 nan 0.000 0.454 1293 T N 0.734 115.250 114.554 -0.063 0.000 2.833 1293 T HA -0.171 4.190 4.350 0.019 0.000 0.269 1293 T C 1.056 175.717 174.700 -0.065 0.000 1.054 1293 T CA 1.252 63.259 62.100 -0.155 0.000 1.135 1293 T CB -0.488 68.263 68.868 -0.194 0.000 0.869 1293 T HN 0.423 nan 8.240 nan 0.000 0.466 1294 W N 1.311 122.544 121.300 -0.111 0.000 2.342 1294 W HA -0.112 4.559 4.660 0.018 0.000 0.297 1294 W C 1.456 177.961 176.519 -0.023 0.000 1.213 1294 W CA 0.747 58.097 57.345 0.008 0.000 1.251 1294 W CB -0.227 29.370 29.460 0.228 0.000 1.136 1294 W HN 0.251 nan 8.180 nan 0.000 0.526 1295 L N 0.316 121.462 121.223 -0.127 0.000 2.109 1295 L HA -0.072 4.280 4.340 0.019 0.000 0.207 1295 L C 2.803 179.547 176.870 -0.210 0.000 1.086 1295 L CA 1.307 56.007 54.840 -0.234 0.000 0.760 1295 L CB -1.554 40.444 42.059 -0.101 0.000 0.910 1295 L HN 0.043 nan 8.230 nan 0.000 0.437 1296 G N 0.443 109.165 108.800 -0.130 0.000 2.440 1296 G HA2 -0.226 3.745 3.960 0.019 0.000 0.218 1296 G HA3 -0.226 3.745 3.960 0.019 0.000 0.218 1296 G C 1.629 176.498 174.900 -0.053 0.000 1.154 1296 G CA 0.551 45.636 45.100 -0.024 0.000 0.767 1296 G HN 0.218 nan 8.290 nan 0.000 0.552 1297 L N -0.385 120.728 121.223 -0.184 0.000 2.109 1297 L HA 0.026 4.378 4.340 0.019 0.000 0.207 1297 L C 2.867 179.553 176.870 -0.307 0.000 1.086 1297 L CA 1.142 55.876 54.840 -0.177 0.000 0.760 1297 L CB -0.319 41.675 42.059 -0.109 0.000 0.910 1297 L HN 0.179 nan 8.230 nan 0.000 0.437 1298 K N -0.408 119.647 120.400 -0.575 0.000 2.097 1298 K HA -0.137 4.195 4.320 0.019 0.000 0.206 1298 K C 2.048 178.467 176.600 -0.301 0.000 1.049 1298 K CA 1.718 57.655 56.287 -0.583 0.000 0.933 1298 K CB -0.005 32.043 32.500 -0.753 0.000 0.717 1298 K HN 0.244 nan 8.250 nan 0.000 0.442 1299 T N 1.218 115.627 114.554 -0.243 0.000 2.674 1299 T HA -0.132 4.229 4.350 0.019 0.000 0.265 1299 T C 1.810 176.429 174.700 -0.135 0.000 1.039 1299 T CA 1.428 63.429 62.100 -0.166 0.000 1.150 1299 T CB -0.208 68.567 68.868 -0.155 0.000 0.864 1299 T HN 0.120 nan 8.240 nan 0.000 0.427 1300 I N 0.913 121.397 120.570 -0.142 0.000 2.163 1300 I HA -0.186 3.996 4.170 0.019 0.000 0.243 1300 I C 2.504 178.601 176.117 -0.034 0.000 1.085 1300 I CA 1.462 62.695 61.300 -0.112 0.000 1.347 1300 I CB -0.344 37.607 38.000 -0.082 0.000 1.044 1300 I HN 0.228 nan 8.210 nan 0.000 0.408 1301 M N -0.603 118.975 119.600 -0.035 0.000 2.476 1301 M HA -0.136 4.356 4.480 0.019 0.000 0.262 1301 M C 1.852 178.130 176.300 -0.036 0.000 1.079 1301 M CA 1.305 56.602 55.300 -0.006 0.000 1.104 1301 M CB -0.291 32.294 32.600 -0.025 0.000 1.409 1301 M HN 0.250 nan 8.290 nan 0.000 0.467 1302 E N -0.965 119.196 120.200 -0.066 0.000 2.170 1302 E HA -0.155 4.206 4.350 0.019 0.000 0.191 1302 E C 1.685 178.251 176.600 -0.057 0.000 0.981 1302 E CA 0.636 56.999 56.400 -0.061 0.000 0.830 1302 E CB 0.027 29.683 29.700 -0.073 0.000 0.775 1302 E HN 0.507 nan 8.360 nan 0.000 0.470 1303 H N 0.283 119.256 119.070 -0.162 0.000 2.389 1303 H HA -0.064 4.503 4.556 0.019 0.000 0.299 1303 H C 1.903 177.063 175.328 -0.281 0.000 1.081 1303 H CA 1.323 57.235 56.048 -0.227 0.000 1.345 1303 H CB 0.134 29.707 29.762 -0.315 0.000 1.393 1303 H HN -0.078 nan 8.280 nan 0.000 0.520 1304 V N 0.635 120.428 119.914 -0.203 0.000 2.295 1304 V HA -0.241 3.890 4.120 0.019 0.000 0.246 1304 V C 2.594 178.705 176.094 0.028 0.000 1.049 1304 V CA 2.146 64.410 62.300 -0.059 0.000 1.024 1304 V CB -0.562 31.345 31.823 0.140 0.000 0.648 1304 V HN 0.413 nan 8.190 nan 0.000 0.447 1305 R N 0.142 120.637 120.500 -0.009 0.000 2.091 1305 R HA -0.191 4.161 4.340 0.019 0.000 0.238 1305 R C 1.772 178.057 176.300 -0.024 0.000 1.136 1305 R CA 2.035 58.133 56.100 -0.003 0.000 0.959 1305 R CB -0.249 30.043 30.300 -0.014 0.000 0.856 1305 R HN 0.507 nan 8.270 nan 0.000 0.437 1306 D N -0.395 119.955 120.400 -0.083 0.000 2.348 1306 D HA -0.000 4.651 4.640 0.019 0.000 0.211 1306 D C 0.099 176.338 176.300 -0.101 0.000 0.998 1306 D CA 0.639 54.580 54.000 -0.099 0.000 0.873 1306 D CB 0.140 40.858 40.800 -0.137 0.000 0.925 1306 D HN 0.221 nan 8.370 nan 0.000 0.524 1307 N N 0.728 119.376 118.700 -0.087 0.000 2.598 1307 N HA 0.150 4.901 4.740 0.019 0.000 0.309 1307 N C -0.429 175.240 175.510 0.266 0.000 1.645 1307 N CA -0.096 52.984 53.050 0.050 0.000 0.936 1307 N CB 1.442 39.926 38.487 -0.004 0.000 1.323 1307 N HN 0.074 nan 8.380 nan 0.000 0.497 1308 L N 1.893 123.213 121.223 0.161 0.000 2.410 1308 L HA 0.148 4.500 4.340 0.019 0.000 0.273 1308 L C 0.058 177.026 176.870 0.162 0.000 1.152 1308 L CA -0.058 54.860 54.840 0.131 0.000 0.855 1308 L CB -0.090 41.992 42.059 0.037 0.000 1.129 1308 L HN 0.285 nan 8.230 nan 0.000 0.463 1309 Y N 0.000 120.352 120.300 0.087 0.000 2.660 1309 Y HA 0.000 4.561 4.550 0.019 0.000 0.201 1309 Y CA 0.000 58.129 58.100 0.048 0.000 1.940 1309 Y CB 0.000 38.477 38.460 0.027 0.000 1.050 1309 Y HN 0.000 nan 8.280 nan 0.000 0.758