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 2pgw_1_H DATA FIRST_RESID 4 DATA SEQUENCE VKISNVRVRP LVLPLKQPYH WSYGIRESFA VNLIEIEADD GTVGIGECTV DATA SEQUENCE APDQTGTAAI LYRLAKHLVG HSPHDVAPLI ARIFHQEYLG HGANIXRAAN DATA SEQUENCE QIFSGIDXAX WDLQGKLAGL PVHQLLGGAH RKAVGYFYFL QGETAEELAR DATA SEQUENCE DAAVGHAQGE RVFYLKVGRG EKLDLEITAA VRGEIGDARL RLDANEGWSV DATA SEQUENCE HDAINXCRKL EKYDIEFIEQ PTVSWSIPAX AHVREKVGIP IVADQAAFTL DATA SEQUENCE YDVYEICRQR AADXICIGPR EIGGIQPXXK AAAVAEAAGL KICIHSSFTT DATA SEQUENCE GITTCAEHHI GLAIPNLDDG NQIXWQLVQE DIVSSPDLTP KNGWLDAFRK DATA SEQUENCE PGLGFQLAED LVAEGEGRYA AS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.098 176.094 0.006 0.000 1.182 4 V CA 0.000 62.308 62.300 0.014 0.000 1.235 4 V CB 0.000 31.834 31.823 0.018 0.000 1.184 5 K N 5.733 126.126 120.400 -0.012 0.000 2.435 5 K HA 0.657 4.978 4.320 0.001 0.000 0.251 5 K C -0.963 175.619 176.600 -0.031 0.000 0.954 5 K CA -0.886 55.388 56.287 -0.022 0.000 0.820 5 K CB 2.788 35.267 32.500 -0.035 0.000 1.292 5 K HN 0.644 nan 8.250 nan 0.000 0.436 6 I N 2.302 122.854 120.570 -0.029 0.000 2.533 6 I HA -0.102 4.069 4.170 0.001 0.000 0.284 6 I C 1.351 177.452 176.117 -0.028 0.000 1.109 6 I CA 0.360 61.645 61.300 -0.026 0.000 1.412 6 I CB 0.923 38.919 38.000 -0.007 0.000 1.396 6 I HN 0.802 nan 8.210 nan 0.000 0.543 7 S N 4.697 120.385 115.700 -0.021 0.000 2.468 7 S HA 0.214 4.685 4.470 0.001 0.000 0.226 7 S C 0.584 175.180 174.600 -0.007 0.000 1.051 7 S CA -0.111 58.078 58.200 -0.018 0.000 0.943 7 S CB 0.237 63.428 63.200 -0.015 0.000 0.810 7 S HN 0.688 nan 8.310 nan 0.000 0.509 8 N N 0.416 119.118 118.700 0.003 0.000 2.494 8 N HA 0.548 5.289 4.740 0.001 0.000 0.270 8 N C -1.769 173.763 175.510 0.036 0.000 1.285 8 N CA -0.435 52.628 53.050 0.022 0.000 0.812 8 N CB 2.561 41.064 38.487 0.028 0.000 1.557 8 N HN 0.281 nan 8.380 nan 0.000 0.487 9 V N -1.492 118.462 119.914 0.067 0.000 2.760 9 V HA 0.762 4.882 4.120 0.001 0.000 0.309 9 V C -0.949 175.246 176.094 0.168 0.000 1.077 9 V CA -0.860 61.496 62.300 0.094 0.000 0.910 9 V CB 2.211 34.076 31.823 0.070 0.000 1.008 9 V HN 0.649 nan 8.190 nan 0.000 0.424 10 R N 2.770 123.353 120.500 0.138 0.000 2.621 10 R HA 0.839 5.180 4.340 0.001 0.000 0.284 10 R C -1.764 174.590 176.300 0.088 0.000 0.998 10 R CA -0.836 55.332 56.100 0.113 0.000 0.895 10 R CB 2.648 32.978 30.300 0.051 0.000 1.195 10 R HN 0.591 nan 8.270 nan 0.000 0.450 11 V N 3.064 123.002 119.914 0.040 0.000 2.417 11 V HA 0.462 4.582 4.120 0.001 0.000 0.291 11 V C -0.201 175.851 176.094 -0.070 0.000 1.024 11 V CA -0.804 61.499 62.300 0.005 0.000 0.861 11 V CB 1.619 33.458 31.823 0.027 0.000 0.985 11 V HN 0.657 nan 8.190 nan 0.000 0.436 12 R N 4.986 125.444 120.500 -0.069 0.000 2.412 12 R HA 0.412 4.753 4.340 0.001 0.000 0.304 12 R C -2.927 173.276 176.300 -0.161 0.000 1.066 12 R CA -1.749 54.292 56.100 -0.098 0.000 0.923 12 R CB 1.723 31.995 30.300 -0.047 0.000 1.156 12 R HN 0.415 nan 8.270 nan 0.000 0.513 13 P HA 0.117 nan 4.420 nan 0.000 0.271 13 P C -0.705 176.397 177.300 -0.330 0.000 1.216 13 P CA 0.073 62.866 63.100 -0.511 0.000 0.771 13 P CB 0.775 31.708 31.700 -1.279 0.000 0.864 14 L N 2.466 123.590 121.223 -0.165 0.000 2.354 14 L HA 0.673 5.014 4.340 0.001 0.000 0.264 14 L C -0.664 176.233 176.870 0.045 0.000 1.008 14 L CA -1.235 53.593 54.840 -0.020 0.000 0.819 14 L CB 2.340 44.393 42.059 -0.009 0.000 1.339 14 L HN -0.004 nan 8.230 nan 0.000 0.420 15 V N 3.423 123.390 119.914 0.090 0.000 2.443 15 V HA 0.493 4.613 4.120 0.001 0.000 0.293 15 V C -0.463 175.666 176.094 0.058 0.000 1.021 15 V CA -0.306 62.049 62.300 0.092 0.000 0.848 15 V CB 2.007 33.899 31.823 0.114 0.000 0.998 15 V HN 0.476 nan 8.190 nan 0.000 0.424 16 L N 6.776 128.029 121.223 0.050 0.000 2.356 16 L HA 0.567 4.907 4.340 0.001 0.000 0.277 16 L C -2.684 174.164 176.870 -0.036 0.000 0.996 16 L CA -1.892 52.960 54.840 0.019 0.000 0.822 16 L CB 2.443 44.524 42.059 0.037 0.000 1.256 16 L HN 0.378 nan 8.230 nan 0.000 0.413 17 P HA 0.187 nan 4.420 nan 0.000 0.271 17 P C -0.682 176.517 177.300 -0.167 0.000 1.218 17 P CA -0.061 62.982 63.100 -0.094 0.000 0.780 17 P CB 0.659 32.325 31.700 -0.057 0.000 0.901 18 L N 2.597 123.681 121.223 -0.232 0.000 2.387 18 L HA 0.318 4.658 4.340 0.001 0.000 0.266 18 L C 1.726 178.495 176.870 -0.169 0.000 1.059 18 L CA -0.609 54.047 54.840 -0.306 0.000 0.801 18 L CB 0.649 42.449 42.059 -0.431 0.000 1.223 18 L HN 0.381 nan 8.230 nan 0.000 0.456 19 K N 0.231 120.541 120.400 -0.150 0.000 2.097 19 K HA -0.114 4.207 4.320 0.001 0.000 0.206 19 K C 0.040 176.604 176.600 -0.060 0.000 1.049 19 K CA 1.163 57.397 56.287 -0.089 0.000 0.933 19 K CB 0.084 32.533 32.500 -0.084 0.000 0.717 19 K HN 0.592 nan 8.250 nan 0.000 0.442 20 Q N -0.237 119.529 119.800 -0.055 0.000 2.435 20 Q HA 0.357 4.697 4.340 0.001 0.000 0.282 20 Q C -2.984 173.016 176.000 0.000 0.000 1.020 20 Q CA -2.293 53.500 55.803 -0.016 0.000 0.820 20 Q CB 1.586 30.329 28.738 0.007 0.000 1.436 20 Q HN -0.233 nan 8.270 nan 0.000 0.395 21 P HA -0.120 nan 4.420 nan 0.000 0.262 21 P C -1.475 175.871 177.300 0.078 0.000 1.182 21 P CA 0.460 63.561 63.100 0.001 0.000 0.761 21 P CB 0.113 31.782 31.700 -0.053 0.000 0.795 22 Y N 3.442 123.715 120.300 -0.046 0.000 2.353 22 Y HA 0.241 4.791 4.550 0.001 0.000 0.340 22 Y C 0.332 176.296 175.900 0.107 0.000 0.972 22 Y CA -0.554 57.580 58.100 0.057 0.000 1.157 22 Y CB 0.447 38.897 38.460 -0.018 0.000 1.157 22 Y HN 0.394 nan 8.280 nan 0.000 0.495 23 H N 6.112 125.104 119.070 -0.130 0.000 2.690 23 H HA 0.173 4.729 4.556 0.001 0.000 0.314 23 H C -0.423 174.990 175.328 0.142 0.000 1.069 23 H CA 0.130 56.196 56.048 0.030 0.000 1.436 23 H CB 0.298 30.017 29.762 -0.071 0.000 1.462 23 H HN 0.702 nan 8.280 nan 0.000 0.511 24 W N 1.138 122.489 121.300 0.085 0.000 3.060 24 W HA 0.348 5.009 4.660 0.001 0.000 0.346 24 W C 1.002 177.555 176.519 0.056 0.000 1.194 24 W CA -0.991 56.431 57.345 0.129 0.000 1.105 24 W CB 0.852 30.456 29.460 0.240 0.000 1.487 24 W HN 0.486 nan 8.180 nan 0.000 0.592 25 S N 0.257 115.950 115.700 -0.010 0.000 2.380 25 S HA -0.241 4.229 4.470 0.001 0.000 0.229 25 S C 0.266 174.242 174.600 -1.041 0.000 1.043 25 S CA 1.497 59.419 58.200 -0.463 0.000 1.038 25 S CB -0.662 62.342 63.200 -0.326 0.000 0.872 25 S HN 0.308 nan 8.310 nan 0.000 0.456 26 Y N 1.367 120.866 120.300 -1.334 0.000 2.915 26 Y HA 0.547 5.098 4.550 0.001 0.000 0.350 26 Y C 1.003 176.241 175.900 -1.103 0.000 1.061 26 Y CA -0.038 57.366 58.100 -1.159 0.000 1.179 26 Y CB 0.654 38.480 38.460 -1.057 0.000 1.180 26 Y HN 0.464 nan 8.280 nan 0.000 0.605 27 G N 1.149 109.620 108.800 -0.548 0.000 2.499 27 G HA2 -0.209 3.752 3.960 0.001 0.000 0.232 27 G HA3 -0.209 3.752 3.960 0.001 0.000 0.232 27 G C -0.936 173.926 174.900 -0.063 0.000 1.251 27 G CA -0.566 44.402 45.100 -0.220 0.000 0.917 27 G HN 0.205 nan 8.290 nan 0.000 0.580 28 I N 0.486 121.128 120.570 0.120 0.000 2.648 28 I HA 0.708 4.879 4.170 0.001 0.000 0.304 28 I C 0.613 176.929 176.117 0.331 0.000 1.009 28 I CA -0.785 60.598 61.300 0.138 0.000 1.114 28 I CB 1.651 39.591 38.000 -0.100 0.000 1.293 28 I HN 0.832 nan 8.210 nan 0.000 0.449 29 R N 3.266 123.899 120.500 0.222 0.000 2.439 29 R HA 0.438 4.779 4.340 0.001 0.000 0.310 29 R C -0.167 176.135 176.300 0.003 0.000 0.955 29 R CA -0.263 55.877 56.100 0.066 0.000 0.853 29 R CB 1.381 31.602 30.300 -0.132 0.000 1.171 29 R HN 0.701 nan 8.270 nan 0.000 0.449 30 E N 1.520 121.702 120.200 -0.030 0.000 2.526 30 E HA 0.099 4.449 4.350 0.001 0.000 0.208 30 E C -0.656 175.871 176.600 -0.121 0.000 0.997 30 E CA -0.021 56.340 56.400 -0.065 0.000 0.961 30 E CB 1.080 30.759 29.700 -0.034 0.000 1.030 30 E HN 0.659 nan 8.360 nan 0.000 0.483 31 S N -0.407 115.216 115.700 -0.128 0.000 2.565 31 S HA 0.555 5.026 4.470 0.001 0.000 0.269 31 S C -1.020 173.572 174.600 -0.014 0.000 1.153 31 S CA -0.937 57.185 58.200 -0.131 0.000 0.835 31 S CB 1.151 64.325 63.200 -0.043 0.000 1.122 31 S HN -0.081 nan 8.310 nan 0.000 0.462 32 F N 0.806 120.688 119.950 -0.113 0.000 2.483 32 F HA 0.886 5.414 4.527 0.001 0.000 0.329 32 F C 0.617 176.379 175.800 -0.063 0.000 1.064 32 F CA -1.131 56.797 58.000 -0.121 0.000 0.986 32 F CB 1.928 40.873 39.000 -0.091 0.000 1.218 32 F HN 1.059 nan 8.300 nan 0.000 0.484 33 A N 1.485 124.387 122.820 0.136 0.000 2.393 33 A HA 0.823 5.143 4.320 0.001 0.000 0.306 33 A C -1.303 176.293 177.584 0.021 0.000 1.050 33 A CA -0.609 51.469 52.037 0.068 0.000 0.724 33 A CB 1.509 20.543 19.000 0.057 0.000 1.248 33 A HN 0.848 nan 8.150 nan 0.000 0.424 34 V N -0.466 119.449 119.914 0.001 0.000 3.078 34 V HA 0.668 4.789 4.120 0.001 0.000 0.311 34 V C -0.774 175.285 176.094 -0.059 0.000 1.138 34 V CA -1.152 61.132 62.300 -0.026 0.000 1.007 34 V CB 1.985 33.798 31.823 -0.016 0.000 1.045 34 V HN 0.819 nan 8.190 nan 0.000 0.432 35 N N 2.292 120.958 118.700 -0.058 0.000 2.518 35 N HA 0.604 5.345 4.740 0.001 0.000 0.254 35 N C -0.844 174.643 175.510 -0.038 0.000 0.979 35 N CA -0.636 52.369 53.050 -0.076 0.000 0.930 35 N CB 1.512 39.959 38.487 -0.067 0.000 1.152 35 N HN 0.627 nan 8.380 nan 0.000 0.505 36 L N 2.274 123.474 121.223 -0.038 0.000 2.417 36 L HA 0.389 4.730 4.340 0.001 0.000 0.268 36 L C -0.141 176.739 176.870 0.017 0.000 1.158 36 L CA -0.331 54.507 54.840 -0.004 0.000 0.819 36 L CB 0.549 42.607 42.059 -0.001 0.000 1.112 36 L HN 0.475 nan 8.230 nan 0.000 0.458 37 I N 1.754 122.352 120.570 0.047 0.000 2.447 37 I HA 0.296 4.467 4.170 0.001 0.000 0.287 37 I C -0.766 175.395 176.117 0.074 0.000 1.023 37 I CA -0.043 61.297 61.300 0.066 0.000 1.083 37 I CB 1.651 39.697 38.000 0.077 0.000 1.245 37 I HN 0.533 nan 8.210 nan 0.000 0.434 38 E N 7.696 127.938 120.200 0.069 0.000 2.171 38 E HA 0.561 4.912 4.350 0.001 0.000 0.271 38 E C -1.091 175.541 176.600 0.053 0.000 0.916 38 E CA -0.577 55.859 56.400 0.061 0.000 0.774 38 E CB 2.299 32.030 29.700 0.052 0.000 1.128 38 E HN 0.518 nan 8.360 nan 0.000 0.403 39 I N 2.523 123.115 120.570 0.036 0.000 2.382 39 I HA 0.214 4.384 4.170 0.001 0.000 0.286 39 I C -0.193 175.924 176.117 -0.001 0.000 1.002 39 I CA -0.467 60.844 61.300 0.019 0.000 1.135 39 I CB 1.504 39.507 38.000 0.006 0.000 1.288 39 I HN 0.464 nan 8.210 nan 0.000 0.448 40 E N 5.474 125.674 120.200 0.001 0.000 2.175 40 E HA 0.675 5.026 4.350 0.001 0.000 0.278 40 E C -0.749 175.839 176.600 -0.020 0.000 0.969 40 E CA -0.608 55.786 56.400 -0.009 0.000 0.796 40 E CB 1.734 31.433 29.700 0.000 0.000 1.104 40 E HN 0.720 nan 8.360 nan 0.000 0.395 41 A N 3.220 126.021 122.820 -0.031 0.000 2.271 41 A HA 0.144 4.465 4.320 0.001 0.000 0.288 41 A C 0.522 178.092 177.584 -0.025 0.000 1.094 41 A CA -0.127 51.889 52.037 -0.035 0.000 0.828 41 A CB 0.440 19.411 19.000 -0.048 0.000 1.091 41 A HN 0.870 nan 8.150 nan 0.000 0.493 42 D N -0.090 120.296 120.400 -0.023 0.000 2.351 42 D HA -0.165 4.476 4.640 0.001 0.000 0.216 42 D C 0.628 176.919 176.300 -0.015 0.000 0.968 42 D CA 1.293 55.282 54.000 -0.018 0.000 0.899 42 D CB -0.057 40.732 40.800 -0.018 0.000 0.907 42 D HN 0.585 nan 8.370 nan 0.000 0.514 43 D N -1.070 119.320 120.400 -0.017 0.000 2.339 43 D HA 0.137 4.777 4.640 0.001 0.000 0.217 43 D C 1.674 177.965 176.300 -0.016 0.000 1.050 43 D CA 0.564 54.555 54.000 -0.014 0.000 0.856 43 D CB 0.031 40.823 40.800 -0.013 0.000 0.922 43 D HN 0.338 nan 8.370 nan 0.000 0.518 44 G N -0.101 108.689 108.800 -0.017 0.000 2.232 44 G HA2 -0.251 3.709 3.960 0.001 0.000 0.226 44 G HA3 -0.251 3.709 3.960 0.001 0.000 0.226 44 G C 0.493 175.381 174.900 -0.021 0.000 0.996 44 G CA 0.197 45.288 45.100 -0.016 0.000 0.626 44 G HN 0.444 nan 8.290 nan 0.000 0.509 45 T N 1.190 115.727 114.554 -0.028 0.000 2.930 45 T HA 0.470 4.820 4.350 0.001 0.000 0.306 45 T C 0.221 174.898 174.700 -0.039 0.000 1.045 45 T CA 0.539 62.617 62.100 -0.038 0.000 1.134 45 T CB 2.176 71.016 68.868 -0.046 0.000 0.961 45 T HN 0.713 nan 8.240 nan 0.000 0.545 46 V N 2.048 121.937 119.914 -0.042 0.000 2.588 46 V HA 0.689 4.810 4.120 0.001 0.000 0.304 46 V C 0.589 176.656 176.094 -0.045 0.000 1.042 46 V CA -1.037 61.243 62.300 -0.032 0.000 0.877 46 V CB 2.006 33.822 31.823 -0.011 0.000 0.996 46 V HN 1.041 nan 8.190 nan 0.000 0.425 47 G N 4.103 112.883 108.800 -0.033 0.000 2.356 47 G HA2 0.770 4.731 3.960 0.001 0.000 0.322 47 G HA3 0.770 4.731 3.960 0.001 0.000 0.322 47 G C -0.933 173.989 174.900 0.035 0.000 1.125 47 G CA -0.458 44.626 45.100 -0.027 0.000 0.885 47 G HN 0.602 nan 8.290 nan 0.000 0.467 48 I N 1.184 121.809 120.570 0.091 0.000 2.545 48 I HA 0.687 4.858 4.170 0.001 0.000 0.292 48 I C 0.531 176.812 176.117 0.275 0.000 1.040 48 I CA -0.638 60.782 61.300 0.201 0.000 1.068 48 I CB 2.506 40.699 38.000 0.321 0.000 1.251 48 I HN 0.684 nan 8.210 nan 0.000 0.424 49 G N 4.060 112.968 108.800 0.180 0.000 2.788 49 G HA2 0.795 4.756 3.960 0.001 0.000 0.293 49 G HA3 0.795 4.756 3.960 0.001 0.000 0.293 49 G C -1.843 173.106 174.900 0.082 0.000 1.392 49 G CA -0.452 44.738 45.100 0.149 0.000 0.810 49 G HN 0.677 nan 8.290 nan 0.000 0.508 50 E N -2.085 118.147 120.200 0.053 0.000 2.412 50 E HA 0.610 4.961 4.350 0.001 0.000 0.279 50 E C -1.612 174.996 176.600 0.013 0.000 0.984 50 E CA -0.878 55.533 56.400 0.018 0.000 0.788 50 E CB 1.671 31.363 29.700 -0.013 0.000 1.277 50 E HN 0.519 nan 8.360 nan 0.000 0.455 51 C N 1.200 120.500 119.300 -0.000 0.000 2.707 51 C HA 0.691 5.152 4.460 0.001 0.000 0.313 51 C C 0.286 175.263 174.990 -0.021 0.000 1.209 51 C CA -0.340 58.675 59.018 -0.004 0.000 1.635 51 C CB 1.542 29.284 27.740 0.003 0.000 2.206 51 C HN 0.854 nan 8.230 nan 0.000 0.485 52 T N -0.526 114.013 114.554 -0.024 0.000 2.828 52 T HA 0.384 4.735 4.350 0.001 0.000 0.290 52 T C 0.699 175.393 174.700 -0.010 0.000 1.019 52 T CA -0.097 61.984 62.100 -0.033 0.000 1.031 52 T CB 0.812 69.658 68.868 -0.037 0.000 1.001 52 T HN 1.048 nan 8.240 nan 0.000 0.531 53 V N -2.804 117.106 119.914 -0.006 0.000 3.556 53 V HA 0.627 4.748 4.120 0.001 0.000 0.287 53 V C 1.066 177.176 176.094 0.027 0.000 1.422 53 V CA -0.088 62.217 62.300 0.007 0.000 1.038 53 V CB -1.031 30.792 31.823 0.000 0.000 0.850 53 V HN 1.158 nan 8.190 nan 0.000 0.437 54 A N 2.821 125.661 122.820 0.034 0.000 2.520 54 A HA 0.461 4.782 4.320 0.001 0.000 0.235 54 A C -0.512 177.109 177.584 0.061 0.000 1.065 54 A CA -0.015 52.053 52.037 0.052 0.000 0.764 54 A CB -0.260 18.781 19.000 0.069 0.000 1.002 54 A HN 0.475 nan 8.150 nan 0.000 0.502 55 P HA 0.108 nan 4.420 nan 0.000 0.255 55 P C -0.504 176.828 177.300 0.053 0.000 1.248 55 P CA 0.833 63.970 63.100 0.061 0.000 0.807 55 P CB 0.121 31.857 31.700 0.061 0.000 1.150 56 D N -0.698 119.732 120.400 0.051 0.000 2.764 56 D HA 0.053 4.693 4.640 0.001 0.000 0.227 56 D C 0.928 177.262 176.300 0.057 0.000 1.347 56 D CA -0.435 53.597 54.000 0.055 0.000 0.953 56 D CB 1.249 42.079 40.800 0.051 0.000 1.476 56 D HN -0.282 nan 8.370 nan 0.000 0.585 57 Q N 1.747 121.589 119.800 0.070 0.000 2.096 57 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 57 Q C 0.950 176.989 176.000 0.066 0.000 0.982 57 Q CA 2.159 57.998 55.803 0.061 0.000 0.850 57 Q CB 0.177 28.972 28.738 0.094 0.000 0.901 57 Q HN 0.585 nan 8.270 nan 0.000 0.422 58 T N -0.435 114.201 114.554 0.138 0.000 2.777 58 T HA -0.092 4.259 4.350 0.001 0.000 0.266 58 T C 1.583 176.327 174.700 0.074 0.000 1.040 58 T CA 1.165 63.353 62.100 0.147 0.000 1.141 58 T CB -0.611 68.358 68.868 0.168 0.000 0.868 58 T HN 0.596 nan 8.240 nan 0.000 0.444 59 G N 1.567 110.403 108.800 0.060 0.000 2.402 59 G HA2 -0.210 3.750 3.960 0.001 0.000 0.216 59 G HA3 -0.210 3.750 3.960 0.001 0.000 0.216 59 G C 1.846 176.766 174.900 0.033 0.000 1.162 59 G CA 1.579 46.704 45.100 0.041 0.000 0.777 59 G HN 0.608 nan 8.290 nan 0.000 0.539 60 T N -1.049 113.524 114.554 0.032 0.000 2.995 60 T HA 0.314 4.665 4.350 0.001 0.000 0.269 60 T C 2.487 177.198 174.700 0.018 0.000 1.091 60 T CA 1.419 63.534 62.100 0.025 0.000 1.128 60 T CB -0.108 68.775 68.868 0.025 0.000 0.891 60 T HN 0.290 nan 8.240 nan 0.000 0.492 61 A N 1.788 124.611 122.820 0.006 0.000 1.898 61 A HA 0.429 4.750 4.320 0.001 0.000 0.216 61 A C 2.806 180.415 177.584 0.042 0.000 1.181 61 A CA 1.529 53.560 52.037 -0.009 0.000 0.620 61 A CB -1.339 17.617 19.000 -0.075 0.000 0.819 61 A HN 0.700 nan 8.150 nan 0.000 0.442 62 A N 0.013 122.862 122.820 0.048 0.000 1.902 62 A HA -0.078 4.243 4.320 0.001 0.000 0.217 62 A C 2.111 179.751 177.584 0.093 0.000 1.181 62 A CA 1.524 53.611 52.037 0.084 0.000 0.623 62 A CB -0.585 18.448 19.000 0.057 0.000 0.818 62 A HN 0.499 nan 8.150 nan 0.000 0.443 63 I N -0.850 119.748 120.570 0.048 0.000 2.202 63 I HA -0.211 3.960 4.170 0.001 0.000 0.242 63 I C 2.436 178.573 176.117 0.033 0.000 1.091 63 I CA 1.203 62.516 61.300 0.021 0.000 1.368 63 I CB -0.302 37.703 38.000 0.008 0.000 1.058 63 I HN 0.415 nan 8.210 nan 0.000 0.410 64 L N 0.331 121.581 121.223 0.045 0.000 2.042 64 L HA -0.283 4.058 4.340 0.001 0.000 0.210 64 L C 2.500 179.431 176.870 0.102 0.000 1.076 64 L CA 1.997 56.866 54.840 0.049 0.000 0.749 64 L CB -1.038 41.048 42.059 0.045 0.000 0.893 64 L HN 0.226 nan 8.230 nan 0.000 0.432 65 Y N 0.622 120.920 120.300 -0.004 0.000 2.145 65 Y HA -0.253 4.298 4.550 0.001 0.000 0.286 65 Y C 2.933 178.835 175.900 0.002 0.000 1.145 65 Y CA 2.268 60.367 58.100 -0.001 0.000 1.148 65 Y CB -0.397 38.056 38.460 -0.011 0.000 0.981 65 Y HN 0.290 nan 8.280 nan 0.000 0.507 66 R N 0.050 120.520 120.500 -0.050 0.000 2.091 66 R HA -0.159 4.181 4.340 0.001 0.000 0.238 66 R C 2.142 178.404 176.300 -0.063 0.000 1.136 66 R CA 1.986 58.005 56.100 -0.136 0.000 0.959 66 R CB -0.475 29.807 30.300 -0.029 0.000 0.856 66 R HN 0.467 nan 8.270 nan 0.000 0.437 67 L N 0.033 121.296 121.223 0.065 0.000 2.056 67 L HA -0.050 4.290 4.340 0.001 0.000 0.207 67 L C 2.738 179.748 176.870 0.234 0.000 1.078 67 L CA 1.190 56.177 54.840 0.246 0.000 0.749 67 L CB -0.644 41.498 42.059 0.140 0.000 0.901 67 L HN 0.332 nan 8.230 nan 0.000 0.433 68 A N 0.159 123.028 122.820 0.082 0.000 1.972 68 A HA -0.200 4.121 4.320 0.001 0.000 0.219 68 A C 2.280 179.851 177.584 -0.023 0.000 1.169 68 A CA 1.429 53.504 52.037 0.062 0.000 0.635 68 A CB -0.352 18.680 19.000 0.053 0.000 0.810 68 A HN 0.302 nan 8.150 nan 0.000 0.446 69 K N -0.830 119.440 120.400 -0.217 0.000 2.211 69 K HA -0.169 4.152 4.320 0.001 0.000 0.204 69 K C 1.651 178.159 176.600 -0.154 0.000 1.047 69 K CA 1.270 57.386 56.287 -0.285 0.000 0.935 69 K CB -0.321 31.875 32.500 -0.506 0.000 0.728 69 K HN 0.626 nan 8.250 nan 0.000 0.452 70 H N 0.477 119.548 119.070 0.002 0.000 2.489 70 H HA -0.068 4.489 4.556 0.001 0.000 0.293 70 H C 1.944 177.372 175.328 0.166 0.000 1.066 70 H CA 0.960 57.054 56.048 0.077 0.000 1.305 70 H CB 0.038 29.852 29.762 0.086 0.000 1.386 70 H HN 0.185 nan 8.280 nan 0.000 0.551 71 L N 0.510 121.871 121.223 0.230 0.000 2.313 71 L HA -0.021 4.319 4.340 0.001 0.000 0.214 71 L C 0.777 177.766 176.870 0.198 0.000 1.119 71 L CA -0.007 54.972 54.840 0.233 0.000 0.809 71 L CB 0.012 42.145 42.059 0.123 0.000 0.933 71 L HN -0.101 nan 8.230 nan 0.000 0.449 72 V N 1.440 121.402 119.914 0.080 0.000 2.557 72 V HA 0.127 4.248 4.120 0.001 0.000 0.301 72 V C 1.363 177.380 176.094 -0.129 0.000 1.026 72 V CA 1.215 63.506 62.300 -0.015 0.000 1.137 72 V CB 0.056 31.856 31.823 -0.039 0.000 0.917 72 V HN 0.645 nan 8.190 nan 0.000 0.484 73 G N 3.141 111.844 108.800 -0.160 0.000 2.175 73 G HA2 -0.177 3.784 3.960 0.001 0.000 0.244 73 G HA3 -0.177 3.784 3.960 0.001 0.000 0.244 73 G C 0.128 174.787 174.900 -0.401 0.000 0.982 73 G CA 0.088 45.017 45.100 -0.286 0.000 0.641 73 G HN 0.747 nan 8.290 nan 0.000 0.527 74 H N -0.137 118.930 119.070 -0.006 0.000 2.713 74 H HA 0.720 5.277 4.556 0.001 0.000 0.340 74 H C 0.124 175.438 175.328 -0.024 0.000 1.271 74 H CA 0.124 56.167 56.048 -0.008 0.000 1.306 74 H CB 1.395 31.157 29.762 -0.001 0.000 1.839 74 H HN 0.195 nan 8.280 nan 0.000 0.627 75 S N 1.697 117.471 115.700 0.122 0.000 2.525 75 S HA 0.127 4.597 4.470 0.001 0.000 0.278 75 S C -1.488 173.076 174.600 -0.060 0.000 1.234 75 S CA -1.528 56.693 58.200 0.035 0.000 1.058 75 S CB 0.749 63.995 63.200 0.078 0.000 0.983 75 S HN 0.431 nan 8.310 nan 0.000 0.495 76 P HA -0.070 nan 4.420 nan 0.000 0.226 76 P C 0.182 177.202 177.300 -0.467 0.000 1.153 76 P CA 1.162 64.055 63.100 -0.345 0.000 0.777 76 P CB -0.209 31.234 31.700 -0.428 0.000 0.794 77 H N -0.779 118.183 119.070 -0.181 0.000 2.547 77 H HA 0.086 4.642 4.556 0.001 0.000 0.266 77 H C 0.305 175.533 175.328 -0.166 0.000 0.988 77 H CA 0.316 56.240 56.048 -0.207 0.000 1.147 77 H CB -0.207 29.481 29.762 -0.124 0.000 1.365 77 H HN 0.067 nan 8.280 nan 0.000 0.589 78 D N -0.294 120.066 120.400 -0.067 0.000 2.593 78 D HA -0.005 4.635 4.640 0.001 0.000 0.241 78 D C 1.713 177.955 176.300 -0.097 0.000 1.257 78 D CA -0.026 53.942 54.000 -0.053 0.000 0.828 78 D CB 0.318 41.104 40.800 -0.024 0.000 1.049 78 D HN 0.163 nan 8.370 nan 0.000 0.490 79 V N 1.010 120.824 119.914 -0.168 0.000 2.317 79 V HA -0.345 3.775 4.120 0.001 0.000 0.251 79 V C 2.116 178.160 176.094 -0.083 0.000 1.065 79 V CA 2.616 64.819 62.300 -0.162 0.000 1.049 79 V CB -0.202 31.439 31.823 -0.302 0.000 0.651 79 V HN 0.290 nan 8.190 nan 0.000 0.450 80 A N 0.998 123.799 122.820 -0.032 0.000 1.845 80 A HA -0.069 4.251 4.320 0.001 0.000 0.215 80 A C 0.784 178.337 177.584 -0.052 0.000 1.195 80 A CA 1.919 53.949 52.037 -0.011 0.000 0.616 80 A CB -2.046 16.981 19.000 0.045 0.000 0.832 80 A HN 0.652 nan 8.150 nan 0.000 0.443 81 P HA -0.079 nan 4.420 nan 0.000 0.221 81 P C 1.573 178.826 177.300 -0.079 0.000 1.150 81 P CA 0.787 63.856 63.100 -0.050 0.000 0.800 81 P CB -0.126 31.552 31.700 -0.038 0.000 0.787 82 L N -0.586 120.575 121.223 -0.103 0.000 1.994 82 L HA -0.138 4.203 4.340 0.001 0.000 0.208 82 L C 2.855 179.656 176.870 -0.115 0.000 1.071 82 L CA 1.420 56.184 54.840 -0.127 0.000 0.745 82 L CB -0.835 41.150 42.059 -0.123 0.000 0.892 82 L HN -0.167 nan 8.230 nan 0.000 0.431 83 I N -0.219 120.249 120.570 -0.169 0.000 2.208 83 I HA -0.329 3.842 4.170 0.001 0.000 0.245 83 I C 2.782 178.681 176.117 -0.364 0.000 1.097 83 I CA 1.225 62.288 61.300 -0.395 0.000 1.363 83 I CB -0.465 37.202 38.000 -0.556 0.000 1.051 83 I HN 0.251 nan 8.210 nan 0.000 0.413 84 A N 0.629 123.338 122.820 -0.185 0.000 1.908 84 A HA -0.265 4.056 4.320 0.001 0.000 0.218 84 A C 2.446 180.080 177.584 0.082 0.000 1.181 84 A CA 1.868 53.890 52.037 -0.026 0.000 0.627 84 A CB -0.652 18.342 19.000 -0.009 0.000 0.818 84 A HN 0.366 nan 8.150 nan 0.000 0.445 85 R N -0.315 120.200 120.500 0.025 0.000 2.066 85 R HA -0.053 4.288 4.340 0.001 0.000 0.232 85 R C 1.965 178.298 176.300 0.056 0.000 1.131 85 R CA 1.686 57.815 56.100 0.047 0.000 0.955 85 R CB -0.394 29.890 30.300 -0.026 0.000 0.851 85 R HN 0.548 nan 8.270 nan 0.000 0.432 86 I N 0.419 121.010 120.570 0.035 0.000 2.264 86 I HA -0.275 3.896 4.170 0.001 0.000 0.248 86 I C 2.162 178.510 176.117 0.385 0.000 1.111 86 I CA 0.956 62.301 61.300 0.075 0.000 1.382 86 I CB -0.335 37.789 38.000 0.208 0.000 1.060 86 I HN 0.197 nan 8.210 nan 0.000 0.418 87 F N 1.153 121.255 119.950 0.253 0.000 2.113 87 F HA -0.232 4.296 4.527 0.001 0.000 0.297 87 F C 2.619 178.635 175.800 0.360 0.000 1.103 87 F CA 1.888 60.119 58.000 0.385 0.000 1.248 87 F CB -0.834 38.227 39.000 0.101 0.000 0.999 87 F HN 0.108 nan 8.300 nan 0.000 0.475 88 H N -0.814 118.269 119.070 0.021 0.000 2.389 88 H HA -0.160 4.397 4.556 0.001 0.000 0.299 88 H C 2.324 177.625 175.328 -0.045 0.000 1.081 88 H CA 1.379 57.355 56.048 -0.118 0.000 1.345 88 H CB 0.034 29.760 29.762 -0.060 0.000 1.393 88 H HN 0.444 nan 8.280 nan 0.000 0.520 89 Q N 0.019 119.808 119.800 -0.019 0.000 2.062 89 Q HA -0.097 4.244 4.340 0.001 0.000 0.196 89 Q C 1.709 177.755 176.000 0.077 0.000 0.967 89 Q CA 1.103 56.853 55.803 -0.089 0.000 0.832 89 Q CB 0.403 29.076 28.738 -0.108 0.000 0.899 89 Q HN 0.495 nan 8.270 nan 0.000 0.442 90 E N -1.102 119.185 120.200 0.145 0.000 2.400 90 E HA -0.035 4.316 4.350 0.001 0.000 0.195 90 E C 0.763 177.352 176.600 -0.017 0.000 1.012 90 E CA 0.503 56.950 56.400 0.078 0.000 0.875 90 E CB 0.394 30.079 29.700 -0.025 0.000 0.859 90 E HN 0.449 nan 8.360 nan 0.000 0.498 91 Y N -0.198 120.181 120.300 0.132 0.000 2.808 91 Y HA 0.143 4.694 4.550 0.001 0.000 0.244 91 Y C 2.278 178.174 175.900 -0.006 0.000 1.033 91 Y CA -0.116 58.021 58.100 0.062 0.000 1.415 91 Y CB -0.265 38.217 38.460 0.036 0.000 1.420 91 Y HN -0.190 nan 8.280 nan 0.000 0.484 92 L N -0.142 121.077 121.223 -0.006 0.000 2.042 92 L HA -0.173 4.167 4.340 0.001 0.000 0.210 92 L C 2.426 179.304 176.870 0.013 0.000 1.076 92 L CA 1.661 56.474 54.840 -0.043 0.000 0.749 92 L CB -1.208 40.793 42.059 -0.097 0.000 0.893 92 L HN 0.455 nan 8.230 nan 0.000 0.432 93 G N -1.319 107.449 108.800 -0.054 0.000 2.498 93 G HA2 -0.225 3.736 3.960 0.001 0.000 0.219 93 G HA3 -0.225 3.736 3.960 0.001 0.000 0.219 93 G C 0.932 175.636 174.900 -0.328 0.000 1.119 93 G CA 0.531 45.488 45.100 -0.239 0.000 0.766 93 G HN 0.508 nan 8.290 nan 0.000 0.552 94 H N -1.300 117.748 119.070 -0.036 0.000 2.586 94 H HA 0.371 4.928 4.556 0.001 0.000 0.273 94 H C 1.923 177.245 175.328 -0.011 0.000 0.997 94 H CA 0.222 56.253 56.048 -0.029 0.000 1.177 94 H CB 0.702 30.440 29.762 -0.041 0.000 1.471 94 H HN 0.309 nan 8.280 nan 0.000 0.538 95 G N 0.476 109.320 108.800 0.073 0.000 2.159 95 G HA2 -0.282 3.679 3.960 0.001 0.000 0.256 95 G HA3 -0.282 3.679 3.960 0.001 0.000 0.256 95 G C 0.545 175.488 174.900 0.072 0.000 0.977 95 G CA 0.142 45.273 45.100 0.052 0.000 0.652 95 G HN 0.617 nan 8.290 nan 0.000 0.531 96 A N 0.615 123.504 122.820 0.115 0.000 3.015 96 A HA 0.561 4.882 4.320 0.001 0.000 0.293 96 A C 0.658 178.346 177.584 0.174 0.000 1.572 96 A CA -0.298 51.827 52.037 0.148 0.000 1.274 96 A CB -0.367 18.742 19.000 0.182 0.000 1.156 96 A HN 0.425 nan 8.150 nan 0.000 0.562 97 N N 2.657 121.420 118.700 0.105 0.000 3.254 97 N HA 0.182 4.923 4.740 0.001 0.000 0.308 97 N C 0.121 175.721 175.510 0.151 0.000 1.281 97 N CA 0.104 53.212 53.050 0.098 0.000 1.212 97 N CB 0.022 38.536 38.487 0.045 0.000 1.478 97 N HN 0.809 nan 8.380 nan 0.000 0.548 101 A N 1.520 124.388 122.820 0.080 0.000 1.930 101 A HA 0.061 4.381 4.320 0.001 0.000 0.217 101 A C 2.180 179.777 177.584 0.022 0.000 1.175 101 A CA 1.960 54.049 52.037 0.087 0.000 0.627 101 A CB -0.462 18.615 19.000 0.128 0.000 0.815 101 A HN 0.381 nan 8.150 nan 0.000 0.443 102 A N 0.350 123.100 122.820 -0.116 0.000 1.898 102 A HA -0.182 4.138 4.320 0.001 0.000 0.216 102 A C 1.890 179.377 177.584 -0.163 0.000 1.181 102 A CA 1.753 53.569 52.037 -0.368 0.000 0.620 102 A CB -0.636 17.966 19.000 -0.663 0.000 0.819 102 A HN 0.517 nan 8.150 nan 0.000 0.442 103 N N -0.193 118.485 118.700 -0.037 0.000 2.149 103 N HA -0.212 4.529 4.740 0.001 0.000 0.188 103 N C 1.819 177.365 175.510 0.061 0.000 1.019 103 N CA 1.564 54.648 53.050 0.058 0.000 0.857 103 N CB -0.502 38.026 38.487 0.068 0.000 0.997 103 N HN 0.756 nan 8.380 nan 0.000 0.426 104 Q N -0.082 119.750 119.800 0.053 0.000 2.135 104 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 104 Q C 1.448 177.454 176.000 0.010 0.000 0.981 104 Q CA 1.036 56.870 55.803 0.051 0.000 0.856 104 Q CB 0.149 28.932 28.738 0.076 0.000 0.902 104 Q HN 0.261 nan 8.270 nan 0.000 0.425 105 I N -0.405 120.131 120.570 -0.057 0.000 2.296 105 I HA -0.136 4.035 4.170 0.001 0.000 0.242 105 I C 1.859 177.930 176.117 -0.076 0.000 1.087 105 I CA 0.871 62.103 61.300 -0.112 0.000 1.393 105 I CB -1.345 36.517 38.000 -0.230 0.000 1.093 105 I HN 0.153 nan 8.210 nan 0.000 0.421 106 F N 1.489 121.457 119.950 0.031 0.000 2.408 106 F HA -0.132 4.395 4.527 0.001 0.000 0.300 106 F C 2.913 178.731 175.800 0.029 0.000 1.090 106 F CA 1.079 59.092 58.000 0.022 0.000 1.427 106 F CB -1.148 37.831 39.000 -0.035 0.000 1.070 106 F HN 0.024 nan 8.300 nan 0.000 0.549 107 S N 0.128 115.934 115.700 0.175 0.000 2.359 107 S HA -0.167 4.304 4.470 0.001 0.000 0.224 107 S C 2.550 177.222 174.600 0.121 0.000 1.035 107 S CA 1.664 59.935 58.200 0.118 0.000 1.018 107 S CB -0.897 62.339 63.200 0.059 0.000 0.876 107 S HN 0.431 nan 8.310 nan 0.000 0.448 108 G N 1.177 110.038 108.800 0.101 0.000 2.402 108 G HA2 -0.087 3.874 3.960 0.001 0.000 0.216 108 G HA3 -0.087 3.874 3.960 0.001 0.000 0.216 108 G C 1.439 176.415 174.900 0.128 0.000 1.162 108 G CA 0.838 45.996 45.100 0.098 0.000 0.777 108 G HN 0.563 nan 8.290 nan 0.000 0.539 109 I N 0.700 121.362 120.570 0.153 0.000 2.163 109 I HA -0.080 4.091 4.170 0.001 0.000 0.243 109 I C 1.650 177.861 176.117 0.156 0.000 1.085 109 I CA 0.631 62.031 61.300 0.167 0.000 1.347 109 I CB -0.290 37.864 38.000 0.257 0.000 1.044 109 I HN 0.161 nan 8.210 nan 0.000 0.408 115 D N 1.178 121.640 120.400 0.102 0.000 2.117 115 D HA -0.158 4.482 4.640 0.001 0.000 0.197 115 D C 2.009 178.263 176.300 -0.077 0.000 0.987 115 D CA 1.770 55.760 54.000 -0.018 0.000 0.829 115 D CB -0.016 40.768 40.800 -0.026 0.000 0.961 115 D HN -0.000 nan 8.370 nan 0.000 0.460 116 L N 0.591 121.760 121.223 -0.089 0.000 2.017 116 L HA -0.121 4.219 4.340 0.001 0.000 0.208 116 L C 2.193 178.973 176.870 -0.151 0.000 1.073 116 L CA 1.771 56.535 54.840 -0.126 0.000 0.745 116 L CB -0.843 41.127 42.059 -0.147 0.000 0.894 116 L HN 0.132 nan 8.230 nan 0.000 0.432 117 Q N -0.830 118.853 119.800 -0.195 0.000 2.084 117 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 117 Q C 2.065 178.047 176.000 -0.030 0.000 0.978 117 Q CA 1.390 57.085 55.803 -0.181 0.000 0.844 117 Q CB -0.531 28.066 28.738 -0.235 0.000 0.898 117 Q HN 0.709 nan 8.270 nan 0.000 0.426 118 G N 1.285 110.078 108.800 -0.012 0.000 2.421 118 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 118 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 118 G C 1.300 176.172 174.900 -0.047 0.000 1.171 118 G CA 0.658 45.745 45.100 -0.020 0.000 0.775 118 G HN 0.201 nan 8.290 nan 0.000 0.543 119 K N -0.103 120.254 120.400 -0.072 0.000 2.057 119 K HA 0.084 4.405 4.320 0.001 0.000 0.207 119 K C 2.473 179.045 176.600 -0.047 0.000 1.049 119 K CA 0.734 56.976 56.287 -0.074 0.000 0.931 119 K CB -0.272 32.171 32.500 -0.096 0.000 0.714 119 K HN 0.259 nan 8.250 nan 0.000 0.440 120 L N 0.073 121.272 121.223 -0.039 0.000 2.141 120 L HA -0.125 4.215 4.340 0.001 0.000 0.209 120 L C 2.334 179.213 176.870 0.014 0.000 1.094 120 L CA 0.929 55.762 54.840 -0.011 0.000 0.763 120 L CB -0.342 41.715 42.059 -0.004 0.000 0.908 120 L HN 0.193 nan 8.230 nan 0.000 0.437 121 A N -0.669 122.163 122.820 0.020 0.000 2.147 121 A HA 0.320 4.640 4.320 0.001 0.000 0.211 121 A C 1.665 179.249 177.584 -0.001 0.000 1.160 121 A CA 0.671 52.721 52.037 0.022 0.000 0.781 121 A CB -0.131 18.894 19.000 0.042 0.000 0.842 121 A HN 0.446 nan 8.150 nan 0.000 0.475 122 G N -0.778 108.013 108.800 -0.014 0.000 2.225 122 G HA2 -0.177 3.783 3.960 0.001 0.000 0.264 122 G HA3 -0.177 3.783 3.960 0.001 0.000 0.264 122 G C -0.220 174.666 174.900 -0.024 0.000 1.060 122 G CA 0.532 45.619 45.100 -0.021 0.000 0.833 122 G HN 0.524 nan 8.290 nan 0.000 0.498 123 L N 0.135 121.338 121.223 -0.033 0.000 2.388 123 L HA 0.610 4.951 4.340 0.001 0.000 0.264 123 L C -2.112 174.704 176.870 -0.090 0.000 0.998 123 L CA -2.634 52.174 54.840 -0.052 0.000 0.817 123 L CB 2.949 44.981 42.059 -0.044 0.000 1.338 123 L HN -0.075 nan 8.230 nan 0.000 0.414 124 P HA 0.077 nan 4.420 nan 0.000 0.275 124 P C 0.829 177.943 177.300 -0.310 0.000 1.228 124 P CA -0.314 62.673 63.100 -0.187 0.000 0.786 124 P CB 1.653 33.308 31.700 -0.076 0.000 0.927 125 V N 2.651 122.321 119.914 -0.405 0.000 2.380 125 V HA -0.291 3.829 4.120 0.001 0.000 0.251 125 V C 2.453 178.487 176.094 -0.101 0.000 1.063 125 V CA 2.779 64.946 62.300 -0.223 0.000 1.055 125 V CB -2.118 29.558 31.823 -0.246 0.000 0.657 125 V HN 0.759 nan 8.190 nan 0.000 0.455 126 H N -0.259 118.874 119.070 0.105 0.000 2.489 126 H HA -0.096 4.461 4.556 0.001 0.000 0.293 126 H C 1.898 177.247 175.328 0.035 0.000 1.066 126 H CA 1.351 57.456 56.048 0.094 0.000 1.305 126 H CB -0.450 29.407 29.762 0.158 0.000 1.386 126 H HN 0.455 nan 8.280 nan 0.000 0.551 127 Q N 0.187 119.805 119.800 -0.302 0.000 2.403 127 Q HA 0.172 4.513 4.340 0.001 0.000 0.203 127 Q C 1.081 177.049 176.000 -0.052 0.000 0.932 127 Q CA 0.101 55.820 55.803 -0.141 0.000 0.945 127 Q CB 0.426 29.048 28.738 -0.194 0.000 1.045 127 Q HN 0.590 nan 8.270 nan 0.000 0.511 128 L N -0.673 120.533 121.223 -0.028 0.000 2.590 128 L HA 0.121 4.462 4.340 0.001 0.000 0.227 128 L C 1.190 178.071 176.870 0.019 0.000 1.099 128 L CA 0.261 55.133 54.840 0.055 0.000 0.872 128 L CB 0.429 42.593 42.059 0.174 0.000 1.088 128 L HN 0.169 nan 8.230 nan 0.000 0.479 129 L N -0.554 120.645 121.223 -0.039 0.000 2.769 129 L HA 0.397 4.737 4.340 0.001 0.000 0.240 129 L C 1.218 178.080 176.870 -0.014 0.000 1.163 129 L CA 0.428 55.223 54.840 -0.075 0.000 0.962 129 L CB 0.394 42.371 42.059 -0.136 0.000 1.258 129 L HN 0.327 nan 8.230 nan 0.000 0.513 130 G N -0.737 108.064 108.800 0.002 0.000 2.231 130 G HA2 0.000 3.961 3.960 0.001 0.000 0.206 130 G HA3 0.000 3.961 3.960 0.001 0.000 0.206 130 G C 0.515 175.397 174.900 -0.030 0.000 0.996 130 G CA -0.280 44.822 45.100 0.003 0.000 0.645 130 G HN 0.832 nan 8.290 nan 0.000 0.498 131 G N -0.997 107.800 108.800 -0.004 0.000 2.515 131 G HA2 0.526 4.487 3.960 0.001 0.000 0.686 131 G HA3 0.526 4.487 3.960 0.001 0.000 0.686 131 G C -0.082 174.780 174.900 -0.063 0.000 1.274 131 G CA 0.796 45.889 45.100 -0.010 0.000 0.874 131 G HN 2.100 nan 8.290 nan 0.000 0.631 132 A N 0.137 122.938 122.820 -0.033 0.000 2.328 132 A HA 0.683 5.003 4.320 0.001 0.000 0.284 132 A C 0.753 178.183 177.584 -0.256 0.000 1.160 132 A CA -0.162 51.779 52.037 -0.160 0.000 0.818 132 A CB 0.268 19.110 19.000 -0.264 0.000 1.087 132 A HN 0.869 nan 8.150 nan 0.000 0.504 133 H N 1.996 121.010 119.070 -0.094 0.000 2.526 133 H HA 0.109 4.666 4.556 0.001 0.000 0.274 133 H C 0.288 175.559 175.328 -0.095 0.000 0.999 133 H CA 0.789 56.790 56.048 -0.079 0.000 1.157 133 H CB 0.190 29.909 29.762 -0.072 0.000 1.407 133 H HN 0.775 nan 8.280 nan 0.000 0.568 134 R N -0.787 119.680 120.500 -0.054 0.000 2.663 134 R HA 0.277 4.617 4.340 0.001 0.000 0.267 134 R C -0.354 175.862 176.300 -0.140 0.000 1.038 134 R CA -0.791 55.256 56.100 -0.089 0.000 0.886 134 R CB 1.342 31.598 30.300 -0.074 0.000 1.249 134 R HN -0.176 nan 8.270 nan 0.000 0.463 135 K N 0.113 120.426 120.400 -0.146 0.000 2.296 135 K HA 0.186 4.506 4.320 0.001 0.000 0.200 135 K C 0.256 176.771 176.600 -0.141 0.000 1.048 135 K CA 1.316 57.518 56.287 -0.141 0.000 0.966 135 K CB 0.498 32.913 32.500 -0.142 0.000 0.754 135 K HN 0.581 nan 8.250 nan 0.000 0.466 136 A N 0.511 123.242 122.820 -0.148 0.000 2.574 136 A HA 0.470 4.790 4.320 0.001 0.000 0.297 136 A C -1.089 176.526 177.584 0.051 0.000 1.062 136 A CA -0.747 51.263 52.037 -0.046 0.000 0.686 136 A CB 1.540 20.535 19.000 -0.007 0.000 1.285 136 A HN -0.100 nan 8.150 nan 0.000 0.403 137 V N 1.285 121.198 119.914 -0.003 0.000 2.509 137 V HA 0.599 4.719 4.120 0.001 0.000 0.284 137 V C 1.063 177.050 176.094 -0.177 0.000 1.047 137 V CA 0.243 62.426 62.300 -0.195 0.000 0.952 137 V CB 1.517 33.028 31.823 -0.519 0.000 0.988 137 V HN 1.196 nan 8.190 nan 0.000 0.469 138 G N 3.368 111.953 108.800 -0.358 0.000 2.356 138 G HA2 0.566 4.527 3.960 0.001 0.000 0.298 138 G HA3 0.566 4.527 3.960 0.001 0.000 0.298 138 G C -1.385 173.020 174.900 -0.824 0.000 1.145 138 G CA -0.127 44.498 45.100 -0.792 0.000 0.850 138 G HN 0.509 nan 8.290 nan 0.000 0.487 139 Y N 0.856 120.954 120.300 -0.337 0.000 2.562 139 Y HA 0.570 5.120 4.550 0.001 0.000 0.343 139 Y C 0.396 176.265 175.900 -0.052 0.000 1.025 139 Y CA -1.125 56.867 58.100 -0.181 0.000 1.082 139 Y CB 1.748 40.177 38.460 -0.051 0.000 1.264 139 Y HN 0.626 nan 8.280 nan 0.000 0.478 140 F N 0.007 119.971 119.950 0.023 0.000 2.284 140 F HA 0.435 4.962 4.527 0.001 0.000 0.297 140 F C -1.115 174.708 175.800 0.040 0.000 1.215 140 F CA -2.394 55.595 58.000 -0.017 0.000 1.120 140 F CB -0.295 38.701 39.000 -0.005 0.000 1.426 140 F HN 0.438 nan 8.300 nan 0.000 0.514 141 Y N 1.186 121.415 120.300 -0.118 0.000 2.376 141 Y HA 0.398 4.949 4.550 0.001 0.000 0.326 141 Y C -1.336 174.318 175.900 -0.409 0.000 0.970 141 Y CA -2.143 55.796 58.100 -0.269 0.000 1.248 141 Y CB 0.572 38.763 38.460 -0.450 0.000 1.117 141 Y HN 0.504 nan 8.280 nan 0.000 0.476 142 F N 7.724 127.025 119.950 -1.082 0.000 2.494 142 F HA 0.320 4.848 4.527 0.001 0.000 0.351 142 F C -0.601 174.818 175.800 -0.635 0.000 1.205 142 F CA -0.507 56.952 58.000 -0.901 0.000 1.125 142 F CB -0.134 38.456 39.000 -0.684 0.000 1.268 142 F HN 0.433 nan 8.300 nan 0.000 0.593 143 L N 5.707 126.552 121.223 -0.630 0.000 2.461 143 L HA 0.164 4.505 4.340 0.001 0.000 0.272 143 L C 0.052 176.587 176.870 -0.559 0.000 1.197 143 L CA 0.214 54.792 54.840 -0.436 0.000 0.836 143 L CB 0.490 42.451 42.059 -0.163 0.000 1.105 143 L HN 0.518 nan 8.230 nan 0.000 0.477 144 Q N 1.335 120.933 119.800 -0.337 0.000 2.397 144 Q HA 0.784 5.125 4.340 0.001 0.000 0.275 144 Q C -0.511 175.374 176.000 -0.192 0.000 1.090 144 Q CA -0.843 54.788 55.803 -0.287 0.000 0.809 144 Q CB 2.736 31.365 28.738 -0.181 0.000 1.362 144 Q HN 0.800 nan 8.270 nan 0.000 0.431 145 G N 0.820 109.497 108.800 -0.206 0.000 2.312 145 G HA2 -0.014 3.947 3.960 0.001 0.000 0.347 145 G HA3 -0.014 3.947 3.960 0.001 0.000 0.347 145 G C -0.569 174.190 174.900 -0.235 0.000 1.564 145 G CA -0.596 44.393 45.100 -0.186 0.000 0.981 145 G HN 0.465 nan 8.290 nan 0.000 0.678 146 E N -0.692 119.354 120.200 -0.257 0.000 2.431 146 E HA 0.135 4.485 4.350 0.001 0.000 0.200 146 E C 1.515 178.006 176.600 -0.181 0.000 0.995 146 E CA 1.294 57.529 56.400 -0.275 0.000 0.915 146 E CB 0.998 30.459 29.700 -0.399 0.000 0.930 146 E HN 0.873 nan 8.360 nan 0.000 0.496 147 T N -3.161 111.304 114.554 -0.148 0.000 2.942 147 T HA 0.644 4.995 4.350 0.001 0.000 0.289 147 T C 1.204 175.841 174.700 -0.106 0.000 1.044 147 T CA -0.174 61.859 62.100 -0.112 0.000 1.023 147 T CB 2.135 70.948 68.868 -0.091 0.000 1.123 147 T HN -0.117 nan 8.240 nan 0.000 0.512 148 A N 0.359 123.122 122.820 -0.095 0.000 1.908 148 A HA -0.069 4.252 4.320 0.001 0.000 0.218 148 A C 2.206 179.738 177.584 -0.087 0.000 1.181 148 A CA 1.972 53.951 52.037 -0.097 0.000 0.627 148 A CB -1.159 17.787 19.000 -0.091 0.000 0.818 148 A HN 1.032 nan 8.150 nan 0.000 0.445 149 E N -0.137 120.019 120.200 -0.074 0.000 2.058 149 E HA -0.244 4.107 4.350 0.001 0.000 0.194 149 E C 1.947 178.511 176.600 -0.061 0.000 0.997 149 E CA 1.569 57.931 56.400 -0.063 0.000 0.801 149 E CB -0.135 29.533 29.700 -0.052 0.000 0.746 149 E HN 0.776 nan 8.360 nan 0.000 0.450 150 E N 0.330 120.489 120.200 -0.068 0.000 2.051 150 E HA -0.183 4.167 4.350 0.001 0.000 0.192 150 E C 2.343 178.904 176.600 -0.064 0.000 0.991 150 E CA 1.017 57.378 56.400 -0.065 0.000 0.799 150 E CB -0.107 29.544 29.700 -0.081 0.000 0.748 150 E HN 0.308 nan 8.360 nan 0.000 0.449 151 L N 0.702 121.874 121.223 -0.085 0.000 2.083 151 L HA -0.162 4.179 4.340 0.001 0.000 0.209 151 L C 2.578 179.411 176.870 -0.062 0.000 1.083 151 L CA 0.950 55.740 54.840 -0.084 0.000 0.752 151 L CB -0.426 41.563 42.059 -0.116 0.000 0.899 151 L HN 0.151 nan 8.230 nan 0.000 0.433 152 A N 0.083 122.858 122.820 -0.075 0.000 1.930 152 A HA -0.226 4.094 4.320 0.001 0.000 0.217 152 A C 2.340 179.891 177.584 -0.054 0.000 1.175 152 A CA 1.656 53.645 52.037 -0.081 0.000 0.627 152 A CB -0.417 18.531 19.000 -0.087 0.000 0.815 152 A HN 0.289 nan 8.150 nan 0.000 0.443 153 R N 0.525 121.004 120.500 -0.035 0.000 2.075 153 R HA -0.142 4.199 4.340 0.001 0.000 0.232 153 R C 1.733 178.046 176.300 0.021 0.000 1.126 153 R CA 2.085 58.176 56.100 -0.014 0.000 0.963 153 R CB -0.804 29.488 30.300 -0.014 0.000 0.858 153 R HN 0.471 nan 8.270 nan 0.000 0.435 154 D N -0.358 120.067 120.400 0.043 0.000 2.117 154 D HA -0.067 4.574 4.640 0.001 0.000 0.197 154 D C 1.631 178.060 176.300 0.215 0.000 0.987 154 D CA 1.673 55.752 54.000 0.131 0.000 0.829 154 D CB -0.207 40.660 40.800 0.112 0.000 0.961 154 D HN 0.335 nan 8.370 nan 0.000 0.460 155 A N 0.432 123.333 122.820 0.135 0.000 1.930 155 A HA 0.078 4.399 4.320 0.001 0.000 0.217 155 A C 2.367 179.959 177.584 0.013 0.000 1.175 155 A CA 2.080 54.173 52.037 0.093 0.000 0.627 155 A CB -0.941 17.975 19.000 -0.140 0.000 0.815 155 A HN 0.303 nan 8.150 nan 0.000 0.443 156 A N -0.449 122.360 122.820 -0.018 0.000 1.877 156 A HA -0.034 4.286 4.320 0.001 0.000 0.216 156 A C 2.242 179.852 177.584 0.043 0.000 1.186 156 A CA 1.916 53.941 52.037 -0.020 0.000 0.620 156 A CB -0.990 17.990 19.000 -0.034 0.000 0.822 156 A HN 0.394 nan 8.150 nan 0.000 0.443 157 V N -0.092 119.848 119.914 0.045 0.000 2.307 157 V HA -0.163 3.958 4.120 0.001 0.000 0.245 157 V C 2.846 178.931 176.094 -0.014 0.000 1.045 157 V CA 1.968 64.289 62.300 0.035 0.000 1.024 157 V CB -1.534 30.321 31.823 0.053 0.000 0.651 157 V HN 0.616 nan 8.190 nan 0.000 0.449 158 G N -0.974 107.764 108.800 -0.103 0.000 2.440 158 G HA2 -0.334 3.626 3.960 0.001 0.000 0.218 158 G HA3 -0.334 3.626 3.960 0.001 0.000 0.218 158 G C 1.591 176.425 174.900 -0.110 0.000 1.154 158 G CA 1.115 45.922 45.100 -0.489 0.000 0.767 158 G HN 0.584 nan 8.290 nan 0.000 0.552 159 H N 1.309 120.459 119.070 0.134 0.000 2.353 159 H HA 0.018 4.575 4.556 0.001 0.000 0.300 159 H C 2.727 178.091 175.328 0.061 0.000 1.090 159 H CA 1.572 57.751 56.048 0.219 0.000 1.327 159 H CB -0.220 29.577 29.762 0.058 0.000 1.383 159 H HN 0.303 nan 8.280 nan 0.000 0.508 160 A N 0.751 123.665 122.820 0.157 0.000 2.015 160 A HA -0.133 4.188 4.320 0.001 0.000 0.219 160 A C 2.253 179.844 177.584 0.012 0.000 1.163 160 A CA 1.214 53.307 52.037 0.094 0.000 0.646 160 A CB -0.353 18.693 19.000 0.077 0.000 0.806 160 A HN 0.575 nan 8.150 nan 0.000 0.448 161 Q N -1.585 118.198 119.800 -0.028 0.000 2.444 161 Q HA 0.235 4.576 4.340 0.001 0.000 0.206 161 Q C 1.042 177.007 176.000 -0.058 0.000 0.948 161 Q CA 0.377 56.156 55.803 -0.040 0.000 0.946 161 Q CB 0.104 28.807 28.738 -0.058 0.000 1.027 161 Q HN 0.865 nan 8.270 nan 0.000 0.513 162 G N 0.850 109.590 108.800 -0.100 0.000 2.144 162 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 162 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 162 G C -0.200 174.615 174.900 -0.143 0.000 0.988 162 G CA -0.406 44.633 45.100 -0.102 0.000 0.659 162 G HN 0.184 nan 8.290 nan 0.000 0.522 163 E N -0.146 119.912 120.200 -0.237 0.000 2.413 163 E HA 0.300 4.651 4.350 0.001 0.000 0.263 163 E C 1.416 177.815 176.600 -0.336 0.000 1.015 163 E CA 0.108 56.283 56.400 -0.375 0.000 0.916 163 E CB 0.585 29.830 29.700 -0.760 0.000 0.947 163 E HN 0.611 nan 8.360 nan 0.000 0.440 164 R N 0.538 120.856 120.500 -0.304 0.000 2.221 164 R HA 0.178 4.518 4.340 0.001 0.000 0.195 164 R C 0.072 176.305 176.300 -0.111 0.000 0.956 164 R CA 0.179 56.189 56.100 -0.149 0.000 1.064 164 R CB 0.735 30.957 30.300 -0.131 0.000 1.049 164 R HN 0.123 nan 8.270 nan 0.000 0.534 165 V N 2.180 121.958 119.914 -0.226 0.000 2.380 165 V HA 0.326 4.447 4.120 0.001 0.000 0.286 165 V C -0.982 175.046 176.094 -0.111 0.000 1.015 165 V CA -0.741 61.521 62.300 -0.062 0.000 0.834 165 V CB 1.072 32.895 31.823 0.001 0.000 1.009 165 V HN 0.013 nan 8.190 nan 0.000 0.428 166 F N 3.890 123.910 119.950 0.116 0.000 2.410 166 F HA 0.481 5.009 4.527 0.001 0.000 0.348 166 F C -0.178 175.688 175.800 0.110 0.000 1.106 166 F CA -0.311 57.767 58.000 0.131 0.000 1.163 166 F CB 0.913 39.966 39.000 0.088 0.000 1.129 166 F HN 0.459 nan 8.300 nan 0.000 0.516 167 Y N 4.790 125.104 120.300 0.023 0.000 2.345 167 Y HA 0.582 5.133 4.550 0.001 0.000 0.331 167 Y C -1.470 174.363 175.900 -0.113 0.000 0.959 167 Y CA -1.206 56.863 58.100 -0.052 0.000 1.204 167 Y CB 1.157 39.499 38.460 -0.196 0.000 1.135 167 Y HN 0.528 nan 8.280 nan 0.000 0.477 168 L N 6.497 127.526 121.223 -0.322 0.000 2.362 168 L HA 0.542 4.883 4.340 0.001 0.000 0.275 168 L C -1.118 175.540 176.870 -0.352 0.000 0.998 168 L CA -0.775 53.894 54.840 -0.284 0.000 0.820 168 L CB 1.529 43.482 42.059 -0.178 0.000 1.270 168 L HN 0.589 nan 8.230 nan 0.000 0.415 169 K N 4.205 124.442 120.400 -0.271 0.000 2.234 169 K HA 0.652 4.973 4.320 0.001 0.000 0.282 169 K C -0.465 176.041 176.600 -0.157 0.000 1.039 169 K CA -0.564 55.605 56.287 -0.197 0.000 0.928 169 K CB 0.987 33.432 32.500 -0.093 0.000 1.039 169 K HN 0.605 nan 8.250 nan 0.000 0.470 170 V N 0.306 120.126 119.914 -0.156 0.000 3.624 170 V HA 0.772 4.892 4.120 0.001 0.000 0.297 170 V C 0.699 176.716 176.094 -0.129 0.000 1.319 170 V CA -0.141 62.103 62.300 -0.093 0.000 0.990 170 V CB 0.675 32.498 31.823 -0.001 0.000 1.247 170 V HN 0.927 nan 8.190 nan 0.000 0.476 171 G N 0.396 109.189 108.800 -0.012 0.000 2.132 171 G HA2 -0.210 3.751 3.960 0.001 0.000 0.234 171 G HA3 -0.210 3.751 3.960 0.001 0.000 0.234 171 G C 0.481 175.417 174.900 0.060 0.000 0.989 171 G CA 0.432 45.515 45.100 -0.029 0.000 0.676 171 G HN 0.869 nan 8.290 nan 0.000 0.522 172 R N 0.345 120.883 120.500 0.063 0.000 2.426 172 R HA 0.480 4.821 4.340 0.001 0.000 0.263 172 R C 1.152 177.479 176.300 0.046 0.000 0.961 172 R CA 0.394 56.509 56.100 0.025 0.000 1.086 172 R CB 0.235 30.524 30.300 -0.018 0.000 1.186 172 R HN 1.500 nan 8.270 nan 0.000 0.537 173 G N 1.251 110.113 108.800 0.103 0.000 2.617 173 G HA2 -0.204 3.757 3.960 0.001 0.000 0.686 173 G HA3 -0.204 3.757 3.960 0.001 0.000 0.686 173 G C 0.104 175.042 174.900 0.064 0.000 1.214 173 G CA -0.399 44.744 45.100 0.072 0.000 0.796 173 G HN 0.226 nan 8.290 nan 0.000 0.654 174 E N 0.427 120.641 120.200 0.024 0.000 2.038 174 E HA -0.184 4.167 4.350 0.001 0.000 0.195 174 E C 2.328 178.927 176.600 -0.000 0.000 1.000 174 E CA 1.595 57.992 56.400 -0.006 0.000 0.803 174 E CB -0.090 29.582 29.700 -0.047 0.000 0.750 174 E HN 0.553 nan 8.360 nan 0.000 0.448 175 K N 0.094 120.491 120.400 -0.005 0.000 1.991 175 K HA -0.210 4.111 4.320 0.001 0.000 0.212 175 K C 2.328 178.918 176.600 -0.016 0.000 1.049 175 K CA 1.517 57.799 56.287 -0.010 0.000 0.932 175 K CB -0.286 32.206 32.500 -0.012 0.000 0.717 175 K HN 0.143 nan 8.250 nan 0.000 0.441 176 L N 1.737 122.950 121.223 -0.017 0.000 2.083 176 L HA -0.179 4.162 4.340 0.001 0.000 0.209 176 L C 1.551 178.398 176.870 -0.038 0.000 1.083 176 L CA 1.917 56.737 54.840 -0.033 0.000 0.752 176 L CB -0.578 41.462 42.059 -0.033 0.000 0.899 176 L HN 0.224 nan 8.230 nan 0.000 0.433 177 D N -0.503 119.893 120.400 -0.006 0.000 2.104 177 D HA -0.199 4.442 4.640 0.001 0.000 0.194 177 D C 2.291 178.561 176.300 -0.050 0.000 0.994 177 D CA 1.718 55.720 54.000 0.005 0.000 0.830 177 D CB -0.220 40.642 40.800 0.103 0.000 0.959 177 D HN 0.359 nan 8.370 nan 0.000 0.452 178 L N 0.600 121.801 121.223 -0.036 0.000 2.141 178 L HA -0.115 4.226 4.340 0.001 0.000 0.209 178 L C 2.281 179.052 176.870 -0.164 0.000 1.094 178 L CA 0.969 55.768 54.840 -0.069 0.000 0.763 178 L CB -0.308 41.777 42.059 0.043 0.000 0.908 178 L HN 0.031 nan 8.230 nan 0.000 0.437 179 E N 0.679 120.815 120.200 -0.106 0.000 2.047 179 E HA -0.213 4.138 4.350 0.001 0.000 0.191 179 E C 2.245 178.748 176.600 -0.162 0.000 0.987 179 E CA 1.624 57.956 56.400 -0.113 0.000 0.799 179 E CB -0.182 29.474 29.700 -0.073 0.000 0.752 179 E HN 0.620 nan 8.360 nan 0.000 0.449 180 I N -0.723 119.755 120.570 -0.153 0.000 2.315 180 I HA -0.147 4.024 4.170 0.001 0.000 0.248 180 I C 2.081 178.063 176.117 -0.224 0.000 1.117 180 I CA 1.219 62.421 61.300 -0.164 0.000 1.404 180 I CB -0.533 37.385 38.000 -0.136 0.000 1.071 180 I HN -0.106 nan 8.210 nan 0.000 0.419 181 T N 1.547 115.925 114.554 -0.293 0.000 2.777 181 T HA -0.009 4.342 4.350 0.001 0.000 0.266 181 T C 2.193 176.536 174.700 -0.596 0.000 1.040 181 T CA 1.639 63.497 62.100 -0.403 0.000 1.141 181 T CB -0.331 68.272 68.868 -0.443 0.000 0.868 181 T HN 0.580 nan 8.240 nan 0.000 0.444 182 A N 1.506 123.871 122.820 -0.758 0.000 1.902 182 A HA 0.146 4.466 4.320 0.001 0.000 0.217 182 A C 2.644 180.084 177.584 -0.240 0.000 1.181 182 A CA 1.852 53.550 52.037 -0.567 0.000 0.623 182 A CB -1.127 17.700 19.000 -0.289 0.000 0.818 182 A HN 0.500 nan 8.150 nan 0.000 0.443 183 A N -0.592 122.103 122.820 -0.208 0.000 1.877 183 A HA -0.015 4.306 4.320 0.001 0.000 0.216 183 A C 2.249 179.738 177.584 -0.159 0.000 1.186 183 A CA 1.864 53.812 52.037 -0.148 0.000 0.620 183 A CB -0.971 17.952 19.000 -0.129 0.000 0.822 183 A HN 0.394 nan 8.150 nan 0.000 0.443 184 V N 0.207 120.010 119.914 -0.185 0.000 2.295 184 V HA -0.234 3.887 4.120 0.001 0.000 0.246 184 V C 2.688 178.649 176.094 -0.221 0.000 1.049 184 V CA 2.343 64.526 62.300 -0.196 0.000 1.024 184 V CB -0.829 30.886 31.823 -0.180 0.000 0.648 184 V HN 0.669 nan 8.190 nan 0.000 0.447 185 R N 1.636 122.025 120.500 -0.184 0.000 2.105 185 R HA -0.112 4.229 4.340 0.001 0.000 0.239 185 R C 2.134 178.357 176.300 -0.129 0.000 1.135 185 R CA 1.963 57.987 56.100 -0.127 0.000 0.967 185 R CB -1.390 28.903 30.300 -0.011 0.000 0.861 185 R HN 0.440 nan 8.270 nan 0.000 0.442 186 G N -0.214 108.516 108.800 -0.116 0.000 2.498 186 G HA2 -0.168 3.793 3.960 0.001 0.000 0.219 186 G HA3 -0.168 3.793 3.960 0.001 0.000 0.219 186 G C 0.880 175.689 174.900 -0.152 0.000 1.119 186 G CA 0.628 45.666 45.100 -0.105 0.000 0.766 186 G HN 0.365 nan 8.290 nan 0.000 0.552 187 E N -0.316 119.761 120.200 -0.205 0.000 2.498 187 E HA 0.132 4.483 4.350 0.001 0.000 0.203 187 E C 1.828 178.186 176.600 -0.402 0.000 1.013 187 E CA -0.032 56.219 56.400 -0.248 0.000 0.927 187 E CB 0.467 30.048 29.700 -0.198 0.000 1.012 187 E HN 0.766 nan 8.360 nan 0.000 0.482 188 I N -3.646 116.657 120.570 -0.444 0.000 3.936 188 I HA 0.449 4.620 4.170 0.001 0.000 0.330 188 I C 1.001 176.885 176.117 -0.387 0.000 1.509 188 I CA -0.099 60.857 61.300 -0.573 0.000 1.126 188 I CB 0.287 37.851 38.000 -0.728 0.000 1.115 188 I HN -0.023 nan 8.210 nan 0.000 0.424 189 G N 3.818 112.423 108.800 -0.324 0.000 2.629 189 G HA2 -0.438 3.523 3.960 0.001 0.000 0.313 189 G HA3 -0.438 3.523 3.960 0.001 0.000 0.313 189 G C 0.343 175.213 174.900 -0.050 0.000 1.217 189 G CA 1.056 46.066 45.100 -0.151 0.000 0.994 189 G HN 0.736 nan 8.290 nan 0.000 0.549 190 D N 1.352 121.767 120.400 0.025 0.000 2.368 190 D HA 0.594 5.235 4.640 0.001 0.000 0.218 190 D C 1.213 177.565 176.300 0.087 0.000 1.112 190 D CA 0.964 54.992 54.000 0.046 0.000 0.834 190 D CB -0.381 40.448 40.800 0.050 0.000 0.953 190 D HN 1.019 nan 8.370 nan 0.000 0.505 191 A N 0.815 123.716 122.820 0.134 0.000 2.492 191 A HA 0.219 4.540 4.320 0.001 0.000 0.236 191 A C 0.500 178.192 177.584 0.179 0.000 1.078 191 A CA -0.330 51.834 52.037 0.210 0.000 0.773 191 A CB 0.090 19.328 19.000 0.396 0.000 1.023 191 A HN 0.201 nan 8.150 nan 0.000 0.504 192 R N -0.540 120.076 120.500 0.192 0.000 2.522 192 R HA 0.303 4.644 4.340 0.001 0.000 0.284 192 R C -0.738 175.670 176.300 0.180 0.000 1.032 192 R CA -0.032 56.151 56.100 0.137 0.000 1.049 192 R CB 0.177 30.533 30.300 0.092 0.000 0.956 192 R HN 0.480 nan 8.270 nan 0.000 0.422 193 L N 3.425 124.698 121.223 0.083 0.000 2.376 193 L HA 0.407 4.747 4.340 0.001 0.000 0.275 193 L C -0.845 175.985 176.870 -0.068 0.000 0.987 193 L CA -0.328 54.549 54.840 0.061 0.000 0.828 193 L CB 1.494 43.571 42.059 0.031 0.000 1.249 193 L HN 0.522 nan 8.230 nan 0.000 0.409 194 R N 5.368 125.794 120.500 -0.124 0.000 2.514 194 R HA 0.744 5.085 4.340 0.001 0.000 0.301 194 R C -1.298 174.832 176.300 -0.283 0.000 0.962 194 R CA -0.770 55.129 56.100 -0.335 0.000 0.882 194 R CB 1.742 31.728 30.300 -0.523 0.000 1.143 194 R HN 0.574 nan 8.270 nan 0.000 0.452 195 L N 1.610 122.707 121.223 -0.210 0.000 2.329 195 L HA 0.386 4.726 4.340 0.001 0.000 0.279 195 L C -0.583 176.162 176.870 -0.208 0.000 1.014 195 L CA -0.906 53.810 54.840 -0.207 0.000 0.814 195 L CB 1.767 43.794 42.059 -0.052 0.000 1.257 195 L HN 0.512 nan 8.230 nan 0.000 0.424 196 D N 1.815 122.011 120.400 -0.340 0.000 2.392 196 D HA 0.420 5.061 4.640 0.001 0.000 0.228 196 D C 0.455 176.620 176.300 -0.226 0.000 1.074 196 D CA -0.374 53.504 54.000 -0.203 0.000 0.838 196 D CB 2.107 42.809 40.800 -0.163 0.000 1.067 196 D HN 0.573 nan 8.370 nan 0.000 0.511 197 A N 4.237 126.867 122.820 -0.315 0.000 2.208 197 A HA 0.022 4.343 4.320 0.001 0.000 0.209 197 A C 1.192 178.512 177.584 -0.439 0.000 1.161 197 A CA 0.252 51.897 52.037 -0.653 0.000 0.782 197 A CB -0.588 17.757 19.000 -1.093 0.000 0.816 197 A HN 0.705 nan 8.150 nan 0.000 0.477 198 N N 0.573 119.157 118.700 -0.194 0.000 2.707 198 N HA -0.232 4.509 4.740 0.001 0.000 0.253 198 N C -0.051 175.390 175.510 -0.116 0.000 0.998 198 N CA 1.278 54.280 53.050 -0.079 0.000 0.751 198 N CB -1.819 36.667 38.487 -0.002 0.000 0.920 198 N HN 0.692 nan 8.380 nan 0.000 0.539 199 E N -3.791 116.316 120.200 -0.155 0.000 3.065 199 E HA -0.259 4.092 4.350 0.001 0.000 0.277 199 E C 1.087 177.616 176.600 -0.119 0.000 1.008 199 E CA 0.799 57.121 56.400 -0.130 0.000 0.864 199 E CB -1.588 28.045 29.700 -0.112 0.000 1.439 199 E HN 0.677 nan 8.360 nan 0.000 0.445 200 G N -0.707 107.949 108.800 -0.240 0.000 2.920 200 G HA2 -0.024 3.936 3.960 0.001 0.000 0.208 200 G HA3 -0.024 3.936 3.960 0.001 0.000 0.208 200 G C -0.015 174.874 174.900 -0.018 0.000 1.159 200 G CA -0.061 44.928 45.100 -0.185 0.000 0.784 200 G HN 0.095 nan 8.290 nan 0.000 0.535 201 W N 0.996 122.291 121.300 -0.008 0.000 2.666 201 W HA 0.588 5.249 4.660 0.001 0.000 0.334 201 W C 0.531 177.036 176.519 -0.024 0.000 1.051 201 W CA -1.821 55.508 57.345 -0.027 0.000 1.224 201 W CB 0.810 30.245 29.460 -0.042 0.000 1.405 201 W HN 0.061 nan 8.180 nan 0.000 0.513 202 S N -0.012 115.811 115.700 0.204 0.000 2.634 202 S HA 0.236 4.707 4.470 0.001 0.000 0.261 202 S C 0.834 175.482 174.600 0.080 0.000 1.271 202 S CA -0.574 57.699 58.200 0.122 0.000 0.985 202 S CB 0.956 64.232 63.200 0.127 0.000 0.968 202 S HN 0.245 nan 8.310 nan 0.000 0.568 203 V N 2.111 122.049 119.914 0.040 0.000 2.255 203 V HA -0.227 3.894 4.120 0.001 0.000 0.247 203 V C 2.700 178.788 176.094 -0.010 0.000 1.051 203 V CA 2.320 64.595 62.300 -0.042 0.000 1.018 203 V CB -1.485 30.210 31.823 -0.213 0.000 0.641 203 V HN 1.087 nan 8.190 nan 0.000 0.445 204 H N -0.739 118.295 119.070 -0.060 0.000 2.462 204 H HA -0.109 4.448 4.556 0.001 0.000 0.292 204 H C 1.672 176.946 175.328 -0.091 0.000 1.049 204 H CA 1.626 57.641 56.048 -0.054 0.000 1.334 204 H CB -0.289 29.453 29.762 -0.033 0.000 1.404 204 H HN 0.376 nan 8.280 nan 0.000 0.544 205 D N 1.357 121.366 120.400 -0.652 0.000 2.149 205 D HA 0.015 4.656 4.640 0.001 0.000 0.201 205 D C 2.361 178.302 176.300 -0.597 0.000 0.972 205 D CA 1.376 54.980 54.000 -0.661 0.000 0.835 205 D CB -0.233 40.265 40.800 -0.503 0.000 0.966 205 D HN 0.530 nan 8.370 nan 0.000 0.476 206 A N 0.779 123.415 122.820 -0.306 0.000 1.902 206 A HA -0.133 4.187 4.320 0.001 0.000 0.217 206 A C 2.348 179.804 177.584 -0.213 0.000 1.181 206 A CA 0.878 52.812 52.037 -0.171 0.000 0.623 206 A CB -0.688 18.433 19.000 0.201 0.000 0.818 206 A HN 0.178 nan 8.150 nan 0.000 0.443 207 I N 0.054 120.547 120.570 -0.129 0.000 2.179 207 I HA -0.199 3.972 4.170 0.001 0.000 0.242 207 I C 0.926 176.962 176.117 -0.134 0.000 1.088 207 I CA 0.426 61.682 61.300 -0.074 0.000 1.357 207 I CB -0.560 37.436 38.000 -0.006 0.000 1.051 207 I HN 0.298 nan 8.210 nan 0.000 0.409 211 R N 1.957 122.424 120.500 -0.055 0.000 2.081 211 R HA -0.066 4.274 4.340 0.001 0.000 0.235 211 R C 1.717 177.992 176.300 -0.041 0.000 1.131 211 R CA 1.662 57.737 56.100 -0.041 0.000 0.960 211 R CB -0.094 30.177 30.300 -0.048 0.000 0.856 211 R HN 0.533 nan 8.270 nan 0.000 0.436 212 K N 0.040 120.410 120.400 -0.050 0.000 2.365 212 K HA -0.025 4.296 4.320 0.001 0.000 0.199 212 K C 1.792 178.415 176.600 0.038 0.000 1.045 212 K CA 0.706 56.978 56.287 -0.025 0.000 0.962 212 K CB 0.168 32.649 32.500 -0.032 0.000 0.759 212 K HN 0.257 nan 8.250 nan 0.000 0.469 213 L N 0.447 121.713 121.223 0.070 0.000 2.477 213 L HA 0.011 4.351 4.340 0.001 0.000 0.220 213 L C 1.823 178.772 176.870 0.132 0.000 1.106 213 L CA 0.320 55.282 54.840 0.203 0.000 0.851 213 L CB -0.037 42.137 42.059 0.192 0.000 0.994 213 L HN 0.140 nan 8.230 nan 0.000 0.462 214 E N 1.273 121.490 120.200 0.029 0.000 2.097 214 E HA -0.287 4.064 4.350 0.001 0.000 0.196 214 E C 1.899 178.457 176.600 -0.070 0.000 1.000 214 E CA 1.663 58.063 56.400 -0.000 0.000 0.804 214 E CB -0.072 29.619 29.700 -0.016 0.000 0.740 214 E HN 0.514 nan 8.360 nan 0.000 0.454 215 K N 0.113 120.386 120.400 -0.211 0.000 2.442 215 K HA -0.173 4.148 4.320 0.001 0.000 0.199 215 K C 0.768 177.110 176.600 -0.429 0.000 1.044 215 K CA 1.287 57.360 56.287 -0.357 0.000 0.941 215 K CB -0.173 32.017 32.500 -0.517 0.000 0.759 215 K HN 0.216 nan 8.250 nan 0.000 0.472 216 Y N 1.422 121.716 120.300 -0.010 0.000 2.468 216 Y HA 0.121 4.672 4.550 0.001 0.000 0.268 216 Y C -0.473 175.420 175.900 -0.012 0.000 1.177 216 Y CA -0.781 57.309 58.100 -0.017 0.000 1.265 216 Y CB -0.070 38.378 38.460 -0.020 0.000 1.103 216 Y HN 0.173 nan 8.280 nan 0.000 0.522 217 D N 1.058 121.505 120.400 0.079 0.000 3.133 217 D HA -0.170 4.471 4.640 0.001 0.000 0.239 217 D C -1.007 175.337 176.300 0.073 0.000 1.136 217 D CA 0.252 54.288 54.000 0.061 0.000 0.898 217 D CB -0.770 40.058 40.800 0.047 0.000 0.959 217 D HN 0.028 nan 8.370 nan 0.000 0.415 218 I N 2.242 122.858 120.570 0.078 0.000 2.325 218 I HA 0.134 4.305 4.170 0.001 0.000 0.291 218 I C 1.839 177.989 176.117 0.055 0.000 1.019 218 I CA -0.188 61.150 61.300 0.063 0.000 1.302 218 I CB 1.236 39.291 38.000 0.092 0.000 1.401 218 I HN 0.397 nan 8.210 nan 0.000 0.485 219 E N 6.109 126.308 120.200 -0.002 0.000 2.051 219 E HA -0.137 4.213 4.350 0.001 0.000 0.192 219 E C -0.484 176.205 176.600 0.149 0.000 0.991 219 E CA 1.367 57.777 56.400 0.015 0.000 0.799 219 E CB 0.386 30.025 29.700 -0.101 0.000 0.748 219 E HN 0.548 nan 8.360 nan 0.000 0.449 220 F N -2.075 117.929 119.950 0.092 0.000 2.799 220 F HA 0.475 5.003 4.527 0.001 0.000 0.316 220 F C -1.661 174.189 175.800 0.083 0.000 1.155 220 F CA -1.403 56.649 58.000 0.086 0.000 0.916 220 F CB 0.720 39.770 39.000 0.083 0.000 1.294 220 F HN -0.288 nan 8.300 nan 0.000 0.447 221 I N 1.729 122.601 120.570 0.503 0.000 2.406 221 I HA 0.360 4.530 4.170 0.001 0.000 0.290 221 I C -0.713 175.595 176.117 0.319 0.000 0.999 221 I CA -0.607 60.896 61.300 0.339 0.000 1.124 221 I CB 1.938 40.091 38.000 0.254 0.000 1.289 221 I HN 0.730 nan 8.210 nan 0.000 0.441 222 E N 5.218 125.589 120.200 0.285 0.000 2.227 222 E HA 0.145 4.495 4.350 0.001 0.000 0.282 222 E C -0.377 176.249 176.600 0.044 0.000 1.015 222 E CA -0.595 55.913 56.400 0.181 0.000 0.823 222 E CB 0.816 30.722 29.700 0.343 0.000 1.081 222 E HN 0.431 nan 8.360 nan 0.000 0.396 223 Q N 3.715 123.516 119.800 0.001 0.000 2.429 223 Q HA -0.171 4.170 4.340 0.001 0.000 0.365 223 Q C -2.006 173.945 176.000 -0.083 0.000 1.384 223 Q CA 0.641 56.419 55.803 -0.042 0.000 1.089 223 Q CB -0.228 28.476 28.738 -0.057 0.000 1.264 223 Q HN 0.489 nan 8.270 nan 0.000 0.342 224 P HA -0.103 nan 4.420 nan 0.000 0.219 224 P C 0.342 177.643 177.300 0.002 0.000 1.150 224 P CA 1.538 64.613 63.100 -0.042 0.000 0.814 224 P CB 0.136 31.981 31.700 0.242 0.000 0.787 225 T N -3.095 111.472 114.554 0.021 0.000 2.948 225 T HA 0.360 4.710 4.350 0.001 0.000 0.285 225 T C 0.038 174.712 174.700 -0.043 0.000 1.019 225 T CA -0.985 61.129 62.100 0.023 0.000 1.013 225 T CB 1.279 70.171 68.868 0.040 0.000 1.117 225 T HN -0.105 nan 8.240 nan 0.000 0.533 226 V N 3.077 122.974 119.914 -0.028 0.000 2.539 226 V HA 0.061 4.181 4.120 0.001 0.000 0.300 226 V C 1.726 177.693 176.094 -0.212 0.000 1.019 226 V CA 1.018 63.260 62.300 -0.096 0.000 1.160 226 V CB -0.194 31.655 31.823 0.043 0.000 0.901 226 V HN 1.206 nan 8.190 nan 0.000 0.481 227 S N 5.275 120.702 115.700 -0.454 0.000 2.419 227 S HA -0.213 4.257 4.470 0.001 0.000 0.235 227 S C 1.176 175.542 174.600 -0.389 0.000 1.019 227 S CA 1.731 59.641 58.200 -0.484 0.000 0.982 227 S CB -0.706 62.109 63.200 -0.643 0.000 0.789 227 S HN 0.920 nan 8.310 nan 0.000 0.490 228 W N 1.865 123.176 121.300 0.017 0.000 2.465 228 W HA 0.298 4.959 4.660 0.002 0.000 0.268 228 W C 1.432 177.964 176.519 0.022 0.000 1.242 228 W CA 0.261 57.612 57.345 0.009 0.000 1.248 228 W CB -0.326 29.137 29.460 0.005 0.000 1.118 228 W HN 0.273 nan 8.180 nan 0.000 0.587 229 S N 1.048 116.846 115.700 0.163 0.000 2.474 229 S HA 0.291 4.761 4.470 0.001 0.000 0.320 229 S C 0.847 175.491 174.600 0.074 0.000 1.067 229 S CA -0.618 57.656 58.200 0.123 0.000 1.127 229 S CB 0.081 63.352 63.200 0.119 0.000 0.971 229 S HN 0.122 nan 8.310 nan 0.000 0.472 230 I N 5.716 126.329 120.570 0.073 0.000 2.315 230 I HA -0.017 4.154 4.170 0.001 0.000 0.248 230 I C -0.856 175.294 176.117 0.056 0.000 1.117 230 I CA 0.649 61.979 61.300 0.051 0.000 1.404 230 I CB -0.917 37.112 38.000 0.048 0.000 1.071 230 I HN 0.467 nan 8.210 nan 0.000 0.419 231 P HA -0.124 nan 4.420 nan 0.000 0.215 231 P C 0.651 178.019 177.300 0.113 0.000 1.153 231 P CA 1.208 64.356 63.100 0.081 0.000 0.853 231 P CB -0.039 31.710 31.700 0.082 0.000 0.788 235 H N 0.369 119.458 119.070 0.031 0.000 2.319 235 H HA -0.124 4.432 4.556 0.001 0.000 0.299 235 H C 1.887 177.239 175.328 0.041 0.000 1.092 235 H CA 2.445 58.514 56.048 0.035 0.000 1.302 235 H CB 0.203 29.990 29.762 0.042 0.000 1.373 235 H HN 0.210 nan 8.280 nan 0.000 0.497 236 V N 0.933 120.983 119.914 0.227 0.000 2.307 236 V HA -0.225 3.895 4.120 0.001 0.000 0.245 236 V C 2.625 178.794 176.094 0.126 0.000 1.045 236 V CA 2.031 64.421 62.300 0.150 0.000 1.024 236 V CB -0.658 31.222 31.823 0.095 0.000 0.651 236 V HN 0.421 nan 8.190 nan 0.000 0.449 237 R N 0.357 120.918 120.500 0.102 0.000 2.096 237 R HA -0.240 4.101 4.340 0.001 0.000 0.240 237 R C 2.248 178.588 176.300 0.066 0.000 1.139 237 R CA 2.272 58.417 56.100 0.075 0.000 0.952 237 R CB -0.285 30.046 30.300 0.051 0.000 0.854 237 R HN 0.614 nan 8.270 nan 0.000 0.436 238 E N -0.379 119.860 120.200 0.065 0.000 2.265 238 E HA -0.202 4.149 4.350 0.001 0.000 0.196 238 E C 1.735 178.363 176.600 0.047 0.000 0.996 238 E CA 0.944 57.370 56.400 0.043 0.000 0.832 238 E CB 0.117 29.830 29.700 0.022 0.000 0.756 238 E HN 0.104 nan 8.360 nan 0.000 0.491 239 K N 0.909 121.354 120.400 0.075 0.000 2.202 239 K HA -0.018 4.303 4.320 0.001 0.000 0.201 239 K C 0.683 177.318 176.600 0.057 0.000 1.051 239 K CA 0.301 56.630 56.287 0.070 0.000 0.977 239 K CB 0.137 32.703 32.500 0.111 0.000 0.792 239 K HN 0.036 nan 8.250 nan 0.000 0.469 240 V N -0.976 118.976 119.914 0.065 0.000 2.953 240 V HA 0.522 4.643 4.120 0.001 0.000 0.304 240 V C 1.101 177.227 176.094 0.052 0.000 1.073 240 V CA -0.007 62.326 62.300 0.056 0.000 1.064 240 V CB 1.230 33.095 31.823 0.070 0.000 1.047 240 V HN 0.170 nan 8.190 nan 0.000 0.478 241 G N 2.307 111.135 108.800 0.046 0.000 2.777 241 G HA2 0.231 4.192 3.960 0.001 0.000 0.211 241 G HA3 0.231 4.192 3.960 0.001 0.000 0.211 241 G C 0.499 175.435 174.900 0.061 0.000 1.149 241 G CA -0.172 44.955 45.100 0.045 0.000 0.785 241 G HN 0.661 nan 8.290 nan 0.000 0.536 242 I N 1.512 122.129 120.570 0.079 0.000 2.353 242 I HA 0.260 4.431 4.170 0.001 0.000 0.293 242 I C -2.206 173.986 176.117 0.125 0.000 0.992 242 I CA -2.275 59.090 61.300 0.108 0.000 1.268 242 I CB 1.986 40.063 38.000 0.129 0.000 1.387 242 I HN -0.155 nan 8.210 nan 0.000 0.478 243 P HA 0.093 nan 4.420 nan 0.000 0.267 243 P C -0.901 176.483 177.300 0.140 0.000 1.200 243 P CA 0.091 63.268 63.100 0.129 0.000 0.772 243 P CB 0.453 32.244 31.700 0.152 0.000 0.855 244 I N 2.649 123.256 120.570 0.062 0.000 2.406 244 I HA 0.269 4.440 4.170 0.001 0.000 0.290 244 I C -0.201 175.863 176.117 -0.087 0.000 0.999 244 I CA -0.691 60.630 61.300 0.034 0.000 1.124 244 I CB 1.591 39.621 38.000 0.050 0.000 1.289 244 I HN 0.017 nan 8.210 nan 0.000 0.441 245 V N 5.296 125.106 119.914 -0.173 0.000 2.459 245 V HA 0.627 4.748 4.120 0.001 0.000 0.295 245 V C 0.546 176.543 176.094 -0.162 0.000 1.029 245 V CA -0.789 61.325 62.300 -0.310 0.000 0.874 245 V CB 1.737 33.091 31.823 -0.781 0.000 0.985 245 V HN 0.874 nan 8.190 nan 0.000 0.438 246 A N 2.941 125.678 122.820 -0.139 0.000 2.354 246 A HA 0.559 4.879 4.320 0.001 0.000 0.269 246 A C 0.210 177.726 177.584 -0.113 0.000 1.109 246 A CA 0.022 52.000 52.037 -0.098 0.000 0.800 246 A CB 0.701 19.654 19.000 -0.078 0.000 1.045 246 A HN 0.908 nan 8.150 nan 0.000 0.489 247 D N 0.050 120.383 120.400 -0.112 0.000 3.041 247 D HA 0.033 4.674 4.640 0.001 0.000 0.201 247 D C 1.447 177.623 176.300 -0.207 0.000 1.432 247 D CA 0.338 54.227 54.000 -0.184 0.000 1.469 247 D CB -0.300 40.419 40.800 -0.135 0.000 1.051 247 D HN 0.411 nan 8.370 nan 0.000 0.203 248 Q N 0.480 120.185 119.800 -0.160 0.000 2.368 248 Q HA 0.129 4.469 4.340 0.001 0.000 0.210 248 Q C 1.741 177.767 176.000 0.044 0.000 0.982 248 Q CA 1.401 57.197 55.803 -0.012 0.000 0.884 248 Q CB -0.237 28.461 28.738 -0.067 0.000 0.933 248 Q HN 0.357 nan 8.270 nan 0.000 0.460 249 A N 0.294 123.085 122.820 -0.047 0.000 2.067 249 A HA 0.225 4.545 4.320 0.001 0.000 0.219 249 A C 1.103 178.729 177.584 0.071 0.000 1.158 249 A CA 0.925 52.947 52.037 -0.025 0.000 0.661 249 A CB -0.057 18.918 19.000 -0.042 0.000 0.801 249 A HN 0.253 nan 8.150 nan 0.000 0.452 250 A N -1.395 121.469 122.820 0.072 0.000 2.394 250 A HA 0.673 4.994 4.320 0.001 0.000 0.333 250 A C -0.032 177.619 177.584 0.110 0.000 1.397 250 A CA -0.498 51.584 52.037 0.076 0.000 0.884 250 A CB 0.074 19.059 19.000 -0.024 0.000 1.147 250 A HN 0.220 nan 8.150 nan 0.000 0.505 251 F N 0.945 120.881 119.950 -0.023 0.000 2.536 251 F HA 0.121 4.649 4.527 0.002 0.000 0.278 251 F C 1.917 177.722 175.800 0.008 0.000 0.945 251 F CA 1.534 59.527 58.000 -0.012 0.000 1.244 251 F CB -0.016 38.997 39.000 0.022 0.000 1.118 251 F HN 0.520 nan 8.300 nan 0.000 0.725 252 T N -1.145 113.564 114.554 0.258 0.000 2.862 252 T HA 0.267 4.618 4.350 0.001 0.000 0.276 252 T C 1.040 175.794 174.700 0.089 0.000 0.974 252 T CA -0.474 61.732 62.100 0.177 0.000 0.966 252 T CB 1.135 70.162 68.868 0.263 0.000 1.072 252 T HN 0.096 nan 8.240 nan 0.000 0.538 253 L N 0.337 121.554 121.223 -0.009 0.000 2.083 253 L HA 0.022 4.363 4.340 0.001 0.000 0.209 253 L C 2.156 178.907 176.870 -0.199 0.000 1.083 253 L CA 1.670 56.400 54.840 -0.183 0.000 0.752 253 L CB -1.222 40.604 42.059 -0.389 0.000 0.899 253 L HN 0.801 nan 8.230 nan 0.000 0.433 254 Y N -0.388 119.959 120.300 0.079 0.000 2.263 254 Y HA -0.157 4.394 4.550 0.001 0.000 0.292 254 Y C 2.423 178.413 175.900 0.150 0.000 1.130 254 Y CA 1.231 59.403 58.100 0.120 0.000 1.179 254 Y CB -0.602 37.913 38.460 0.093 0.000 0.998 254 Y HN 0.244 nan 8.280 nan 0.000 0.532 255 D N -0.276 120.270 120.400 0.245 0.000 2.097 255 D HA -0.152 4.489 4.640 0.001 0.000 0.195 255 D C 2.381 178.750 176.300 0.116 0.000 0.989 255 D CA 1.366 55.471 54.000 0.175 0.000 0.827 255 D CB -0.501 40.400 40.800 0.168 0.000 0.966 255 D HN 0.159 nan 8.370 nan 0.000 0.456 256 V N 0.865 120.831 119.914 0.087 0.000 2.287 256 V HA -0.289 3.831 4.120 0.001 0.000 0.248 256 V C 2.277 178.410 176.094 0.065 0.000 1.053 256 V CA 1.528 63.854 62.300 0.042 0.000 1.027 256 V CB -0.695 31.133 31.823 0.008 0.000 0.646 256 V HN 0.169 nan 8.190 nan 0.000 0.447 257 Y N 1.135 121.421 120.300 -0.024 0.000 2.181 257 Y HA -0.206 4.344 4.550 0.001 0.000 0.288 257 Y C 2.625 178.535 175.900 0.017 0.000 1.146 257 Y CA 1.906 59.996 58.100 -0.015 0.000 1.164 257 Y CB -0.192 38.255 38.460 -0.021 0.000 0.982 257 Y HN 0.241 nan 8.280 nan 0.000 0.515 258 E N 0.396 120.606 120.200 0.016 0.000 2.077 258 E HA -0.201 4.150 4.350 0.001 0.000 0.193 258 E C 2.392 178.936 176.600 -0.092 0.000 0.989 258 E CA 1.658 58.023 56.400 -0.058 0.000 0.800 258 E CB -0.496 29.245 29.700 0.069 0.000 0.746 258 E HN 0.604 nan 8.360 nan 0.000 0.452 259 I N 0.441 120.984 120.570 -0.045 0.000 2.226 259 I HA -0.323 3.848 4.170 0.001 0.000 0.245 259 I C 2.539 178.605 176.117 -0.085 0.000 1.100 259 I CA 0.813 62.084 61.300 -0.048 0.000 1.374 259 I CB -0.293 37.690 38.000 -0.029 0.000 1.057 259 I HN 0.119 nan 8.210 nan 0.000 0.413 260 C N 0.964 120.193 119.300 -0.118 0.000 2.436 260 C HA -0.158 4.303 4.460 0.001 0.000 0.277 260 C C 2.952 177.835 174.990 -0.179 0.000 1.241 260 C CA 1.280 60.218 59.018 -0.133 0.000 1.721 260 C CB -1.249 26.418 27.740 -0.121 0.000 2.043 260 C HN 0.537 nan 8.230 nan 0.000 0.472 261 R N 1.090 121.402 120.500 -0.313 0.000 2.189 261 R HA -0.113 4.228 4.340 0.001 0.000 0.223 261 R C 1.451 177.659 176.300 -0.154 0.000 1.092 261 R CA 1.559 57.489 56.100 -0.282 0.000 0.989 261 R CB -0.487 29.536 30.300 -0.461 0.000 0.876 261 R HN 0.611 nan 8.270 nan 0.000 0.457 262 Q N 0.401 120.126 119.800 -0.124 0.000 2.319 262 Q HA 0.187 4.527 4.340 0.001 0.000 0.202 262 Q C -0.393 175.578 176.000 -0.048 0.000 0.896 262 Q CA -0.440 55.324 55.803 -0.066 0.000 0.942 262 Q CB 0.702 29.414 28.738 -0.042 0.000 1.083 262 Q HN 0.157 nan 8.270 nan 0.000 0.510 263 R N -0.604 119.861 120.500 -0.060 0.000 3.301 263 R HA -0.227 4.114 4.340 0.001 0.000 0.249 263 R C 0.470 176.754 176.300 -0.027 0.000 0.964 263 R CA 0.788 56.863 56.100 -0.043 0.000 0.653 263 R CB -2.571 27.710 30.300 -0.032 0.000 1.043 263 R HN 0.409 nan 8.270 nan 0.000 0.454 264 A N -0.923 121.880 122.820 -0.028 0.000 2.167 264 A HA 0.473 4.793 4.320 0.001 0.000 0.214 264 A C 0.965 178.541 177.584 -0.014 0.000 1.151 264 A CA 1.156 53.187 52.037 -0.010 0.000 0.735 264 A CB 0.342 19.338 19.000 -0.006 0.000 0.802 264 A HN 0.717 nan 8.150 nan 0.000 0.467 265 A N -0.849 121.952 122.820 -0.032 0.000 2.609 265 A HA 0.597 4.918 4.320 0.001 0.000 0.291 265 A C -1.448 176.103 177.584 -0.056 0.000 1.096 265 A CA -0.747 51.263 52.037 -0.046 0.000 0.684 265 A CB 0.729 19.688 19.000 -0.069 0.000 1.282 265 A HN 0.103 nan 8.150 nan 0.000 0.412 269 C N 7.935 127.156 119.300 -0.132 0.000 2.223 269 C HA 0.818 5.278 4.460 0.001 0.000 0.324 269 C C -0.253 174.658 174.990 -0.132 0.000 1.196 269 C CA -0.280 58.677 59.018 -0.102 0.000 1.628 269 C CB -0.622 27.089 27.740 -0.049 0.000 2.229 269 C HN 0.679 nan 8.230 nan 0.000 0.486 270 I N 4.709 125.212 120.570 -0.113 0.000 2.894 270 I HA 0.789 4.960 4.170 0.001 0.000 0.302 270 I C -0.025 176.028 176.117 -0.106 0.000 1.188 270 I CA -0.058 61.150 61.300 -0.154 0.000 1.014 270 I CB 2.270 40.177 38.000 -0.154 0.000 1.242 270 I HN 0.722 nan 8.210 nan 0.000 0.430 271 G N 4.359 113.084 108.800 -0.124 0.000 2.730 271 G HA2 0.517 4.478 3.960 0.001 0.000 0.289 271 G HA3 0.517 4.478 3.960 0.001 0.000 0.289 271 G C -2.542 172.291 174.900 -0.112 0.000 1.341 271 G CA -0.985 44.054 45.100 -0.101 0.000 0.932 271 G HN 0.387 nan 8.290 nan 0.000 0.481 272 P HA -0.216 nan 4.420 nan 0.000 0.216 272 P C 1.557 178.825 177.300 -0.054 0.000 1.150 272 P CA 0.772 63.842 63.100 -0.051 0.000 0.843 272 P CB 0.206 31.896 31.700 -0.017 0.000 0.787 273 R N 0.994 121.447 120.500 -0.078 0.000 2.105 273 R HA -0.169 4.171 4.340 0.001 0.000 0.239 273 R C 1.777 178.019 176.300 -0.097 0.000 1.135 273 R CA 1.840 57.896 56.100 -0.072 0.000 0.967 273 R CB -0.395 29.849 30.300 -0.094 0.000 0.861 273 R HN 0.192 nan 8.270 nan 0.000 0.442 274 E N -0.174 119.879 120.200 -0.245 0.000 2.086 274 E HA -0.059 4.292 4.350 0.001 0.000 0.190 274 E C 1.699 178.240 176.600 -0.098 0.000 0.975 274 E CA 0.847 57.001 56.400 -0.410 0.000 0.813 274 E CB -0.124 28.965 29.700 -1.019 0.000 0.768 274 E HN 0.211 nan 8.360 nan 0.000 0.457 275 I N -0.734 119.777 120.570 -0.098 0.000 3.226 275 I HA 0.192 4.363 4.170 0.001 0.000 0.277 275 I C 0.990 177.098 176.117 -0.015 0.000 1.243 275 I CA 0.946 62.223 61.300 -0.038 0.000 1.459 275 I CB 0.428 38.389 38.000 -0.066 0.000 1.093 275 I HN 0.218 nan 8.210 nan 0.000 0.453 276 G N -0.076 108.725 108.800 0.001 0.000 2.145 276 G HA2 0.198 4.159 3.960 0.001 0.000 0.176 276 G HA3 0.198 4.159 3.960 0.001 0.000 0.176 276 G C 0.592 175.526 174.900 0.057 0.000 1.013 276 G CA -0.271 44.855 45.100 0.043 0.000 0.689 276 G HN 1.220 nan 8.290 nan 0.000 0.506 277 G N -1.475 107.347 108.800 0.036 0.000 2.316 277 G HA2 0.225 4.185 3.960 0.001 0.000 0.349 277 G HA3 0.225 4.185 3.960 0.001 0.000 0.349 277 G C 0.725 175.628 174.900 0.004 0.000 1.274 277 G CA -0.099 45.035 45.100 0.058 0.000 1.018 277 G HN 0.784 nan 8.290 nan 0.000 0.486 278 I N 0.107 120.673 120.570 -0.006 0.000 2.162 278 I HA -0.082 4.088 4.170 0.001 0.000 0.238 278 I C 2.890 178.875 176.117 -0.220 0.000 1.076 278 I CA 1.948 63.163 61.300 -0.142 0.000 1.353 278 I CB -0.310 37.521 38.000 -0.282 0.000 1.063 278 I HN 0.689 nan 8.210 nan 0.000 0.408 279 Q N 1.101 120.757 119.800 -0.239 0.000 2.096 279 Q HA -0.091 4.249 4.340 0.001 0.000 0.204 279 Q C -1.299 174.641 176.000 -0.100 0.000 0.982 279 Q CA 1.032 56.721 55.803 -0.191 0.000 0.850 279 Q CB -0.837 27.904 28.738 0.004 0.000 0.901 279 Q HN 0.321 nan 8.270 nan 0.000 0.422 284 A N 1.988 124.754 122.820 -0.089 0.000 1.902 284 A HA 0.044 4.365 4.320 0.001 0.000 0.217 284 A C 2.295 179.836 177.584 -0.072 0.000 1.181 284 A CA 2.141 54.130 52.037 -0.079 0.000 0.623 284 A CB -0.538 18.414 19.000 -0.079 0.000 0.818 284 A HN 0.342 nan 8.150 nan 0.000 0.443 285 A N -0.118 122.653 122.820 -0.081 0.000 1.933 285 A HA 0.158 4.479 4.320 0.001 0.000 0.218 285 A C 2.481 180.020 177.584 -0.076 0.000 1.175 285 A CA 2.047 54.033 52.037 -0.084 0.000 0.628 285 A CB -0.936 18.006 19.000 -0.097 0.000 0.814 285 A HN 1.013 nan 8.150 nan 0.000 0.444 286 A N -0.538 122.240 122.820 -0.070 0.000 1.877 286 A HA 0.012 4.332 4.320 0.001 0.000 0.216 286 A C 2.231 179.791 177.584 -0.040 0.000 1.186 286 A CA 1.748 53.750 52.037 -0.058 0.000 0.620 286 A CB -0.960 18.006 19.000 -0.056 0.000 0.822 286 A HN 0.382 nan 8.150 nan 0.000 0.443 287 V N -0.022 119.872 119.914 -0.033 0.000 2.287 287 V HA -0.275 3.846 4.120 0.001 0.000 0.248 287 V C 3.075 179.170 176.094 0.002 0.000 1.053 287 V CA 2.051 64.355 62.300 0.007 0.000 1.027 287 V CB -1.313 30.527 31.823 0.028 0.000 0.646 287 V HN 0.620 nan 8.190 nan 0.000 0.447 288 A N -0.392 122.413 122.820 -0.024 0.000 1.902 288 A HA -0.297 4.024 4.320 0.001 0.000 0.217 288 A C 2.298 179.858 177.584 -0.040 0.000 1.181 288 A CA 2.110 54.125 52.037 -0.037 0.000 0.623 288 A CB -0.562 18.405 19.000 -0.055 0.000 0.818 288 A HN 0.657 nan 8.150 nan 0.000 0.443 289 E N -0.083 120.089 120.200 -0.047 0.000 2.051 289 E HA -0.145 4.206 4.350 0.001 0.000 0.192 289 E C 2.080 178.661 176.600 -0.033 0.000 0.991 289 E CA 1.138 57.508 56.400 -0.050 0.000 0.799 289 E CB -0.296 29.366 29.700 -0.064 0.000 0.748 289 E HN 0.523 nan 8.360 nan 0.000 0.449 290 A N 0.792 123.600 122.820 -0.021 0.000 2.019 290 A HA -0.041 4.280 4.320 0.001 0.000 0.219 290 A C 2.165 179.746 177.584 -0.005 0.000 1.164 290 A CA 1.581 53.614 52.037 -0.006 0.000 0.644 290 A CB -0.439 18.568 19.000 0.011 0.000 0.805 290 A HN 0.378 nan 8.150 nan 0.000 0.449 291 A N -1.699 121.114 122.820 -0.011 0.000 2.307 291 A HA 0.448 4.768 4.320 0.001 0.000 0.218 291 A C 1.586 179.154 177.584 -0.027 0.000 1.228 291 A CA 0.957 52.981 52.037 -0.021 0.000 0.857 291 A CB -0.975 18.005 19.000 -0.033 0.000 0.897 291 A HN 1.840 nan 8.150 nan 0.000 0.495 292 G N -0.778 108.006 108.800 -0.026 0.000 2.176 292 G HA2 -0.215 3.745 3.960 0.001 0.000 0.252 292 G HA3 -0.215 3.745 3.960 0.001 0.000 0.252 292 G C -0.062 174.819 174.900 -0.033 0.000 1.024 292 G CA 0.668 45.751 45.100 -0.027 0.000 0.755 292 G HN 0.490 nan 8.290 nan 0.000 0.507 293 L N -1.332 119.867 121.223 -0.040 0.000 2.319 293 L HA 0.684 5.025 4.340 0.001 0.000 0.267 293 L C 0.581 177.417 176.870 -0.056 0.000 1.011 293 L CA -1.173 53.638 54.840 -0.048 0.000 0.818 293 L CB 1.812 43.838 42.059 -0.055 0.000 1.316 293 L HN -0.003 nan 8.230 nan 0.000 0.432 294 K N 0.955 121.318 120.400 -0.061 0.000 2.211 294 K HA 0.620 4.940 4.320 0.001 0.000 0.237 294 K C -1.113 175.438 176.600 -0.083 0.000 1.002 294 K CA -0.891 55.355 56.287 -0.069 0.000 0.885 294 K CB 1.937 34.404 32.500 -0.055 0.000 1.136 294 K HN 0.264 nan 8.250 nan 0.000 0.448 295 I N 1.095 121.612 120.570 -0.089 0.000 2.441 295 I HA 0.220 4.390 4.170 0.001 0.000 0.295 295 I C -0.379 175.677 176.117 -0.101 0.000 0.994 295 I CA -0.685 60.556 61.300 -0.098 0.000 1.144 295 I CB 1.396 39.335 38.000 -0.102 0.000 1.314 295 I HN 0.639 nan 8.210 nan 0.000 0.445 296 C N 7.539 126.777 119.300 -0.103 0.000 2.408 296 C HA 0.552 5.013 4.460 0.001 0.000 0.321 296 C C -0.088 174.830 174.990 -0.120 0.000 1.245 296 C CA -0.657 58.298 59.018 -0.105 0.000 1.523 296 C CB 0.395 28.099 27.740 -0.061 0.000 2.178 296 C HN 0.536 nan 8.230 nan 0.000 0.488 297 I N 6.470 126.945 120.570 -0.158 0.000 2.452 297 I HA 0.172 4.343 4.170 0.001 0.000 0.287 297 I C 0.832 176.848 176.117 -0.170 0.000 1.079 297 I CA 0.591 61.801 61.300 -0.149 0.000 1.387 297 I CB -0.137 37.773 38.000 -0.149 0.000 1.404 297 I HN 0.724 nan 8.210 nan 0.000 0.522 298 H N 5.701 124.638 119.070 -0.222 0.000 2.562 298 H HA 0.257 4.813 4.556 0.001 0.000 0.314 298 H C -0.251 174.922 175.328 -0.258 0.000 1.079 298 H CA 0.061 55.961 56.048 -0.247 0.000 1.349 298 H CB 1.603 31.228 29.762 -0.228 0.000 1.432 298 H HN 0.670 nan 8.280 nan 0.000 0.479 299 S N 2.718 117.985 115.700 -0.722 0.000 2.521 299 S HA 0.576 5.047 4.470 0.001 0.000 0.278 299 S C -0.564 173.621 174.600 -0.692 0.000 1.140 299 S CA 0.074 57.944 58.200 -0.549 0.000 1.028 299 S CB 0.603 63.547 63.200 -0.427 0.000 1.203 299 S HN 0.883 nan 8.310 nan 0.000 0.491 300 S N -0.564 114.798 115.700 -0.564 0.000 2.643 300 S HA 0.553 5.024 4.470 0.001 0.000 0.270 300 S C -1.491 172.701 174.600 -0.679 0.000 1.166 300 S CA -0.735 57.063 58.200 -0.671 0.000 0.815 300 S CB 0.135 63.086 63.200 -0.416 0.000 1.139 300 S HN 0.390 nan 8.310 nan 0.000 0.472 301 F N 2.743 122.309 119.950 -0.639 0.000 2.678 301 F HA 0.397 4.924 4.527 0.001 0.000 0.358 301 F C 1.490 176.750 175.800 -0.899 0.000 1.256 301 F CA -0.114 57.111 58.000 -1.291 0.000 1.278 301 F CB -1.034 36.858 39.000 -1.846 0.000 1.681 301 F HN 0.846 nan 8.300 nan 0.000 0.661 302 T N -3.333 111.053 114.554 -0.279 0.000 2.598 302 T HA 0.727 5.078 4.350 0.001 0.000 0.254 302 T C 0.376 175.127 174.700 0.085 0.000 0.889 302 T CA -0.332 61.722 62.100 -0.077 0.000 1.091 302 T CB 1.616 70.425 68.868 -0.098 0.000 1.437 302 T HN 0.210 nan 8.240 nan 0.000 0.542 303 T N -2.832 111.751 114.554 0.048 0.000 2.844 303 T HA 0.588 4.939 4.350 0.001 0.000 0.274 303 T C 1.691 176.415 174.700 0.040 0.000 0.991 303 T CA -0.069 62.075 62.100 0.074 0.000 0.983 303 T CB 0.668 69.541 68.868 0.009 0.000 1.310 303 T HN 0.888 nan 8.240 nan 0.000 0.596 304 G N -0.402 108.398 108.800 0.001 0.000 2.498 304 G HA2 -0.003 3.958 3.960 0.001 0.000 0.219 304 G HA3 -0.003 3.958 3.960 0.001 0.000 0.219 304 G C 1.351 176.087 174.900 -0.273 0.000 1.119 304 G CA 0.416 45.435 45.100 -0.135 0.000 0.766 304 G HN 0.712 nan 8.290 nan 0.000 0.552 305 I N 0.653 121.012 120.570 -0.351 0.000 2.142 305 I HA -0.167 4.003 4.170 0.001 0.000 0.240 305 I C 2.967 178.991 176.117 -0.156 0.000 1.078 305 I CA 1.466 62.459 61.300 -0.513 0.000 1.343 305 I CB -0.453 37.288 38.000 -0.433 0.000 1.046 305 I HN 0.068 nan 8.210 nan 0.000 0.405 306 T N 0.039 114.548 114.554 -0.074 0.000 2.788 306 T HA -0.170 4.181 4.350 0.001 0.000 0.268 306 T C 1.858 176.578 174.700 0.034 0.000 1.044 306 T CA 1.951 64.047 62.100 -0.006 0.000 1.139 306 T CB -0.348 68.499 68.868 -0.036 0.000 0.867 306 T HN 0.386 nan 8.240 nan 0.000 0.454 307 T N 1.252 115.817 114.554 0.019 0.000 2.684 307 T HA -0.160 4.191 4.350 0.001 0.000 0.267 307 T C 2.297 177.088 174.700 0.152 0.000 1.036 307 T CA 1.395 63.529 62.100 0.057 0.000 1.148 307 T CB -0.759 68.103 68.868 -0.011 0.000 0.863 307 T HN 0.467 nan 8.240 nan 0.000 0.436 308 C N 1.502 120.903 119.300 0.169 0.000 2.446 308 C HA 0.127 4.587 4.460 0.001 0.000 0.277 308 C C 3.230 178.501 174.990 0.470 0.000 1.275 308 C CA 0.202 59.449 59.018 0.382 0.000 1.727 308 C CB -1.486 26.537 27.740 0.471 0.000 2.010 308 C HN 0.665 nan 8.230 nan 0.000 0.486 309 A N 0.933 123.956 122.820 0.338 0.000 1.858 309 A HA -0.216 4.104 4.320 0.001 0.000 0.216 309 A C 1.995 179.713 177.584 0.224 0.000 1.190 309 A CA 1.795 54.006 52.037 0.291 0.000 0.617 309 A CB -0.639 18.474 19.000 0.189 0.000 0.827 309 A HN 0.708 nan 8.150 nan 0.000 0.443 310 E N -1.356 118.939 120.200 0.158 0.000 2.153 310 E HA -0.214 4.137 4.350 0.001 0.000 0.194 310 E C 2.001 178.671 176.600 0.116 0.000 0.988 310 E CA 0.980 57.438 56.400 0.097 0.000 0.811 310 E CB -0.333 29.402 29.700 0.059 0.000 0.746 310 E HN 0.809 nan 8.360 nan 0.000 0.466 311 H N 0.786 119.905 119.070 0.081 0.000 2.326 311 H HA -0.121 4.436 4.556 0.001 0.000 0.301 311 H C 1.929 177.184 175.328 -0.122 0.000 1.081 311 H CA 1.484 57.514 56.048 -0.030 0.000 1.334 311 H CB 0.119 29.817 29.762 -0.107 0.000 1.385 311 H HN 0.287 nan 8.280 nan 0.000 0.504 312 H N 0.241 119.416 119.070 0.176 0.000 2.423 312 H HA -0.077 4.480 4.556 0.001 0.000 0.297 312 H C 2.701 178.033 175.328 0.006 0.000 1.075 312 H CA 1.177 57.305 56.048 0.133 0.000 1.342 312 H CB 0.122 30.027 29.762 0.238 0.000 1.395 312 H HN 0.394 nan 8.280 nan 0.000 0.530 313 I N 0.173 120.796 120.570 0.087 0.000 2.226 313 I HA -0.173 3.998 4.170 0.001 0.000 0.245 313 I C 2.815 178.889 176.117 -0.071 0.000 1.100 313 I CA 1.174 62.468 61.300 -0.012 0.000 1.374 313 I CB -0.426 37.557 38.000 -0.028 0.000 1.057 313 I HN 0.220 nan 8.210 nan 0.000 0.413 314 G N 0.945 109.669 108.800 -0.126 0.000 2.418 314 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 314 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 314 G C 1.702 176.481 174.900 -0.201 0.000 1.158 314 G CA 0.523 45.506 45.100 -0.195 0.000 0.771 314 G HN 0.271 nan 8.290 nan 0.000 0.545 315 L N 0.579 121.640 121.223 -0.270 0.000 2.083 315 L HA -0.040 4.301 4.340 0.001 0.000 0.209 315 L C 3.240 180.078 176.870 -0.053 0.000 1.083 315 L CA 1.000 55.685 54.840 -0.259 0.000 0.752 315 L CB -0.257 41.504 42.059 -0.497 0.000 0.899 315 L HN 0.318 nan 8.230 nan 0.000 0.433 316 A N -0.556 122.273 122.820 0.015 0.000 2.169 316 A HA 0.134 4.455 4.320 0.001 0.000 0.212 316 A C 1.142 178.802 177.584 0.126 0.000 1.153 316 A CA 0.182 52.287 52.037 0.114 0.000 0.756 316 A CB -0.326 18.706 19.000 0.053 0.000 0.813 316 A HN 0.267 nan 8.150 nan 0.000 0.471 317 I N 1.523 122.090 120.570 -0.005 0.000 2.312 317 I HA 0.149 4.320 4.170 0.001 0.000 0.291 317 I C -1.195 174.772 176.117 -0.250 0.000 1.031 317 I CA -1.914 59.315 61.300 -0.120 0.000 1.293 317 I CB 1.801 39.728 38.000 -0.121 0.000 1.403 317 I HN 0.112 nan 8.210 nan 0.000 0.484 318 P HA -0.121 nan 4.420 nan 0.000 0.216 318 P C 0.113 177.248 177.300 -0.276 0.000 1.153 318 P CA 1.185 63.892 63.100 -0.656 0.000 0.844 318 P CB -0.040 31.187 31.700 -0.787 0.000 0.787 319 N N 1.038 119.614 118.700 -0.207 0.000 3.298 319 N HA 0.181 4.922 4.740 0.001 0.000 0.292 319 N C -0.512 174.932 175.510 -0.111 0.000 1.271 319 N CA -0.322 52.651 53.050 -0.130 0.000 1.184 319 N CB -0.303 38.119 38.487 -0.108 0.000 1.452 319 N HN 0.114 nan 8.380 nan 0.000 0.534 320 L N 0.360 121.519 121.223 -0.106 0.000 2.334 320 L HA 0.449 4.789 4.340 0.001 0.000 0.273 320 L C 0.013 176.838 176.870 -0.075 0.000 1.013 320 L CA -0.629 54.150 54.840 -0.102 0.000 0.816 320 L CB 1.539 43.525 42.059 -0.122 0.000 1.278 320 L HN 0.203 nan 8.230 nan 0.000 0.431 321 D N 0.398 120.750 120.400 -0.081 0.000 2.384 321 D HA 0.111 4.751 4.640 0.001 0.000 0.244 321 D C -0.072 176.172 176.300 -0.093 0.000 1.251 321 D CA 0.293 54.261 54.000 -0.054 0.000 0.961 321 D CB 0.876 41.655 40.800 -0.036 0.000 1.116 321 D HN 0.669 nan 8.370 nan 0.000 0.484 322 D N 0.008 120.357 120.400 -0.086 0.000 2.501 322 D HA 0.170 4.811 4.640 0.001 0.000 0.224 322 D C 0.393 176.517 176.300 -0.294 0.000 1.202 322 D CA -0.399 53.490 54.000 -0.184 0.000 0.829 322 D CB 0.115 40.870 40.800 -0.075 0.000 1.023 322 D HN 0.320 nan 8.370 nan 0.000 0.499 323 G N 0.550 109.240 108.800 -0.183 0.000 4.864 323 G HA2 0.089 4.049 3.960 0.001 0.000 0.280 323 G HA3 0.089 4.049 3.960 0.001 0.000 0.280 323 G C -0.067 174.704 174.900 -0.214 0.000 1.239 323 G CA -0.596 44.427 45.100 -0.128 0.000 0.951 323 G HN -0.047 nan 8.290 nan 0.000 0.583 324 N N 0.875 119.360 118.700 -0.358 0.000 2.381 324 N HA 0.055 4.795 4.740 0.001 0.000 0.241 324 N C 0.286 175.381 175.510 -0.692 0.000 1.279 324 N CA 0.373 53.163 53.050 -0.433 0.000 0.896 324 N CB 0.949 39.168 38.487 -0.448 0.000 1.118 324 N HN 0.392 nan 8.380 nan 0.000 0.438 325 Q N 0.629 119.914 119.800 -0.858 0.000 2.354 325 Q HA 0.532 4.872 4.340 0.001 0.000 0.244 325 Q C -0.111 175.589 176.000 -0.501 0.000 0.969 325 Q CA 0.028 55.002 55.803 -1.383 0.000 0.885 325 Q CB 1.749 29.897 28.738 -0.983 0.000 1.241 325 Q HN 0.571 nan 8.270 nan 0.000 0.461 329 Q N 2.666 121.615 119.800 -1.419 0.000 2.439 329 Q HA -0.068 4.273 4.340 0.001 0.000 0.211 329 Q C 1.614 177.299 176.000 -0.526 0.000 0.978 329 Q CA 1.512 56.547 55.803 -1.280 0.000 0.897 329 Q CB -0.901 27.232 28.738 -1.008 0.000 0.956 329 Q HN 0.577 nan 8.270 nan 0.000 0.483 330 L N 0.744 121.789 121.223 -0.297 0.000 2.395 330 L HA 0.080 4.421 4.340 0.001 0.000 0.218 330 L C 0.678 177.400 176.870 -0.247 0.000 1.130 330 L CA -0.095 54.638 54.840 -0.177 0.000 0.826 330 L CB 0.168 42.200 42.059 -0.045 0.000 0.941 330 L HN -0.055 nan 8.230 nan 0.000 0.451 331 V N 0.155 119.956 119.914 -0.188 0.000 2.614 331 V HA -0.043 4.078 4.120 0.001 0.000 0.291 331 V C 1.160 177.193 176.094 -0.103 0.000 1.049 331 V CA -0.112 62.101 62.300 -0.146 0.000 1.038 331 V CB 1.426 33.249 31.823 0.001 0.000 0.980 331 V HN 0.224 nan 8.190 nan 0.000 0.481 332 Q N 3.164 122.905 119.800 -0.098 0.000 2.050 332 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 332 Q C 0.512 176.505 176.000 -0.011 0.000 0.980 332 Q CA 1.842 57.610 55.803 -0.058 0.000 0.840 332 Q CB 0.153 28.858 28.738 -0.056 0.000 0.898 332 Q HN 0.835 nan 8.270 nan 0.000 0.424 333 E N 0.963 121.167 120.200 0.007 0.000 2.580 333 E HA 0.150 4.501 4.350 0.001 0.000 0.248 333 E C -1.576 175.060 176.600 0.060 0.000 1.018 333 E CA -0.394 56.030 56.400 0.039 0.000 0.775 333 E CB 0.908 30.622 29.700 0.024 0.000 1.378 333 E HN 0.196 nan 8.360 nan 0.000 0.401 334 D N 1.826 122.298 120.400 0.120 0.000 2.423 334 D HA -0.025 4.616 4.640 0.001 0.000 0.238 334 D C 1.270 177.604 176.300 0.056 0.000 1.142 334 D CA 0.051 54.133 54.000 0.137 0.000 0.884 334 D CB 0.854 41.838 40.800 0.307 0.000 1.199 334 D HN 0.530 nan 8.370 nan 0.000 0.438 335 I N 0.079 120.658 120.570 0.014 0.000 3.564 335 I HA 0.124 4.295 4.170 0.001 0.000 0.294 335 I C -0.092 175.989 176.117 -0.061 0.000 1.289 335 I CA -0.204 61.083 61.300 -0.022 0.000 1.325 335 I CB 0.003 37.985 38.000 -0.031 0.000 1.039 335 I HN -0.030 nan 8.210 nan 0.000 0.474 336 V N 2.899 122.752 119.914 -0.103 0.000 2.368 336 V HA 0.113 4.234 4.120 0.001 0.000 0.266 336 V C 1.473 177.504 176.094 -0.106 0.000 1.045 336 V CA 0.447 62.660 62.300 -0.146 0.000 0.899 336 V CB 1.231 32.890 31.823 -0.274 0.000 1.006 336 V HN 0.532 nan 8.190 nan 0.000 0.470 337 S N 2.940 118.606 115.700 -0.056 0.000 2.470 337 S HA 0.084 4.555 4.470 0.001 0.000 0.225 337 S C 0.669 175.222 174.600 -0.079 0.000 1.006 337 S CA 0.336 58.507 58.200 -0.049 0.000 0.934 337 S CB 0.075 63.264 63.200 -0.018 0.000 0.778 337 S HN 0.961 nan 8.310 nan 0.000 0.517 338 S N 0.417 116.059 115.700 -0.097 0.000 2.543 338 S HA 0.640 5.110 4.470 0.001 0.000 0.274 338 S C -3.382 171.102 174.600 -0.192 0.000 1.149 338 S CA -1.325 56.789 58.200 -0.143 0.000 0.866 338 S CB 1.842 64.984 63.200 -0.096 0.000 1.111 338 S HN 0.120 nan 8.310 nan 0.000 0.457 339 P HA 0.309 nan 4.420 nan 0.000 0.297 339 P C -0.998 176.072 177.300 -0.383 0.000 1.303 339 P CA -0.220 62.639 63.100 -0.402 0.000 0.753 339 P CB 0.335 31.639 31.700 -0.660 0.000 1.281 340 D N -0.192 120.047 120.400 -0.268 0.000 2.336 340 D HA 0.099 4.740 4.640 0.001 0.000 0.249 340 D C 0.719 176.888 176.300 -0.218 0.000 1.213 340 D CA 0.011 53.893 54.000 -0.196 0.000 0.870 340 D CB -0.358 40.411 40.800 -0.052 0.000 1.076 340 D HN 0.162 nan 8.370 nan 0.000 0.483 341 L N 2.872 123.807 121.223 -0.480 0.000 2.627 341 L HA 0.112 4.452 4.340 0.001 0.000 0.232 341 L C 0.726 177.562 176.870 -0.056 0.000 1.150 341 L CA 0.085 54.603 54.840 -0.536 0.000 0.917 341 L CB -0.201 40.955 42.059 -1.505 0.000 1.104 341 L HN 0.266 nan 8.230 nan 0.000 0.445 342 T N 1.987 116.650 114.554 0.182 0.000 2.727 342 T HA 0.223 4.574 4.350 0.001 0.000 0.295 342 T C -2.192 172.656 174.700 0.247 0.000 0.915 342 T CA -0.985 61.352 62.100 0.395 0.000 1.066 342 T CB 0.703 69.768 68.868 0.329 0.000 0.891 342 T HN -0.071 nan 8.240 nan 0.000 0.516 343 P HA 0.212 nan 4.420 nan 0.000 0.269 343 P C -0.483 176.932 177.300 0.192 0.000 1.209 343 P CA -0.378 62.847 63.100 0.209 0.000 0.776 343 P CB 0.541 32.356 31.700 0.192 0.000 0.876 344 K N 2.718 123.246 120.400 0.213 0.000 2.339 344 K HA 0.278 4.598 4.320 0.001 0.000 0.264 344 K C -0.247 176.485 176.600 0.221 0.000 0.986 344 K CA -0.551 55.847 56.287 0.184 0.000 0.866 344 K CB 0.606 33.209 32.500 0.173 0.000 1.103 344 K HN 0.317 nan 8.250 nan 0.000 0.441 345 N N 1.942 120.725 118.700 0.138 0.000 2.735 345 N HA -0.189 4.552 4.740 0.001 0.000 0.248 345 N C 0.419 175.939 175.510 0.016 0.000 1.083 345 N CA 1.430 54.549 53.050 0.115 0.000 0.703 345 N CB -1.184 37.439 38.487 0.227 0.000 1.005 345 N HN 1.131 nan 8.380 nan 0.000 0.550 346 G N -2.124 106.660 108.800 -0.027 0.000 2.176 346 G HA2 -0.280 3.681 3.960 0.001 0.000 0.252 346 G HA3 -0.280 3.681 3.960 0.001 0.000 0.252 346 G C -0.265 174.439 174.900 -0.326 0.000 1.024 346 G CA 0.537 45.534 45.100 -0.172 0.000 0.755 346 G HN 0.451 nan 8.290 nan 0.000 0.507 347 W N -1.749 119.651 121.300 0.167 0.000 3.032 347 W HA 0.730 5.391 4.660 0.001 0.000 0.335 347 W C -0.638 175.998 176.519 0.194 0.000 1.154 347 W CA -1.338 56.099 57.345 0.153 0.000 1.204 347 W CB 1.676 31.172 29.460 0.059 0.000 1.416 347 W HN 0.085 nan 8.180 nan 0.000 0.521 348 L N 3.668 125.185 121.223 0.489 0.000 2.415 348 L HA 0.360 4.700 4.340 0.001 0.000 0.268 348 L C -0.466 176.518 176.870 0.190 0.000 0.984 348 L CA -0.686 54.334 54.840 0.301 0.000 0.853 348 L CB 0.565 42.807 42.059 0.304 0.000 1.215 348 L HN 0.311 nan 8.230 nan 0.000 0.419 349 D N 2.974 123.449 120.400 0.125 0.000 2.423 349 D HA 0.191 4.832 4.640 0.001 0.000 0.238 349 D C 0.397 176.706 176.300 0.015 0.000 1.142 349 D CA 0.123 54.158 54.000 0.059 0.000 0.884 349 D CB 1.112 41.950 40.800 0.064 0.000 1.199 349 D HN 0.651 nan 8.370 nan 0.000 0.438 350 A N 2.462 125.276 122.820 -0.010 0.000 2.580 350 A HA -0.004 4.317 4.320 0.001 0.000 0.244 350 A C -0.135 177.557 177.584 0.178 0.000 1.045 350 A CA 0.187 52.226 52.037 0.003 0.000 0.761 350 A CB -0.490 18.440 19.000 -0.116 0.000 0.962 350 A HN 0.288 nan 8.150 nan 0.000 0.512 351 F N 1.741 121.832 119.950 0.235 0.000 2.443 351 F HA 0.341 4.869 4.527 0.001 0.000 0.353 351 F C 1.520 177.488 175.800 0.281 0.000 1.101 351 F CA -0.239 57.824 58.000 0.105 0.000 1.226 351 F CB 1.070 40.032 39.000 -0.063 0.000 1.140 351 F HN 0.654 nan 8.300 nan 0.000 0.557 352 R N 0.461 121.195 120.500 0.390 0.000 2.476 352 R HA 0.136 4.476 4.340 0.001 0.000 0.276 352 R C 0.335 176.738 176.300 0.173 0.000 0.941 352 R CA -0.350 55.921 56.100 0.286 0.000 1.088 352 R CB 0.465 30.882 30.300 0.195 0.000 1.216 352 R HN 0.294 nan 8.270 nan 0.000 0.533 353 K N 1.663 122.150 120.400 0.144 0.000 2.180 353 K HA 0.201 4.521 4.320 0.001 0.000 0.251 353 K C -2.375 174.239 176.600 0.022 0.000 1.014 353 K CA -2.036 54.281 56.287 0.050 0.000 0.913 353 K CB 0.006 32.505 32.500 -0.002 0.000 1.008 353 K HN -0.199 nan 8.250 nan 0.000 0.490 354 P HA -0.011 nan 4.420 nan 0.000 0.267 354 P C 0.501 177.727 177.300 -0.124 0.000 1.200 354 P CA 0.815 63.873 63.100 -0.070 0.000 0.772 354 P CB 0.399 32.058 31.700 -0.069 0.000 0.855 355 G N 1.687 110.404 108.800 -0.138 0.000 2.566 355 G HA2 -0.315 3.646 3.960 0.001 0.000 0.280 355 G HA3 -0.315 3.646 3.960 0.001 0.000 0.280 355 G C 0.763 175.503 174.900 -0.267 0.000 1.225 355 G CA 0.130 45.124 45.100 -0.177 0.000 0.966 355 G HN 0.488 nan 8.290 nan 0.000 0.560 356 L N 2.117 123.200 121.223 -0.234 0.000 2.551 356 L HA 0.297 4.638 4.340 0.001 0.000 0.228 356 L C 2.406 179.384 176.870 0.180 0.000 1.153 356 L CA 1.130 55.942 54.840 -0.046 0.000 0.851 356 L CB -0.684 41.519 42.059 0.241 0.000 0.959 356 L HN 2.048 nan 8.230 nan 0.000 0.451 357 G N 0.744 109.496 108.800 -0.080 0.000 2.147 357 G HA2 -0.320 3.641 3.960 0.001 0.000 0.244 357 G HA3 -0.320 3.641 3.960 0.001 0.000 0.244 357 G C 0.058 174.915 174.900 -0.071 0.000 1.005 357 G CA 0.414 45.505 45.100 -0.014 0.000 0.713 357 G HN 0.385 nan 8.290 nan 0.000 0.515 358 F N -1.637 118.276 119.950 -0.061 0.000 2.575 358 F HA 0.932 5.460 4.527 0.001 0.000 0.330 358 F C -0.211 175.539 175.800 -0.084 0.000 1.056 358 F CA -2.067 55.862 58.000 -0.119 0.000 0.964 358 F CB 1.343 40.272 39.000 -0.118 0.000 1.258 358 F HN -0.001 nan 8.300 nan 0.000 0.484 359 Q N 2.084 122.019 119.800 0.224 0.000 2.353 359 Q HA 0.530 4.871 4.340 0.001 0.000 0.268 359 Q C -1.081 175.030 176.000 0.184 0.000 1.045 359 Q CA -0.617 55.270 55.803 0.140 0.000 0.811 359 Q CB 2.851 31.608 28.738 0.030 0.000 1.305 359 Q HN 0.809 nan 8.270 nan 0.000 0.447 360 L N 0.897 122.223 121.223 0.171 0.000 2.343 360 L HA 0.597 4.938 4.340 0.001 0.000 0.275 360 L C 0.229 177.126 176.870 0.044 0.000 1.056 360 L CA -0.980 53.919 54.840 0.098 0.000 0.804 360 L CB 1.447 43.574 42.059 0.114 0.000 1.203 360 L HN 0.621 nan 8.230 nan 0.000 0.440 361 A N 1.592 124.423 122.820 0.018 0.000 2.807 361 A HA 0.152 4.472 4.320 0.001 0.000 0.307 361 A C 1.013 178.607 177.584 0.016 0.000 1.532 361 A CA -0.365 51.679 52.037 0.013 0.000 1.215 361 A CB 0.077 19.081 19.000 0.007 0.000 1.127 361 A HN 0.832 nan 8.150 nan 0.000 0.543 362 E N 2.319 122.530 120.200 0.019 0.000 2.187 362 E HA -0.265 4.085 4.350 0.001 0.000 0.199 362 E C 1.438 178.047 176.600 0.015 0.000 1.004 362 E CA 2.270 58.681 56.400 0.019 0.000 0.813 362 E CB 0.000 29.711 29.700 0.018 0.000 0.736 362 E HN 0.817 nan 8.360 nan 0.000 0.468 363 D N 0.006 120.414 120.400 0.013 0.000 2.117 363 D HA -0.197 4.444 4.640 0.001 0.000 0.198 363 D C 2.072 178.380 176.300 0.013 0.000 0.982 363 D CA 1.107 55.114 54.000 0.012 0.000 0.828 363 D CB -0.740 40.066 40.800 0.011 0.000 0.967 363 D HN 0.382 nan 8.370 nan 0.000 0.464 364 L N 0.246 121.477 121.223 0.013 0.000 2.156 364 L HA -0.067 4.273 4.340 0.001 0.000 0.208 364 L C 2.745 179.624 176.870 0.015 0.000 1.095 364 L CA 0.393 55.241 54.840 0.014 0.000 0.770 364 L CB -0.213 41.855 42.059 0.015 0.000 0.914 364 L HN -0.053 nan 8.230 nan 0.000 0.439 365 V N 0.220 120.142 119.914 0.013 0.000 2.358 365 V HA -0.258 3.863 4.120 0.001 0.000 0.246 365 V C 2.806 178.910 176.094 0.017 0.000 1.047 365 V CA 1.760 64.068 62.300 0.013 0.000 1.035 365 V CB -0.845 30.986 31.823 0.012 0.000 0.658 365 V HN 0.462 nan 8.190 nan 0.000 0.452 366 A N -0.427 122.403 122.820 0.017 0.000 1.908 366 A HA -0.279 4.042 4.320 0.001 0.000 0.218 366 A C 2.193 179.792 177.584 0.025 0.000 1.181 366 A CA 2.067 54.116 52.037 0.020 0.000 0.627 366 A CB -0.534 18.476 19.000 0.016 0.000 0.818 366 A HN 0.610 nan 8.150 nan 0.000 0.445 367 E N -0.925 119.288 120.200 0.022 0.000 2.077 367 E HA -0.137 4.213 4.350 0.001 0.000 0.193 367 E C 2.146 178.766 176.600 0.033 0.000 0.989 367 E CA 0.784 57.198 56.400 0.023 0.000 0.800 367 E CB -0.359 29.352 29.700 0.018 0.000 0.746 367 E HN 0.631 nan 8.360 nan 0.000 0.452 368 G N 1.085 109.905 108.800 0.033 0.000 2.418 368 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 368 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 368 G C 1.264 176.207 174.900 0.072 0.000 1.158 368 G CA 0.709 45.836 45.100 0.045 0.000 0.771 368 G HN 0.236 nan 8.290 nan 0.000 0.545 369 E N 0.126 120.364 120.200 0.063 0.000 2.072 369 E HA -0.024 4.326 4.350 0.001 0.000 0.191 369 E C 2.778 179.454 176.600 0.126 0.000 0.985 369 E CA 0.560 57.018 56.400 0.097 0.000 0.801 369 E CB -0.323 29.411 29.700 0.058 0.000 0.750 369 E HN 0.381 nan 8.360 nan 0.000 0.452 370 G N 1.423 110.266 108.800 0.073 0.000 2.440 370 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 370 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 370 G C 1.553 176.481 174.900 0.047 0.000 1.154 370 G CA 0.523 45.653 45.100 0.050 0.000 0.767 370 G HN 0.094 nan 8.290 nan 0.000 0.552 371 R N -1.069 119.466 120.500 0.060 0.000 2.092 371 R HA -0.075 4.265 4.340 0.001 0.000 0.231 371 R C 2.306 178.642 176.300 0.060 0.000 1.119 371 R CA 1.251 57.379 56.100 0.048 0.000 0.970 371 R CB -0.588 29.742 30.300 0.050 0.000 0.864 371 R HN 0.504 nan 8.270 nan 0.000 0.440 372 Y N 1.575 121.874 120.300 -0.002 0.000 2.128 372 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 372 Y C 2.312 178.209 175.900 -0.004 0.000 1.154 372 Y CA 1.346 59.445 58.100 -0.002 0.000 1.149 372 Y CB -0.529 37.929 38.460 -0.003 0.000 0.976 372 Y HN 0.039 nan 8.280 nan 0.000 0.505 373 A N 0.743 123.492 122.820 -0.120 0.000 1.908 373 A HA -0.145 4.176 4.320 0.001 0.000 0.218 373 A C 2.473 179.947 177.584 -0.184 0.000 1.181 373 A CA 2.120 54.041 52.037 -0.193 0.000 0.627 373 A CB -1.591 17.389 19.000 -0.032 0.000 0.818 373 A HN 0.668 nan 8.150 nan 0.000 0.445 374 A N 0.382 123.138 122.820 -0.106 0.000 1.865 374 A HA -0.005 4.315 4.320 0.001 0.000 0.217 374 A C 1.957 179.476 177.584 -0.108 0.000 1.191 374 A CA 1.789 53.778 52.037 -0.080 0.000 0.623 374 A CB -1.305 17.671 19.000 -0.040 0.000 0.826 374 A HN 0.990 nan 8.150 nan 0.000 0.444 375 S N 0.000 115.619 115.700 -0.135 0.000 2.498 375 S HA 0.000 4.471 4.470 0.001 0.000 0.327 375 S CA 0.000 58.123 58.200 -0.129 0.000 1.107 375 S CB 0.000 63.142 63.200 -0.097 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517