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 2w7o_1_B DATA FIRST_RESID 33 DATA SEQUENCE KEKINKIIME ATKGSRFYGN ELKKEKQVNQ RIENMMQQKA QITSQQLRKA DATA SEQUENCE QLQVDRFAME LEQSRNLSNT IVHIDMDAFY AAVEMRDNPE LKDKPIAVGS DATA SEQUENCE MSMLSTSNYH ARRFGVRAAM PGFIAKRLCP QLIIVPPNFD KYRAVSKEVK DATA SEQUENCE EILADYDPNF MAMSLDEAYL NITKHLEERQ NWPEDKRRYF IXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXN DATA SEQUENCE SVVFGTSAQE VVKEIRFRIE QKTTLTASAG IAPNTMLAKV CSDKNKPNGQ DATA SEQUENCE YQILPNRQAV MDFIKDLPIR KVSGIGKVTE KMLKALGIIT CTELYQQRAL DATA SEQUENCE LSLLFSETSW HYFLHISLGL GSTHLTRDGE RKSMSVERTF SEINKAEEQY DATA SEQUENCE SLCQELCSEL AQDLQKERLK GRTVTIKLKN VNFEVKTRAS TVSSVVSTAE DATA SEQUENCE EIFAIAKELL KTEIDADFPH PLRLRLMGVR ISSFPNEE 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 33 K HA 0.000 nan 4.320 nan 0.000 0.191 33 K C 0.000 176.617 176.600 0.028 0.000 0.988 33 K CA 0.000 56.303 56.287 0.027 0.000 0.838 33 K CB 0.000 32.524 32.500 0.040 0.000 1.064 34 E N 1.610 121.821 120.200 0.020 0.000 2.510 34 E HA -0.114 4.236 4.350 -0.001 0.000 0.202 34 E C 0.284 176.895 176.600 0.019 0.000 1.072 34 E CA 0.868 57.279 56.400 0.019 0.000 0.883 34 E CB 0.280 29.988 29.700 0.014 0.000 0.818 34 E HN 0.320 nan 8.360 nan 0.000 0.548 35 K N -0.008 120.404 120.400 0.019 0.000 2.555 35 K HA 0.034 4.353 4.320 -0.001 0.000 0.193 35 K C 1.633 178.243 176.600 0.016 0.000 1.032 35 K CA 0.067 56.363 56.287 0.015 0.000 1.004 35 K CB -0.126 32.383 32.500 0.014 0.000 0.804 35 K HN 0.174 nan 8.250 nan 0.000 0.496 36 I N 0.578 121.163 120.570 0.026 0.000 2.423 36 I HA -0.303 3.867 4.170 -0.001 0.000 0.254 36 I C 1.848 177.977 176.117 0.019 0.000 1.151 36 I CA 0.981 62.300 61.300 0.031 0.000 1.421 36 I CB -0.188 37.840 38.000 0.047 0.000 1.079 36 I HN 0.280 nan 8.210 nan 0.000 0.431 37 N N 1.106 119.816 118.700 0.016 0.000 2.354 37 N HA -0.197 4.542 4.740 -0.001 0.000 0.179 37 N C 1.732 177.239 175.510 -0.005 0.000 1.021 37 N CA 0.963 54.020 53.050 0.010 0.000 0.887 37 N CB 0.039 38.536 38.487 0.016 0.000 0.974 37 N HN 0.030 nan 8.380 nan 0.000 0.437 38 K N 0.916 121.313 120.400 -0.005 0.000 2.026 38 K HA 0.015 4.334 4.320 -0.001 0.000 0.208 38 K C 1.709 178.292 176.600 -0.029 0.000 1.048 38 K CA 1.328 57.606 56.287 -0.015 0.000 0.929 38 K CB -0.507 31.988 32.500 -0.009 0.000 0.713 38 K HN 0.278 nan 8.250 nan 0.000 0.439 39 I N 0.236 120.792 120.570 -0.024 0.000 2.179 39 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 39 I C 2.182 178.263 176.117 -0.059 0.000 1.088 39 I CA 1.281 62.559 61.300 -0.037 0.000 1.357 39 I CB -0.255 37.731 38.000 -0.023 0.000 1.051 39 I HN 0.150 nan 8.210 nan 0.000 0.409 40 I N 0.094 120.636 120.570 -0.047 0.000 2.086 40 I HA -0.340 3.830 4.170 -0.001 0.000 0.233 40 I C 2.629 178.689 176.117 -0.095 0.000 1.060 40 I CA 1.521 62.785 61.300 -0.059 0.000 1.326 40 I CB -0.342 37.648 38.000 -0.017 0.000 1.067 40 I HN 0.159 nan 8.210 nan 0.000 0.398 41 M N 0.512 120.060 119.600 -0.086 0.000 2.331 41 M HA -0.265 4.214 4.480 -0.001 0.000 0.260 41 M C 2.190 178.372 176.300 -0.197 0.000 1.072 41 M CA 1.643 56.849 55.300 -0.157 0.000 1.065 41 M CB -0.187 32.354 32.600 -0.098 0.000 1.392 41 M HN 0.258 nan 8.290 nan 0.000 0.427 42 E N 0.278 120.399 120.200 -0.132 0.000 2.016 42 E HA -0.137 4.212 4.350 -0.001 0.000 0.190 42 E C 1.754 178.268 176.600 -0.143 0.000 0.985 42 E CA 1.651 57.979 56.400 -0.121 0.000 0.802 42 E CB -0.267 29.383 29.700 -0.083 0.000 0.762 42 E HN 0.528 nan 8.360 nan 0.000 0.448 43 A N 0.206 122.934 122.820 -0.153 0.000 2.172 43 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 43 A C 2.198 179.651 177.584 -0.218 0.000 1.154 43 A CA 1.627 53.547 52.037 -0.195 0.000 0.701 43 A CB -0.541 18.314 19.000 -0.242 0.000 0.789 43 A HN 0.333 nan 8.150 nan 0.000 0.465 44 T N 0.195 114.627 114.554 -0.205 0.000 3.043 44 T HA 0.054 4.403 4.350 -0.001 0.000 0.263 44 T C 1.081 175.648 174.700 -0.221 0.000 1.094 44 T CA 0.688 62.679 62.100 -0.181 0.000 1.127 44 T CB -0.298 68.447 68.868 -0.206 0.000 0.905 44 T HN 0.866 nan 8.240 nan 0.000 0.490 45 K N 0.898 121.148 120.400 -0.250 0.000 2.143 45 K HA -0.235 4.084 4.320 -0.001 0.000 0.106 45 K C 0.690 177.195 176.600 -0.158 0.000 1.291 45 K CA 1.559 57.737 56.287 -0.182 0.000 0.562 45 K CB -1.586 30.870 32.500 -0.073 0.000 0.504 45 K HN 0.300 nan 8.250 nan 0.000 1.006 46 G N 1.208 110.019 108.800 0.018 0.000 4.106 46 G HA2 0.451 4.411 3.960 -0.001 0.000 0.344 46 G HA3 0.451 4.411 3.960 -0.001 0.000 0.344 46 G C -0.625 174.358 174.900 0.139 0.000 1.477 46 G CA -0.096 45.093 45.100 0.149 0.000 1.068 46 G HN 0.756 nan 8.290 nan 0.000 0.488 47 S N 0.533 116.342 115.700 0.181 0.000 2.646 47 S HA 0.366 4.835 4.470 -0.001 0.000 0.276 47 S C 1.214 175.943 174.600 0.215 0.000 1.222 47 S CA -0.813 57.508 58.200 0.200 0.000 1.014 47 S CB 2.171 65.521 63.200 0.250 0.000 0.991 47 S HN 0.407 nan 8.310 nan 0.000 0.533 48 R N -0.689 119.952 120.500 0.235 0.000 2.371 48 R HA -0.061 4.278 4.340 -0.001 0.000 0.226 48 R C 1.213 177.668 176.300 0.259 0.000 1.132 48 R CA 1.116 57.368 56.100 0.253 0.000 1.027 48 R CB -0.438 30.041 30.300 0.299 0.000 0.848 48 R HN 0.771 nan 8.270 nan 0.000 0.479 49 F N -0.952 119.007 119.950 0.016 0.000 2.222 49 F HA -0.055 4.472 4.527 -0.001 0.000 0.285 49 F C 1.870 177.535 175.800 -0.225 0.000 1.068 49 F CA 0.651 58.397 58.000 -0.424 0.000 1.265 49 F CB -0.804 38.015 39.000 -0.302 0.000 1.087 49 F HN -0.092 nan 8.300 nan 0.000 0.511 50 Y N 1.047 121.126 120.300 -0.367 0.000 2.114 50 Y HA -0.165 4.384 4.550 -0.001 0.000 0.282 50 Y C 2.545 178.235 175.900 -0.350 0.000 1.165 50 Y CA 1.644 59.494 58.100 -0.416 0.000 1.148 50 Y CB -0.829 37.576 38.460 -0.092 0.000 0.972 50 Y HN 0.200 nan 8.280 nan 0.000 0.504 51 G N -0.421 108.301 108.800 -0.130 0.000 2.532 51 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.222 51 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.222 51 G C 1.341 176.097 174.900 -0.241 0.000 1.102 51 G CA 1.277 46.282 45.100 -0.157 0.000 0.742 51 G HN 0.602 nan 8.290 nan 0.000 0.577 52 N N -0.700 117.791 118.700 -0.349 0.000 2.405 52 N HA -0.037 4.703 4.740 -0.001 0.000 0.175 52 N C 1.746 177.018 175.510 -0.397 0.000 1.051 52 N CA 0.037 52.898 53.050 -0.315 0.000 0.899 52 N CB 0.139 38.441 38.487 -0.309 0.000 1.000 52 N HN 0.068 nan 8.380 nan 0.000 0.451 53 E N 0.892 120.733 120.200 -0.598 0.000 2.106 53 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 53 E C 1.892 178.246 176.600 -0.410 0.000 0.984 53 E CA 0.560 56.647 56.400 -0.522 0.000 0.806 53 E CB -0.052 29.276 29.700 -0.620 0.000 0.750 53 E HN 0.352 nan 8.360 nan 0.000 0.458 54 L N 0.527 121.464 121.223 -0.476 0.000 2.023 54 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 54 L C 2.036 178.783 176.870 -0.205 0.000 1.073 54 L CA 1.104 55.744 54.840 -0.334 0.000 0.745 54 L CB -1.349 40.505 42.059 -0.341 0.000 0.900 54 L HN 0.041 nan 8.230 nan 0.000 0.435 55 K N 0.241 120.529 120.400 -0.187 0.000 2.633 55 K HA -0.131 4.189 4.320 -0.001 0.000 0.193 55 K C 1.752 178.294 176.600 -0.096 0.000 1.033 55 K CA 0.952 57.171 56.287 -0.112 0.000 0.980 55 K CB -0.091 32.358 32.500 -0.085 0.000 0.800 55 K HN 0.222 nan 8.250 nan 0.000 0.493 56 K N -0.953 119.373 120.400 -0.125 0.000 2.354 56 K HA 0.094 4.414 4.320 -0.001 0.000 0.210 56 K C 1.284 177.839 176.600 -0.076 0.000 1.184 56 K CA 0.220 56.452 56.287 -0.092 0.000 0.880 56 K CB 0.282 32.714 32.500 -0.113 0.000 1.328 56 K HN 0.043 nan 8.250 nan 0.000 0.466 57 E N 1.438 121.577 120.200 -0.102 0.000 2.130 57 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 57 E C 1.840 178.406 176.600 -0.056 0.000 0.998 57 E CA 1.368 57.724 56.400 -0.074 0.000 0.806 57 E CB 0.030 29.674 29.700 -0.094 0.000 0.738 57 E HN 0.151 nan 8.360 nan 0.000 0.459 58 K N 1.160 121.519 120.400 -0.069 0.000 2.057 58 K HA -0.217 4.102 4.320 -0.001 0.000 0.207 58 K C 2.234 178.815 176.600 -0.033 0.000 1.049 58 K CA 1.369 57.626 56.287 -0.050 0.000 0.931 58 K CB 0.041 32.507 32.500 -0.056 0.000 0.714 58 K HN 0.033 nan 8.250 nan 0.000 0.440 59 Q N 0.051 119.831 119.800 -0.033 0.000 2.167 59 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 59 Q C 1.972 177.967 176.000 -0.009 0.000 0.970 59 Q CA 1.051 56.843 55.803 -0.018 0.000 0.855 59 Q CB 0.204 28.932 28.738 -0.017 0.000 0.911 59 Q HN 0.194 nan 8.270 nan 0.000 0.438 60 V N 1.510 121.418 119.914 -0.010 0.000 2.216 60 V HA -0.323 3.797 4.120 -0.001 0.000 0.243 60 V C 1.794 177.893 176.094 0.008 0.000 1.044 60 V CA 2.017 64.320 62.300 0.005 0.000 0.995 60 V CB -0.640 31.186 31.823 0.005 0.000 0.633 60 V HN 0.461 nan 8.190 nan 0.000 0.446 61 N N 0.116 118.815 118.700 -0.001 0.000 2.069 61 N HA -0.297 4.443 4.740 -0.001 0.000 0.196 61 N C 1.801 177.310 175.510 -0.000 0.000 1.024 61 N CA 2.077 55.127 53.050 -0.000 0.000 0.869 61 N CB -0.671 37.812 38.487 -0.008 0.000 1.035 61 N HN 0.561 nan 8.380 nan 0.000 0.434 62 Q N 1.206 121.004 119.800 -0.004 0.000 2.133 62 Q HA -0.115 4.224 4.340 -0.001 0.000 0.208 62 Q C 2.060 178.058 176.000 -0.003 0.000 0.991 62 Q CA 1.667 57.467 55.803 -0.005 0.000 0.867 62 Q CB -0.305 28.429 28.738 -0.006 0.000 0.911 62 Q HN 0.380 nan 8.270 nan 0.000 0.417 63 R N -0.610 119.893 120.500 0.004 0.000 2.096 63 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 63 R C 2.255 178.558 176.300 0.006 0.000 1.127 63 R CA 1.429 57.533 56.100 0.008 0.000 0.968 63 R CB -0.251 30.064 30.300 0.025 0.000 0.861 63 R HN 0.404 nan 8.270 nan 0.000 0.440 64 I N 0.314 120.893 120.570 0.015 0.000 2.133 64 I HA -0.261 3.909 4.170 -0.001 0.000 0.238 64 I C 2.526 178.643 176.117 0.000 0.000 1.074 64 I CA 1.492 62.802 61.300 0.018 0.000 1.342 64 I CB -0.443 37.572 38.000 0.025 0.000 1.053 64 I HN 0.335 nan 8.210 nan 0.000 0.404 65 E N 1.036 121.234 120.200 -0.003 0.000 2.160 65 E HA -0.286 4.063 4.350 -0.001 0.000 0.195 65 E C 1.819 178.410 176.600 -0.016 0.000 0.991 65 E CA 1.429 57.824 56.400 -0.008 0.000 0.810 65 E CB -0.044 29.652 29.700 -0.007 0.000 0.742 65 E HN 0.329 nan 8.360 nan 0.000 0.466 66 N N 0.122 118.811 118.700 -0.017 0.000 2.289 66 N HA -0.160 4.580 4.740 -0.001 0.000 0.184 66 N C 1.698 177.185 175.510 -0.039 0.000 1.016 66 N CA 1.240 54.275 53.050 -0.024 0.000 0.872 66 N CB -0.093 38.381 38.487 -0.022 0.000 0.973 66 N HN 0.294 nan 8.380 nan 0.000 0.433 67 M N -1.034 118.538 119.600 -0.047 0.000 2.248 67 M HA -0.044 4.435 4.480 -0.001 0.000 0.265 67 M C 1.372 177.638 176.300 -0.056 0.000 1.079 67 M CA 0.861 56.115 55.300 -0.077 0.000 1.150 67 M CB 0.025 32.563 32.600 -0.103 0.000 1.366 67 M HN 0.045 nan 8.290 nan 0.000 0.433 68 M N 0.946 120.526 119.600 -0.032 0.000 2.082 68 M HA -0.264 4.215 4.480 -0.001 0.000 0.258 68 M C 2.037 178.321 176.300 -0.026 0.000 1.071 68 M CA 2.072 57.358 55.300 -0.023 0.000 1.103 68 M CB -1.681 30.911 32.600 -0.013 0.000 1.307 68 M HN 0.417 nan 8.290 nan 0.000 0.409 69 Q N -0.363 119.422 119.800 -0.026 0.000 2.029 69 Q HA -0.252 4.087 4.340 -0.001 0.000 0.209 69 Q C 2.118 178.100 176.000 -0.030 0.000 0.999 69 Q CA 1.670 57.458 55.803 -0.025 0.000 0.857 69 Q CB -0.391 28.333 28.738 -0.023 0.000 0.926 69 Q HN 0.523 nan 8.270 nan 0.000 0.415 70 Q N 0.644 120.420 119.800 -0.039 0.000 2.124 70 Q HA -0.299 4.040 4.340 -0.001 0.000 0.215 70 Q C 2.082 178.057 176.000 -0.042 0.000 1.015 70 Q CA 1.987 57.763 55.803 -0.045 0.000 0.890 70 Q CB -0.408 28.291 28.738 -0.066 0.000 0.966 70 Q HN 0.345 nan 8.270 nan 0.000 0.412 71 K N 0.187 120.561 120.400 -0.043 0.000 1.978 71 K HA -0.148 4.172 4.320 -0.001 0.000 0.214 71 K C 1.955 178.538 176.600 -0.029 0.000 1.049 71 K CA 1.488 57.753 56.287 -0.035 0.000 0.939 71 K CB -0.334 32.149 32.500 -0.028 0.000 0.721 71 K HN 0.165 nan 8.250 nan 0.000 0.441 72 A N 0.682 123.487 122.820 -0.025 0.000 2.266 72 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 72 A C 1.167 178.738 177.584 -0.021 0.000 1.178 72 A CA 1.798 53.822 52.037 -0.021 0.000 0.678 72 A CB -0.418 18.571 19.000 -0.018 0.000 0.789 72 A HN 0.640 nan 8.150 nan 0.000 0.486 73 Q N -0.993 118.793 119.800 -0.024 0.000 2.135 73 Q HA 0.395 4.734 4.340 -0.001 0.000 0.231 73 Q C -0.786 175.199 176.000 -0.025 0.000 0.817 73 Q CA -0.210 55.579 55.803 -0.023 0.000 1.073 73 Q CB 0.726 29.451 28.738 -0.022 0.000 1.176 73 Q HN 0.638 nan 8.270 nan 0.000 0.478 74 I N 2.594 123.147 120.570 -0.028 0.000 2.291 74 I HA 0.128 4.298 4.170 -0.001 0.000 0.290 74 I C 0.780 176.880 176.117 -0.029 0.000 1.050 74 I CA -0.565 60.717 61.300 -0.031 0.000 1.245 74 I CB 0.954 38.932 38.000 -0.037 0.000 1.405 74 I HN 0.084 nan 8.210 nan 0.000 0.478 75 T N 1.399 115.937 114.554 -0.026 0.000 2.932 75 T HA 0.036 4.385 4.350 -0.001 0.000 0.312 75 T C 1.231 175.915 174.700 -0.028 0.000 1.071 75 T CA -0.572 61.513 62.100 -0.024 0.000 1.128 75 T CB 1.069 69.924 68.868 -0.021 0.000 0.984 75 T HN 0.576 nan 8.240 nan 0.000 0.549 76 S N 0.987 116.671 115.700 -0.026 0.000 2.440 76 S HA -0.175 4.294 4.470 -0.001 0.000 0.238 76 S C 1.984 176.567 174.600 -0.030 0.000 1.010 76 S CA 1.176 59.359 58.200 -0.029 0.000 0.972 76 S CB -0.483 62.702 63.200 -0.025 0.000 0.774 76 S HN 0.883 nan 8.310 nan 0.000 0.501 77 Q N 1.559 121.344 119.800 -0.026 0.000 2.002 77 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 77 Q C 2.004 177.986 176.000 -0.030 0.000 0.988 77 Q CA 1.689 57.478 55.803 -0.025 0.000 0.843 77 Q CB -0.327 28.399 28.738 -0.020 0.000 0.908 77 Q HN 0.609 nan 8.270 nan 0.000 0.420 78 Q N -0.007 119.774 119.800 -0.032 0.000 2.096 78 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 78 Q C 2.167 178.136 176.000 -0.051 0.000 0.982 78 Q CA 1.339 57.119 55.803 -0.039 0.000 0.850 78 Q CB -0.116 28.599 28.738 -0.038 0.000 0.901 78 Q HN 0.296 nan 8.270 nan 0.000 0.422 79 L N 0.644 121.836 121.223 -0.051 0.000 2.141 79 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 79 L C 2.193 179.025 176.870 -0.064 0.000 1.094 79 L CA 1.675 56.477 54.840 -0.062 0.000 0.763 79 L CB -0.364 41.662 42.059 -0.054 0.000 0.908 79 L HN 0.073 nan 8.230 nan 0.000 0.437 80 R N -0.892 119.578 120.500 -0.050 0.000 2.200 80 R HA -0.136 4.204 4.340 -0.001 0.000 0.208 80 R C 2.131 178.404 176.300 -0.045 0.000 1.033 80 R CA 0.640 56.712 56.100 -0.046 0.000 1.000 80 R CB 0.178 30.457 30.300 -0.035 0.000 0.906 80 R HN 0.183 nan 8.270 nan 0.000 0.462 81 K N 0.801 121.174 120.400 -0.045 0.000 1.973 81 K HA -0.016 4.303 4.320 -0.001 0.000 0.210 81 K C 1.758 178.326 176.600 -0.054 0.000 1.045 81 K CA 1.970 58.233 56.287 -0.040 0.000 0.937 81 K CB -0.533 31.945 32.500 -0.037 0.000 0.721 81 K HN 0.096 nan 8.250 nan 0.000 0.438 82 A N 0.517 123.289 122.820 -0.079 0.000 1.902 82 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 82 A C 2.245 179.754 177.584 -0.124 0.000 1.181 82 A CA 2.063 54.026 52.037 -0.122 0.000 0.623 82 A CB -0.956 17.941 19.000 -0.171 0.000 0.818 82 A HN 0.600 nan 8.150 nan 0.000 0.443 83 Q N -0.392 119.344 119.800 -0.108 0.000 2.047 83 Q HA -0.245 4.095 4.340 -0.001 0.000 0.211 83 Q C 1.885 177.843 176.000 -0.070 0.000 1.005 83 Q CA 2.319 58.061 55.803 -0.102 0.000 0.866 83 Q CB -0.643 28.044 28.738 -0.085 0.000 0.938 83 Q HN 0.579 nan 8.270 nan 0.000 0.414 84 L N 0.534 121.730 121.223 -0.046 0.000 2.043 84 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 84 L C 2.353 179.224 176.870 0.002 0.000 1.075 84 L CA 2.606 57.435 54.840 -0.018 0.000 0.752 84 L CB -1.095 40.958 42.059 -0.011 0.000 0.891 84 L HN 0.571 nan 8.230 nan 0.000 0.432 85 Q N -0.759 119.035 119.800 -0.010 0.000 1.948 85 Q HA -0.212 4.127 4.340 -0.001 0.000 0.205 85 Q C 2.146 178.193 176.000 0.078 0.000 0.992 85 Q CA 3.061 58.879 55.803 0.026 0.000 0.849 85 Q CB -0.389 28.340 28.738 -0.015 0.000 0.918 85 Q HN 0.422 nan 8.270 nan 0.000 0.421 86 V N 1.854 121.768 119.914 0.001 0.000 2.282 86 V HA -0.313 3.807 4.120 -0.001 0.000 0.249 86 V C 2.030 178.176 176.094 0.085 0.000 1.057 86 V CA 2.289 64.624 62.300 0.057 0.000 1.032 86 V CB -0.761 30.979 31.823 -0.138 0.000 0.645 86 V HN 0.490 nan 8.190 nan 0.000 0.447 87 D N -0.657 119.751 120.400 0.014 0.000 2.133 87 D HA -0.218 4.421 4.640 -0.001 0.000 0.195 87 D C 2.306 178.644 176.300 0.063 0.000 0.997 87 D CA 1.742 55.752 54.000 0.016 0.000 0.840 87 D CB -0.257 40.540 40.800 -0.006 0.000 0.947 87 D HN 0.402 nan 8.370 nan 0.000 0.452 88 R N -0.593 119.961 120.500 0.091 0.000 2.066 88 R HA -0.148 4.192 4.340 -0.001 0.000 0.232 88 R C 2.321 178.738 176.300 0.196 0.000 1.131 88 R CA 0.928 57.099 56.100 0.119 0.000 0.955 88 R CB -0.493 29.873 30.300 0.109 0.000 0.851 88 R HN 0.125 nan 8.270 nan 0.000 0.432 89 F N 1.414 121.405 119.950 0.068 0.000 2.134 89 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 89 F C 1.961 177.803 175.800 0.070 0.000 1.097 89 F CA 1.204 59.254 58.000 0.083 0.000 1.264 89 F CB -0.934 38.141 39.000 0.124 0.000 1.001 89 F HN 0.127 nan 8.300 nan 0.000 0.479 90 A N 1.066 123.804 122.820 -0.136 0.000 1.877 90 A HA -0.250 4.070 4.320 -0.001 0.000 0.216 90 A C 2.480 180.008 177.584 -0.093 0.000 1.186 90 A CA 1.930 53.824 52.037 -0.238 0.000 0.620 90 A CB -1.126 17.851 19.000 -0.038 0.000 0.822 90 A HN 0.574 nan 8.150 nan 0.000 0.443 91 M N -1.024 118.579 119.600 0.005 0.000 2.260 91 M HA -0.200 4.280 4.480 -0.001 0.000 0.261 91 M C 1.925 178.242 176.300 0.028 0.000 1.066 91 M CA 2.164 57.480 55.300 0.026 0.000 1.082 91 M CB -0.152 32.476 32.600 0.047 0.000 1.388 91 M HN 0.459 nan 8.290 nan 0.000 0.419 92 E N 0.797 121.029 120.200 0.053 0.000 2.028 92 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 92 E C 1.979 178.610 176.600 0.051 0.000 0.984 92 E CA 1.428 57.884 56.400 0.094 0.000 0.800 92 E CB -0.438 29.395 29.700 0.222 0.000 0.758 92 E HN 0.642 nan 8.360 nan 0.000 0.448 93 L N 0.766 121.970 121.223 -0.031 0.000 1.989 93 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 93 L C 2.684 179.546 176.870 -0.015 0.000 1.071 93 L CA 1.701 56.522 54.840 -0.032 0.000 0.749 93 L CB -0.666 41.297 42.059 -0.159 0.000 0.890 93 L HN 0.137 nan 8.230 nan 0.000 0.431 94 E N -0.091 120.086 120.200 -0.038 0.000 2.171 94 E HA -0.254 4.095 4.350 -0.001 0.000 0.197 94 E C 2.193 178.787 176.600 -0.010 0.000 0.997 94 E CA 1.422 57.805 56.400 -0.028 0.000 0.810 94 E CB -0.016 29.665 29.700 -0.032 0.000 0.738 94 E HN 0.318 nan 8.360 nan 0.000 0.467 95 Q N -0.162 119.640 119.800 0.005 0.000 1.994 95 Q HA 0.059 4.398 4.340 -0.001 0.000 0.198 95 Q C 1.777 177.785 176.000 0.013 0.000 0.976 95 Q CA 1.413 57.223 55.803 0.012 0.000 0.828 95 Q CB -0.524 28.229 28.738 0.025 0.000 0.894 95 Q HN 0.142 nan 8.270 nan 0.000 0.432 96 S N 1.300 117.014 115.700 0.024 0.000 2.942 96 S HA 0.025 4.494 4.470 -0.001 0.000 0.244 96 S C 0.551 175.159 174.600 0.014 0.000 1.011 96 S CA -0.152 58.062 58.200 0.023 0.000 1.102 96 S CB -0.491 62.734 63.200 0.042 0.000 0.812 96 S HN 0.183 nan 8.310 nan 0.000 0.486 97 R N 2.832 123.334 120.500 0.004 0.000 2.267 97 R HA 0.133 4.472 4.340 -0.001 0.000 0.319 97 R C -0.285 176.009 176.300 -0.010 0.000 1.067 97 R CA -0.246 55.851 56.100 -0.005 0.000 0.936 97 R CB 0.258 30.549 30.300 -0.015 0.000 1.006 97 R HN 0.109 nan 8.270 nan 0.000 0.452 98 N N 5.790 124.483 118.700 -0.012 0.000 2.426 98 N HA 0.123 4.863 4.740 -0.001 0.000 0.257 98 N C -0.801 174.697 175.510 -0.020 0.000 1.002 98 N CA -0.320 52.721 53.050 -0.015 0.000 0.942 98 N CB 0.988 39.467 38.487 -0.014 0.000 1.112 98 N HN 0.700 nan 8.380 nan 0.000 0.499 99 L N 2.916 124.126 121.223 -0.022 0.000 3.096 99 L HA 0.231 4.571 4.340 -0.001 0.000 0.272 99 L C 0.809 177.664 176.870 -0.026 0.000 1.311 99 L CA -0.143 54.681 54.840 -0.027 0.000 0.943 99 L CB 0.479 42.520 42.059 -0.030 0.000 1.348 99 L HN 0.452 nan 8.230 nan 0.000 0.562 100 S N -1.202 114.485 115.700 -0.021 0.000 2.655 100 S HA 0.124 4.593 4.470 -0.001 0.000 0.231 100 S C 0.739 175.329 174.600 -0.016 0.000 1.044 100 S CA -0.151 58.039 58.200 -0.017 0.000 0.910 100 S CB 0.128 63.320 63.200 -0.012 0.000 0.833 100 S HN 0.527 nan 8.310 nan 0.000 0.581 101 N N 1.612 120.305 118.700 -0.011 0.000 2.374 101 N HA 0.101 4.840 4.740 -0.001 0.000 0.241 101 N C -1.000 174.497 175.510 -0.022 0.000 1.262 101 N CA 0.515 53.561 53.050 -0.007 0.000 0.880 101 N CB 0.313 38.803 38.487 0.005 0.000 1.105 101 N HN 0.084 nan 8.380 nan 0.000 0.438 102 T N 2.490 117.030 114.554 -0.023 0.000 3.060 102 T HA 0.278 4.627 4.350 -0.001 0.000 0.367 102 T C -0.025 174.652 174.700 -0.039 0.000 1.229 102 T CA -0.577 61.497 62.100 -0.042 0.000 1.104 102 T CB 0.101 68.939 68.868 -0.050 0.000 1.083 102 T HN 0.268 nan 8.240 nan 0.000 0.524 103 I N 3.115 123.663 120.570 -0.037 0.000 2.581 103 I HA 0.478 4.647 4.170 -0.001 0.000 0.288 103 I C 0.350 176.464 176.117 -0.005 0.000 1.047 103 I CA -0.790 60.503 61.300 -0.012 0.000 1.374 103 I CB 0.917 38.909 38.000 -0.013 0.000 1.423 103 I HN 0.204 nan 8.210 nan 0.000 0.549 104 V N 4.754 124.685 119.914 0.030 0.000 2.823 104 V HA 0.425 4.545 4.120 -0.001 0.000 0.312 104 V C -0.418 175.731 176.094 0.092 0.000 1.072 104 V CA -0.691 61.611 62.300 0.005 0.000 0.937 104 V CB 2.517 34.281 31.823 -0.099 0.000 1.013 104 V HN 0.744 nan 8.190 nan 0.000 0.430 105 H N 4.252 123.283 119.070 -0.066 0.000 2.744 105 H HA 0.605 5.160 4.556 -0.001 0.000 0.339 105 H C -1.649 173.560 175.328 -0.199 0.000 1.004 105 H CA -0.524 55.436 56.048 -0.147 0.000 1.257 105 H CB 1.718 31.426 29.762 -0.090 0.000 1.552 105 H HN 0.590 nan 8.280 nan 0.000 0.522 106 I N 4.076 124.246 120.570 -0.666 0.000 2.404 106 I HA 0.158 4.327 4.170 -0.001 0.000 0.293 106 I C -0.465 175.294 176.117 -0.597 0.000 0.992 106 I CA -0.473 60.531 61.300 -0.494 0.000 1.149 106 I CB 1.858 39.614 38.000 -0.406 0.000 1.315 106 I HN 0.566 nan 8.210 nan 0.000 0.446 107 D N 6.845 127.022 120.400 -0.372 0.000 2.517 107 D HA 0.328 4.967 4.640 -0.001 0.000 0.263 107 D C -0.620 175.545 176.300 -0.225 0.000 1.233 107 D CA -0.445 53.362 54.000 -0.322 0.000 0.849 107 D CB 0.680 41.376 40.800 -0.173 0.000 1.261 107 D HN 0.363 nan 8.370 nan 0.000 0.516 108 M N 2.275 121.720 119.600 -0.258 0.000 2.611 108 M HA 0.080 4.559 4.480 -0.001 0.000 0.361 108 M C -0.110 176.160 176.300 -0.050 0.000 1.761 108 M CA 0.186 55.410 55.300 -0.127 0.000 1.145 108 M CB -0.203 32.347 32.600 -0.084 0.000 2.121 108 M HN 0.276 nan 8.290 nan 0.000 0.465 109 D N 3.406 123.814 120.400 0.013 0.000 2.908 109 D HA 0.029 4.668 4.640 -0.001 0.000 0.215 109 D C 1.206 177.504 176.300 -0.003 0.000 1.095 109 D CA 1.246 55.282 54.000 0.059 0.000 0.812 109 D CB 0.284 41.230 40.800 0.243 0.000 1.180 109 D HN 0.792 nan 8.370 nan 0.000 0.512 110 A N 2.144 124.847 122.820 -0.196 0.000 1.444 110 A HA -0.376 3.943 4.320 -0.001 0.000 0.359 110 A C 1.463 179.030 177.584 -0.028 0.000 1.627 110 A CA 2.432 54.334 52.037 -0.226 0.000 1.086 110 A CB -1.606 17.253 19.000 -0.235 0.000 1.473 110 A HN 1.208 nan 8.150 nan 0.000 0.720 111 F N -4.368 115.479 119.950 -0.172 0.000 2.392 111 F HA -0.383 4.143 4.527 -0.001 0.000 0.630 111 F C 1.459 177.175 175.800 -0.140 0.000 0.485 111 F CA 2.367 60.272 58.000 -0.159 0.000 0.825 111 F CB -1.638 37.217 39.000 -0.242 0.000 2.882 111 F HN 0.609 nan 8.300 nan 0.000 0.236 112 Y N 0.297 120.313 120.300 -0.473 0.000 2.073 112 Y HA -0.395 4.154 4.550 -0.001 0.000 0.270 112 Y C 2.474 178.135 175.900 -0.399 0.000 1.226 112 Y CA 1.667 59.283 58.100 -0.808 0.000 1.117 112 Y CB -1.068 37.053 38.460 -0.565 0.000 0.939 112 Y HN 0.553 nan 8.280 nan 0.000 0.504 113 A N -0.196 122.601 122.820 -0.039 0.000 1.872 113 A HA -0.072 4.248 4.320 -0.001 0.000 0.214 113 A C 2.349 179.914 177.584 -0.031 0.000 1.187 113 A CA 1.420 53.444 52.037 -0.022 0.000 0.614 113 A CB -1.092 17.887 19.000 -0.034 0.000 0.826 113 A HN 0.447 nan 8.150 nan 0.000 0.442 114 A N -0.697 122.091 122.820 -0.052 0.000 2.019 114 A HA 0.075 4.394 4.320 -0.001 0.000 0.219 114 A C 2.168 179.725 177.584 -0.046 0.000 1.164 114 A CA 1.742 53.767 52.037 -0.021 0.000 0.644 114 A CB -0.614 18.393 19.000 0.013 0.000 0.805 114 A HN 0.326 nan 8.150 nan 0.000 0.449 115 V N -0.135 119.703 119.914 -0.127 0.000 2.283 115 V HA -0.136 3.983 4.120 -0.001 0.000 0.239 115 V C 2.375 178.466 176.094 -0.004 0.000 1.035 115 V CA 1.680 63.918 62.300 -0.103 0.000 1.018 115 V CB -0.686 31.023 31.823 -0.191 0.000 0.658 115 V HN 0.514 nan 8.190 nan 0.000 0.459 116 E N -0.253 119.974 120.200 0.046 0.000 2.219 116 E HA -0.291 4.059 4.350 -0.001 0.000 0.198 116 E C 1.859 178.478 176.600 0.032 0.000 0.998 116 E CA 1.866 58.300 56.400 0.056 0.000 0.818 116 E CB -0.183 29.566 29.700 0.082 0.000 0.741 116 E HN 0.619 nan 8.360 nan 0.000 0.477 117 M N 0.091 119.707 119.600 0.027 0.000 2.184 117 M HA -0.067 4.412 4.480 -0.001 0.000 0.244 117 M C 2.473 178.792 176.300 0.033 0.000 1.141 117 M CA 0.947 56.269 55.300 0.037 0.000 1.161 117 M CB -0.103 32.528 32.600 0.051 0.000 1.237 117 M HN -0.185 nan 8.290 nan 0.000 0.444 118 R N 0.170 120.689 120.500 0.032 0.000 2.154 118 R HA -0.174 4.166 4.340 -0.001 0.000 0.248 118 R C -0.324 175.988 176.300 0.020 0.000 1.155 118 R CA 1.915 58.034 56.100 0.031 0.000 0.979 118 R CB -0.305 30.014 30.300 0.032 0.000 0.869 118 R HN 0.453 nan 8.270 nan 0.000 0.452 119 D N -0.089 120.317 120.400 0.010 0.000 3.168 119 D HA 0.123 4.762 4.640 -0.001 0.000 0.255 119 D C -0.830 175.473 176.300 0.005 0.000 1.314 119 D CA 0.260 54.263 54.000 0.005 0.000 0.900 119 D CB -0.178 40.619 40.800 -0.005 0.000 1.072 119 D HN 0.369 nan 8.370 nan 0.000 0.487 120 N N 0.252 118.958 118.700 0.011 0.000 3.872 120 N HA -0.058 4.682 4.740 -0.001 0.000 0.107 120 N C -2.687 172.833 175.510 0.017 0.000 0.867 120 N CA -0.613 52.443 53.050 0.010 0.000 3.018 120 N CB 0.066 38.557 38.487 0.007 0.000 1.338 120 N HN -0.113 nan 8.380 nan 0.000 0.798 121 P HA -0.121 nan 4.420 nan 0.000 0.283 121 P C 0.659 177.972 177.300 0.023 0.000 1.613 121 P CA 1.189 64.303 63.100 0.024 0.000 1.293 121 P CB 0.331 32.044 31.700 0.021 0.000 0.976 122 E N -3.247 116.966 120.200 0.022 0.000 4.459 122 E HA -0.203 4.146 4.350 -0.001 0.000 0.312 122 E C 0.149 176.764 176.600 0.025 0.000 0.670 122 E CA 1.796 58.208 56.400 0.020 0.000 1.781 122 E CB -2.196 27.514 29.700 0.017 0.000 1.823 122 E HN 0.294 nan 8.360 nan 0.000 0.453 123 L N 1.292 122.536 121.223 0.034 0.000 2.818 123 L HA 0.339 4.679 4.340 -0.001 0.000 0.243 123 L C 1.786 178.693 176.870 0.062 0.000 1.185 123 L CA 0.290 55.158 54.840 0.047 0.000 0.988 123 L CB -0.007 42.083 42.059 0.051 0.000 1.292 123 L HN 0.168 nan 8.230 nan 0.000 0.519 124 K N -0.374 120.056 120.400 0.050 0.000 2.209 124 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 124 K C 0.308 176.948 176.600 0.067 0.000 1.048 124 K CA 1.763 58.087 56.287 0.062 0.000 0.940 124 K CB -0.122 32.404 32.500 0.044 0.000 0.729 124 K HN 0.387 nan 8.250 nan 0.000 0.451 125 D N 1.069 121.483 120.400 0.024 0.000 2.999 125 D HA 0.020 4.659 4.640 -0.001 0.000 0.273 125 D C -0.449 175.831 176.300 -0.033 0.000 1.485 125 D CA -0.471 53.493 54.000 -0.060 0.000 1.101 125 D CB -0.197 40.560 40.800 -0.071 0.000 1.109 125 D HN -0.062 nan 8.370 nan 0.000 0.368 126 K N 1.656 122.059 120.400 0.005 0.000 2.558 126 K HA -0.066 4.253 4.320 -0.001 0.000 0.269 126 K C -2.426 174.243 176.600 0.116 0.000 0.999 126 K CA 0.037 56.354 56.287 0.051 0.000 1.103 126 K CB -0.554 31.972 32.500 0.044 0.000 0.800 126 K HN 0.121 nan 8.250 nan 0.000 0.475 127 P HA 0.097 nan 4.420 nan 0.000 0.284 127 P C -0.049 177.333 177.300 0.137 0.000 1.343 127 P CA -0.181 63.043 63.100 0.207 0.000 0.826 127 P CB 0.363 32.247 31.700 0.306 0.000 0.956 128 I N 0.854 121.496 120.570 0.119 0.000 4.846 128 I HA 0.869 5.039 4.170 -0.001 0.000 0.181 128 I C -0.343 175.821 176.117 0.079 0.000 1.569 128 I CA -1.307 60.043 61.300 0.084 0.000 1.198 128 I CB 0.127 38.170 38.000 0.071 0.000 1.741 128 I HN 0.289 nan 8.210 nan 0.000 0.748 129 A N 0.648 123.507 122.820 0.064 0.000 0.654 129 A HA 0.344 4.664 4.320 -0.001 0.000 0.174 129 A C -0.771 176.852 177.584 0.064 0.000 0.899 129 A CA -0.655 51.417 52.037 0.059 0.000 0.574 129 A CB -1.413 17.626 19.000 0.064 0.000 0.349 129 A HN 0.476 nan 8.150 nan 0.000 0.358 130 V N 1.783 121.740 119.914 0.072 0.000 2.763 130 V HA 0.589 4.708 4.120 -0.001 0.000 0.306 130 V C 1.327 177.485 176.094 0.107 0.000 1.059 130 V CA 1.634 63.992 62.300 0.097 0.000 1.138 130 V CB 0.702 32.601 31.823 0.126 0.000 0.940 130 V HN 2.595 nan 8.190 nan 0.000 0.489 131 G N 3.223 112.086 108.800 0.106 0.000 2.347 131 G HA2 0.267 4.226 3.960 -0.001 0.000 0.341 131 G HA3 0.267 4.226 3.960 -0.001 0.000 0.341 131 G C -0.464 174.474 174.900 0.063 0.000 1.287 131 G CA -0.188 44.972 45.100 0.099 0.000 0.984 131 G HN 1.238 nan 8.290 nan 0.000 0.526 132 S N -1.413 114.312 115.700 0.042 0.000 2.647 132 S HA 0.612 5.081 4.470 -0.001 0.000 0.284 132 S C 1.506 176.101 174.600 -0.007 0.000 1.134 132 S CA 0.535 58.742 58.200 0.013 0.000 1.027 132 S CB 1.313 64.511 63.200 -0.004 0.000 1.180 132 S HN 1.446 nan 8.310 nan 0.000 0.521 133 M N 1.217 120.797 119.600 -0.033 0.000 2.556 133 M HA 0.214 4.694 4.480 -0.001 0.000 0.245 133 M C 1.193 177.396 176.300 -0.162 0.000 1.128 133 M CA 0.936 56.203 55.300 -0.055 0.000 1.069 133 M CB -0.415 32.160 32.600 -0.043 0.000 1.469 133 M HN 0.756 nan 8.290 nan 0.000 0.494 134 S N -1.442 114.161 115.700 -0.162 0.000 2.603 134 S HA 0.438 4.908 4.470 -0.001 0.000 0.232 134 S C 0.277 174.782 174.600 -0.159 0.000 1.016 134 S CA -0.560 57.487 58.200 -0.255 0.000 0.976 134 S CB 0.272 63.342 63.200 -0.217 0.000 0.921 134 S HN 0.355 nan 8.310 nan 0.000 0.516 135 M N 1.459 121.015 119.600 -0.074 0.000 2.361 135 M HA 0.328 4.807 4.480 -0.001 0.000 0.274 135 M C -2.397 173.921 176.300 0.029 0.000 1.035 135 M CA -0.115 55.174 55.300 -0.018 0.000 0.907 135 M CB 1.992 34.588 32.600 -0.007 0.000 1.971 135 M HN 0.182 nan 8.290 nan 0.000 0.494 136 L N 2.156 123.405 121.223 0.044 0.000 2.265 136 L HA 0.448 4.787 4.340 -0.001 0.000 0.289 136 L C 1.158 178.077 176.870 0.081 0.000 1.033 136 L CA -0.022 54.857 54.840 0.064 0.000 0.814 136 L CB 1.737 43.831 42.059 0.058 0.000 1.203 136 L HN 0.745 nan 8.230 nan 0.000 0.423 137 S N 0.460 116.232 115.700 0.119 0.000 2.406 137 S HA 0.076 4.546 4.470 -0.001 0.000 0.224 137 S C 0.541 175.194 174.600 0.087 0.000 1.030 137 S CA 0.560 58.853 58.200 0.155 0.000 0.958 137 S CB 0.249 63.627 63.200 0.297 0.000 0.811 137 S HN 0.748 nan 8.310 nan 0.000 0.489 138 T N 0.183 114.782 114.554 0.074 0.000 2.843 138 T HA 0.519 4.868 4.350 -0.001 0.000 0.302 138 T C -1.056 173.641 174.700 -0.004 0.000 1.232 138 T CA -0.608 61.490 62.100 -0.004 0.000 1.009 138 T CB 2.072 70.924 68.868 -0.026 0.000 1.254 138 T HN 0.045 nan 8.240 nan 0.000 0.504 139 S N 1.049 116.715 115.700 -0.055 0.000 2.566 139 S HA 0.536 5.005 4.470 -0.001 0.000 0.298 139 S C -0.824 173.721 174.600 -0.090 0.000 1.083 139 S CA -0.791 57.384 58.200 -0.042 0.000 0.978 139 S CB 1.054 64.236 63.200 -0.029 0.000 1.073 139 S HN 0.646 nan 8.310 nan 0.000 0.491 140 N N 2.544 121.233 118.700 -0.018 0.000 2.488 140 N HA 0.102 4.841 4.740 -0.001 0.000 0.274 140 N C 0.636 176.147 175.510 0.002 0.000 1.111 140 N CA 0.119 53.172 53.050 0.006 0.000 0.974 140 N CB 0.350 38.898 38.487 0.102 0.000 1.089 140 N HN 0.704 nan 8.380 nan 0.000 0.465 141 Y N 2.626 122.885 120.300 -0.069 0.000 2.102 141 Y HA -0.238 4.312 4.550 -0.001 0.000 0.280 141 Y C 2.081 177.869 175.900 -0.187 0.000 1.178 141 Y CA 1.665 59.663 58.100 -0.170 0.000 1.146 141 Y CB -0.312 37.971 38.460 -0.295 0.000 0.968 141 Y HN 0.694 nan 8.280 nan 0.000 0.504 142 H N -1.716 117.457 119.070 0.172 0.000 2.546 142 H HA 0.150 4.706 4.556 -0.001 0.000 0.277 142 H C 2.013 177.398 175.328 0.094 0.000 1.004 142 H CA 0.872 56.966 56.048 0.076 0.000 1.231 142 H CB -0.153 29.666 29.762 0.094 0.000 1.382 142 H HN 0.379 nan 8.280 nan 0.000 0.580 143 A N 0.642 123.599 122.820 0.228 0.000 2.095 143 A HA 0.015 4.334 4.320 -0.001 0.000 0.212 143 A C 2.358 180.059 177.584 0.196 0.000 1.162 143 A CA 0.020 52.220 52.037 0.273 0.000 0.753 143 A CB 0.064 19.177 19.000 0.189 0.000 0.840 143 A HN 0.210 nan 8.150 nan 0.000 0.468 144 R N -0.539 120.019 120.500 0.096 0.000 2.115 144 R HA 0.034 4.373 4.340 -0.001 0.000 0.226 144 R C 2.175 178.485 176.300 0.016 0.000 1.100 144 R CA 0.837 56.973 56.100 0.060 0.000 0.980 144 R CB -0.231 30.096 30.300 0.045 0.000 0.875 144 R HN 0.320 nan 8.270 nan 0.000 0.445 145 R N 0.317 120.766 120.500 -0.085 0.000 2.303 145 R HA -0.104 4.235 4.340 -0.001 0.000 0.225 145 R C 0.659 176.779 176.300 -0.300 0.000 1.114 145 R CA 1.156 57.116 56.100 -0.233 0.000 1.007 145 R CB 0.042 30.114 30.300 -0.381 0.000 0.861 145 R HN 0.260 nan 8.270 nan 0.000 0.471 146 F N -1.825 118.157 119.950 0.053 0.000 2.704 146 F HA 0.223 4.750 4.527 -0.001 0.000 0.304 146 F C 1.644 177.464 175.800 0.032 0.000 1.094 146 F CA 0.302 58.327 58.000 0.041 0.000 1.275 146 F CB 1.205 40.231 39.000 0.044 0.000 1.073 146 F HN 0.221 nan 8.300 nan 0.000 0.586 147 G N 0.129 109.033 108.800 0.175 0.000 2.259 147 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 147 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 147 G C 0.084 175.047 174.900 0.104 0.000 1.001 147 G CA -0.154 45.016 45.100 0.117 0.000 0.627 147 G HN 0.011 nan 8.290 nan 0.000 0.501 148 V N 2.982 122.977 119.914 0.134 0.000 2.493 148 V HA 0.489 4.608 4.120 -0.001 0.000 0.292 148 V C 0.850 176.988 176.094 0.073 0.000 1.016 148 V CA 0.821 63.183 62.300 0.103 0.000 1.097 148 V CB 0.128 32.024 31.823 0.121 0.000 0.947 148 V HN 0.745 nan 8.190 nan 0.000 0.479 149 R N 3.980 124.513 120.500 0.054 0.000 2.836 149 R HA 0.873 5.212 4.340 -0.001 0.000 0.269 149 R C -0.247 176.069 176.300 0.027 0.000 1.010 149 R CA -0.784 55.334 56.100 0.031 0.000 0.930 149 R CB 1.455 31.774 30.300 0.032 0.000 1.218 149 R HN 0.625 nan 8.270 nan 0.000 0.473 150 A N 1.078 123.902 122.820 0.006 0.000 2.504 150 A HA 0.353 4.673 4.320 -0.001 0.000 0.242 150 A C 1.119 178.721 177.584 0.029 0.000 1.100 150 A CA 0.566 52.609 52.037 0.010 0.000 0.786 150 A CB -0.709 18.280 19.000 -0.017 0.000 1.050 150 A HN 1.713 nan 8.150 nan 0.000 0.512 151 A N -1.011 121.832 122.820 0.038 0.000 2.798 151 A HA -0.200 4.119 4.320 -0.001 0.000 0.282 151 A C 0.395 178.007 177.584 0.047 0.000 1.464 151 A CA 1.815 53.880 52.037 0.045 0.000 0.844 151 A CB -2.221 16.807 19.000 0.047 0.000 1.006 151 A HN 1.618 nan 8.150 nan 0.000 0.577 152 M N -0.240 119.389 119.600 0.049 0.000 2.268 152 M HA 0.547 5.026 4.480 -0.001 0.000 0.344 152 M C -2.541 173.796 176.300 0.061 0.000 1.106 152 M CA -2.340 52.995 55.300 0.059 0.000 1.010 152 M CB 1.355 33.995 32.600 0.066 0.000 1.649 152 M HN 0.012 nan 8.290 nan 0.000 0.443 153 P HA -0.013 nan 4.420 nan 0.000 0.269 153 P C 0.214 177.575 177.300 0.103 0.000 1.205 153 P CA 0.358 63.494 63.100 0.059 0.000 0.780 153 P CB 0.435 32.257 31.700 0.204 0.000 0.858 154 G N 1.377 110.172 108.800 -0.009 0.000 2.464 154 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.214 154 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.214 154 G C 1.343 176.360 174.900 0.195 0.000 1.218 154 G CA 0.627 45.750 45.100 0.039 0.000 0.794 154 G HN 0.671 nan 8.290 nan 0.000 0.542 155 F N 0.355 120.299 119.950 -0.009 0.000 2.091 155 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 155 F C 2.520 178.312 175.800 -0.013 0.000 1.103 155 F CA 0.643 58.637 58.000 -0.010 0.000 1.228 155 F CB -0.607 38.387 39.000 -0.011 0.000 0.984 155 F HN 0.057 nan 8.300 nan 0.000 0.477 156 I N 1.730 122.557 120.570 0.429 0.000 2.118 156 I HA -0.350 3.819 4.170 -0.001 0.000 0.241 156 I C 3.134 179.292 176.117 0.068 0.000 1.070 156 I CA 1.401 62.727 61.300 0.043 0.000 1.327 156 I CB -0.812 37.233 38.000 0.075 0.000 1.034 156 I HN 0.328 nan 8.210 nan 0.000 0.405 157 A N 0.622 123.514 122.820 0.120 0.000 1.884 157 A HA -0.353 3.966 4.320 -0.001 0.000 0.219 157 A C 2.315 179.929 177.584 0.050 0.000 1.197 157 A CA 2.591 54.677 52.037 0.082 0.000 0.637 157 A CB -0.688 18.365 19.000 0.088 0.000 0.827 157 A HN 0.372 nan 8.150 nan 0.000 0.450 158 K N -0.491 119.942 120.400 0.055 0.000 2.097 158 K HA -0.029 4.291 4.320 -0.001 0.000 0.205 158 K C 1.396 177.988 176.600 -0.014 0.000 1.050 158 K CA 0.875 57.172 56.287 0.018 0.000 0.938 158 K CB -0.087 32.434 32.500 0.036 0.000 0.718 158 K HN 0.398 nan 8.250 nan 0.000 0.442 159 R N 0.522 121.014 120.500 -0.013 0.000 4.054 159 R HA 0.031 4.370 4.340 -0.001 0.000 0.227 159 R C 0.249 176.523 176.300 -0.043 0.000 1.902 159 R CA 0.152 56.224 56.100 -0.046 0.000 1.590 159 R CB 0.024 30.273 30.300 -0.086 0.000 1.245 159 R HN 0.158 nan 8.270 nan 0.000 0.647 160 L N -2.309 118.891 121.223 -0.038 0.000 4.478 160 L HA 0.146 4.486 4.340 -0.001 0.000 0.444 160 L C -1.001 175.823 176.870 -0.077 0.000 1.013 160 L CA 0.211 55.036 54.840 -0.024 0.000 1.688 160 L CB 1.328 43.398 42.059 0.019 0.000 1.834 160 L HN 0.201 nan 8.230 nan 0.000 0.629 161 C N 0.132 119.365 119.300 -0.112 0.000 3.212 161 C HA 0.387 4.847 4.460 -0.001 0.000 0.367 161 C C -1.890 173.012 174.990 -0.146 0.000 0.979 161 C CA -0.584 58.296 59.018 -0.230 0.000 1.283 161 C CB 0.448 28.072 27.740 -0.195 0.000 1.644 161 C HN 0.155 nan 8.230 nan 0.000 0.575 162 P HA -0.134 nan 4.420 nan 0.000 0.221 162 P C 1.411 178.668 177.300 -0.072 0.000 1.145 162 P CA 1.451 64.502 63.100 -0.082 0.000 0.795 162 P CB 0.084 31.737 31.700 -0.078 0.000 0.775 163 Q N -1.162 118.572 119.800 -0.110 0.000 2.515 163 Q HA -0.039 4.300 4.340 -0.001 0.000 0.212 163 Q C 0.403 176.388 176.000 -0.025 0.000 0.970 163 Q CA -0.093 55.669 55.803 -0.069 0.000 0.941 163 Q CB -0.472 28.211 28.738 -0.091 0.000 0.998 163 Q HN 0.224 nan 8.270 nan 0.000 0.518 164 L N 1.660 122.869 121.223 -0.024 0.000 2.737 164 L HA -0.095 4.244 4.340 -0.001 0.000 0.275 164 L C -0.127 176.757 176.870 0.023 0.000 1.179 164 L CA 1.097 55.945 54.840 0.013 0.000 0.970 164 L CB 0.138 42.209 42.059 0.018 0.000 1.268 164 L HN 0.090 nan 8.230 nan 0.000 0.485 165 I N 7.425 128.016 120.570 0.036 0.000 2.517 165 I HA 0.133 4.303 4.170 -0.001 0.000 0.289 165 I C 0.499 176.641 176.117 0.041 0.000 1.149 165 I CA -0.443 60.878 61.300 0.035 0.000 1.189 165 I CB -0.223 37.800 38.000 0.038 0.000 1.641 165 I HN 0.546 nan 8.210 nan 0.000 0.560 166 I N 1.431 122.025 120.570 0.040 0.000 2.992 166 I HA 0.030 4.199 4.170 -0.001 0.000 0.309 166 I C 0.189 176.331 176.117 0.042 0.000 1.170 166 I CA -0.012 61.314 61.300 0.044 0.000 1.862 166 I CB -0.679 37.344 38.000 0.039 0.000 1.579 166 I HN 0.022 nan 8.210 nan 0.000 0.885 167 V N 8.290 128.232 119.914 0.047 0.000 2.485 167 V HA 0.108 4.228 4.120 -0.001 0.000 0.287 167 V C -1.339 174.788 176.094 0.054 0.000 1.022 167 V CA -1.003 61.324 62.300 0.045 0.000 1.067 167 V CB 0.106 31.958 31.823 0.049 0.000 0.967 167 V HN 0.648 nan 8.190 nan 0.000 0.479 168 P HA 0.179 nan 4.420 nan 0.000 0.269 168 P C -2.297 175.042 177.300 0.065 0.000 1.215 168 P CA -1.107 62.022 63.100 0.050 0.000 0.780 168 P CB 0.168 31.884 31.700 0.027 0.000 0.898 169 P HA -0.076 nan 4.420 nan 0.000 0.287 169 P C 0.230 177.531 177.300 0.002 0.000 1.282 169 P CA 0.462 63.649 63.100 0.145 0.000 0.804 169 P CB 0.243 32.130 31.700 0.313 0.000 1.323 170 N N -3.219 115.401 118.700 -0.134 0.000 3.560 170 N HA -0.015 4.724 4.740 -0.001 0.000 0.139 170 N C 0.520 175.593 175.510 -0.729 0.000 0.998 170 N CA -0.116 52.689 53.050 -0.408 0.000 2.848 170 N CB -0.940 37.232 38.487 -0.524 0.000 1.325 170 N HN -0.041 nan 8.380 nan 0.000 0.781 171 F N 1.405 121.054 119.950 -0.501 0.000 2.158 171 F HA -0.293 4.233 4.527 -0.001 0.000 0.299 171 F C 2.282 177.925 175.800 -0.263 0.000 1.060 171 F CA 2.342 60.179 58.000 -0.271 0.000 1.284 171 F CB -0.108 38.858 39.000 -0.057 0.000 1.035 171 F HN 0.385 nan 8.300 nan 0.000 0.496 172 D N 0.123 120.460 120.400 -0.106 0.000 2.103 172 D HA -0.210 4.429 4.640 -0.001 0.000 0.199 172 D C 2.052 178.245 176.300 -0.179 0.000 0.978 172 D CA 1.211 55.158 54.000 -0.088 0.000 0.829 172 D CB -0.806 39.953 40.800 -0.069 0.000 0.981 172 D HN 0.314 nan 8.370 nan 0.000 0.464 173 K N 0.152 120.331 120.400 -0.370 0.000 2.152 173 K HA -0.184 4.136 4.320 -0.001 0.000 0.206 173 K C 2.128 178.585 176.600 -0.239 0.000 1.048 173 K CA 1.139 57.219 56.287 -0.345 0.000 0.933 173 K CB -0.155 32.074 32.500 -0.451 0.000 0.721 173 K HN 0.328 nan 8.250 nan 0.000 0.447 174 Y N -0.712 119.502 120.300 -0.143 0.000 2.231 174 Y HA -0.001 4.548 4.550 -0.001 0.000 0.294 174 Y C 2.538 178.453 175.900 0.025 0.000 1.120 174 Y CA 0.228 58.245 58.100 -0.139 0.000 1.141 174 Y CB -0.151 38.175 38.460 -0.223 0.000 1.022 174 Y HN -0.081 nan 8.280 nan 0.000 0.523 175 R N 0.737 121.341 120.500 0.173 0.000 2.113 175 R HA -0.258 4.081 4.340 -0.001 0.000 0.244 175 R C 2.480 178.854 176.300 0.123 0.000 1.142 175 R CA 1.649 57.844 56.100 0.159 0.000 0.953 175 R CB -0.626 29.747 30.300 0.121 0.000 0.860 175 R HN 0.386 nan 8.270 nan 0.000 0.438 176 A N -0.129 122.735 122.820 0.073 0.000 2.076 176 A HA -0.113 4.207 4.320 -0.001 0.000 0.220 176 A C 2.146 179.779 177.584 0.082 0.000 1.160 176 A CA 1.500 53.573 52.037 0.059 0.000 0.653 176 A CB -0.157 18.856 19.000 0.021 0.000 0.801 176 A HN 0.196 nan 8.150 nan 0.000 0.455 177 V N -1.375 118.606 119.914 0.112 0.000 2.599 177 V HA -0.093 4.027 4.120 -0.001 0.000 0.245 177 V C 2.615 178.828 176.094 0.198 0.000 1.046 177 V CA 1.685 64.067 62.300 0.137 0.000 1.065 177 V CB -0.468 31.427 31.823 0.120 0.000 0.703 177 V HN 0.615 nan 8.190 nan 0.000 0.464 178 S N 0.312 116.160 115.700 0.247 0.000 2.354 178 S HA -0.303 4.166 4.470 -0.001 0.000 0.219 178 S C 2.146 176.831 174.600 0.142 0.000 1.035 178 S CA 2.299 60.627 58.200 0.214 0.000 1.037 178 S CB -0.317 63.009 63.200 0.209 0.000 0.956 178 S HN 0.538 nan 8.310 nan 0.000 0.428 179 K N 0.623 121.104 120.400 0.134 0.000 2.218 179 K HA -0.131 4.189 4.320 -0.001 0.000 0.205 179 K C 2.176 178.844 176.600 0.112 0.000 1.046 179 K CA 1.558 57.917 56.287 0.120 0.000 0.933 179 K CB -0.181 32.380 32.500 0.103 0.000 0.728 179 K HN 0.514 nan 8.250 nan 0.000 0.454 180 E N -0.385 119.879 120.200 0.107 0.000 2.106 180 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 180 E C 1.745 178.401 176.600 0.093 0.000 0.984 180 E CA 0.966 57.422 56.400 0.094 0.000 0.806 180 E CB 0.254 30.007 29.700 0.088 0.000 0.750 180 E HN 0.165 nan 8.360 nan 0.000 0.458 181 V N 0.308 120.277 119.914 0.091 0.000 2.685 181 V HA -0.079 4.040 4.120 -0.001 0.000 0.244 181 V C 1.667 177.792 176.094 0.051 0.000 1.054 181 V CA 1.111 63.445 62.300 0.057 0.000 1.076 181 V CB -0.029 31.811 31.823 0.028 0.000 0.725 181 V HN 0.120 nan 8.190 nan 0.000 0.467 182 K N 0.188 120.633 120.400 0.076 0.000 2.286 182 K HA -0.265 4.054 4.320 -0.001 0.000 0.203 182 K C 1.975 178.720 176.600 0.242 0.000 1.045 182 K CA 1.895 58.268 56.287 0.143 0.000 0.935 182 K CB -0.108 32.529 32.500 0.228 0.000 0.737 182 K HN 0.644 nan 8.250 nan 0.000 0.460 183 E N 1.262 121.566 120.200 0.173 0.000 2.031 183 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 183 E C 1.888 178.601 176.600 0.189 0.000 0.994 183 E CA 1.214 57.717 56.400 0.171 0.000 0.800 183 E CB -0.029 29.748 29.700 0.129 0.000 0.752 183 E HN 0.277 nan 8.360 nan 0.000 0.447 184 I N 1.285 121.952 120.570 0.160 0.000 2.286 184 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 184 I C 2.529 178.804 176.117 0.263 0.000 1.115 184 I CA 0.740 62.156 61.300 0.193 0.000 1.392 184 I CB -0.400 37.678 38.000 0.130 0.000 1.065 184 I HN 0.199 nan 8.210 nan 0.000 0.418 185 L N 1.109 122.442 121.223 0.184 0.000 1.955 185 L HA -0.246 4.094 4.340 -0.001 0.000 0.213 185 L C 2.956 180.074 176.870 0.413 0.000 1.072 185 L CA 1.628 56.568 54.840 0.167 0.000 0.755 185 L CB -0.986 40.934 42.059 -0.233 0.000 0.888 185 L HN 0.263 nan 8.230 nan 0.000 0.432 186 A N -0.237 122.927 122.820 0.573 0.000 2.104 186 A HA -0.294 4.025 4.320 -0.001 0.000 0.223 186 A C 1.862 179.609 177.584 0.271 0.000 1.164 186 A CA 2.209 54.499 52.037 0.422 0.000 0.659 186 A CB -0.709 18.431 19.000 0.233 0.000 0.808 186 A HN 0.515 nan 8.150 nan 0.000 0.465 187 D N -1.881 118.671 120.400 0.252 0.000 2.178 187 D HA -0.126 4.513 4.640 -0.001 0.000 0.202 187 D C 1.410 177.684 176.300 -0.043 0.000 0.974 187 D CA 1.472 55.526 54.000 0.089 0.000 0.841 187 D CB -0.129 40.689 40.800 0.030 0.000 0.953 187 D HN 0.709 nan 8.370 nan 0.000 0.478 188 Y N -0.028 120.388 120.300 0.193 0.000 2.396 188 Y HA 0.100 4.650 4.550 -0.001 0.000 0.292 188 Y C 0.761 176.757 175.900 0.159 0.000 1.128 188 Y CA 0.049 58.246 58.100 0.161 0.000 1.194 188 Y CB 0.585 38.993 38.460 -0.087 0.000 1.124 188 Y HN -0.232 nan 8.280 nan 0.000 0.543 189 D N 0.688 121.287 120.400 0.330 0.000 2.389 189 D HA 0.179 4.818 4.640 -0.001 0.000 0.256 189 D C -2.225 174.263 176.300 0.314 0.000 1.239 189 D CA -2.633 51.534 54.000 0.278 0.000 0.925 189 D CB 1.710 42.661 40.800 0.253 0.000 1.145 189 D HN -0.061 nan 8.370 nan 0.000 0.542 190 P HA -0.156 nan 4.420 nan 0.000 0.211 190 P C 0.476 177.740 177.300 -0.060 0.000 1.179 190 P CA 0.742 63.881 63.100 0.065 0.000 0.910 190 P CB 0.113 31.842 31.700 0.049 0.000 0.785 191 N N 0.401 119.101 118.700 0.001 0.000 2.892 191 N HA 0.052 4.791 4.740 -0.001 0.000 0.300 191 N C 0.027 175.579 175.510 0.070 0.000 1.211 191 N CA -0.348 52.688 53.050 -0.022 0.000 1.158 191 N CB -0.973 37.527 38.487 0.021 0.000 1.455 191 N HN -0.007 nan 8.380 nan 0.000 0.524 192 F N 0.490 120.473 119.950 0.054 0.000 2.635 192 F HA 0.712 5.239 4.527 -0.001 0.000 0.362 192 F C -0.255 175.577 175.800 0.054 0.000 1.182 192 F CA -1.603 56.430 58.000 0.055 0.000 1.119 192 F CB 0.630 39.663 39.000 0.054 0.000 1.713 192 F HN 0.093 nan 8.300 nan 0.000 0.512 193 M N 1.105 121.203 119.600 0.831 0.000 2.307 193 M HA 0.628 5.108 4.480 -0.001 0.000 0.279 193 M C -2.413 174.089 176.300 0.336 0.000 1.080 193 M CA -0.530 55.069 55.300 0.497 0.000 0.964 193 M CB 1.759 34.523 32.600 0.273 0.000 1.825 193 M HN 1.098 nan 8.290 nan 0.000 0.489 194 A N 5.349 128.335 122.820 0.277 0.000 2.303 194 A HA 0.618 4.937 4.320 -0.001 0.000 0.320 194 A C 0.477 178.088 177.584 0.046 0.000 1.192 194 A CA -0.743 51.327 52.037 0.056 0.000 0.821 194 A CB 0.939 19.976 19.000 0.062 0.000 1.188 194 A HN 0.985 nan 8.150 nan 0.000 0.492 195 M N 1.401 120.981 119.600 -0.034 0.000 2.132 195 M HA -0.013 4.467 4.480 -0.001 0.000 0.263 195 M C 1.291 177.587 176.300 -0.007 0.000 1.065 195 M CA 1.887 57.187 55.300 0.000 0.000 1.122 195 M CB -1.581 30.998 32.600 -0.036 0.000 1.365 195 M HN 0.986 nan 8.290 nan 0.000 0.411 196 S N -1.550 114.111 115.700 -0.065 0.000 3.576 196 S HA 0.483 4.952 4.470 -0.001 0.000 0.321 196 S C 0.518 175.070 174.600 -0.079 0.000 1.174 196 S CA -0.802 57.374 58.200 -0.039 0.000 1.102 196 S CB 0.636 63.803 63.200 -0.054 0.000 1.467 196 S HN 0.223 nan 8.310 nan 0.000 0.701 197 L N 0.478 121.657 121.223 -0.073 0.000 2.585 197 L HA 0.414 4.753 4.340 -0.001 0.000 0.226 197 L C 1.555 178.097 176.870 -0.546 0.000 1.113 197 L CA 0.720 55.510 54.840 -0.083 0.000 0.876 197 L CB -0.446 41.756 42.059 0.237 0.000 1.072 197 L HN 0.668 nan 8.230 nan 0.000 0.468 198 D N 0.158 120.229 120.400 -0.548 0.000 2.277 198 D HA -0.022 4.617 4.640 -0.001 0.000 0.209 198 D C 0.640 176.583 176.300 -0.594 0.000 0.970 198 D CA 0.397 53.950 54.000 -0.745 0.000 0.874 198 D CB 0.710 41.200 40.800 -0.517 0.000 0.982 198 D HN 0.432 nan 8.370 nan 0.000 0.504 199 E N -0.991 118.928 120.200 -0.469 0.000 2.412 199 E HA 0.653 5.002 4.350 -0.001 0.000 0.279 199 E C -1.698 174.586 176.600 -0.526 0.000 0.984 199 E CA -1.311 54.760 56.400 -0.548 0.000 0.788 199 E CB 1.912 31.297 29.700 -0.526 0.000 1.277 199 E HN -0.051 nan 8.360 nan 0.000 0.455 200 A N 1.311 123.723 122.820 -0.679 0.000 2.566 200 A HA 0.567 4.887 4.320 -0.001 0.000 0.297 200 A C -2.022 175.247 177.584 -0.526 0.000 1.059 200 A CA -0.755 50.962 52.037 -0.534 0.000 0.691 200 A CB 0.874 19.591 19.000 -0.471 0.000 1.282 200 A HN 0.491 nan 8.150 nan 0.000 0.401 201 Y N 0.670 120.882 120.300 -0.147 0.000 2.432 201 Y HA 0.741 5.290 4.550 -0.001 0.000 0.322 201 Y C 0.424 176.274 175.900 -0.084 0.000 1.246 201 Y CA -0.614 57.447 58.100 -0.065 0.000 1.268 201 Y CB 1.561 40.036 38.460 0.025 0.000 1.276 201 Y HN 0.778 nan 8.280 nan 0.000 0.499 202 L N -0.201 121.102 121.223 0.133 0.000 2.795 202 L HA 0.390 4.730 4.340 -0.001 0.000 0.260 202 L C -1.144 175.768 176.870 0.070 0.000 0.935 202 L CA -0.750 54.147 54.840 0.095 0.000 0.985 202 L CB 1.364 43.429 42.059 0.009 0.000 1.433 202 L HN 0.683 nan 8.230 nan 0.000 0.447 203 N N 4.693 123.444 118.700 0.086 0.000 2.892 203 N HA 0.138 4.877 4.740 -0.001 0.000 0.300 203 N C 0.879 176.419 175.510 0.051 0.000 1.211 203 N CA -0.370 52.713 53.050 0.054 0.000 1.158 203 N CB 0.336 38.859 38.487 0.060 0.000 1.455 203 N HN 0.865 nan 8.380 nan 0.000 0.524 204 I N 0.056 120.636 120.570 0.017 0.000 3.264 204 I HA -0.029 4.141 4.170 -0.001 0.000 0.310 204 I C 1.170 177.296 176.117 0.014 0.000 1.072 204 I CA 0.138 61.438 61.300 0.001 0.000 1.422 204 I CB -0.389 37.547 38.000 -0.107 0.000 1.068 204 I HN 0.199 nan 8.210 nan 0.000 0.635 205 T N 0.747 115.321 114.554 0.034 0.000 2.939 205 T HA -0.014 4.336 4.350 -0.001 0.000 0.254 205 T C 1.878 176.606 174.700 0.047 0.000 1.041 205 T CA 0.930 63.047 62.100 0.027 0.000 1.142 205 T CB 0.105 68.986 68.868 0.021 0.000 0.874 205 T HN 0.377 nan 8.240 nan 0.000 0.452 206 K N 0.661 121.101 120.400 0.066 0.000 2.057 206 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 206 K C 2.028 178.673 176.600 0.075 0.000 1.049 206 K CA 1.781 58.108 56.287 0.067 0.000 0.931 206 K CB -0.873 31.674 32.500 0.078 0.000 0.714 206 K HN 0.683 nan 8.250 nan 0.000 0.440 207 H N 0.704 119.758 119.070 -0.027 0.000 2.270 207 H HA 0.032 4.587 4.556 -0.001 0.000 0.299 207 H C 2.134 177.345 175.328 -0.195 0.000 1.077 207 H CA 1.620 57.603 56.048 -0.108 0.000 1.294 207 H CB -0.163 29.560 29.762 -0.065 0.000 1.371 207 H HN -0.009 nan 8.280 nan 0.000 0.491 208 L N 0.531 121.901 121.223 0.246 0.000 2.270 208 L HA -0.208 4.131 4.340 -0.001 0.000 0.217 208 L C 2.537 179.390 176.870 -0.029 0.000 1.107 208 L CA 1.461 56.369 54.840 0.112 0.000 0.772 208 L CB -0.378 41.706 42.059 0.043 0.000 0.902 208 L HN 0.516 nan 8.230 nan 0.000 0.439 209 E N 0.819 121.001 120.200 -0.030 0.000 2.006 209 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 209 E C 1.891 178.446 176.600 -0.075 0.000 0.993 209 E CA 1.790 58.170 56.400 -0.033 0.000 0.808 209 E CB -0.116 29.580 29.700 -0.006 0.000 0.764 209 E HN 0.445 nan 8.360 nan 0.000 0.449 210 E N 0.143 120.269 120.200 -0.122 0.000 2.072 210 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 210 E C 2.172 178.522 176.600 -0.418 0.000 0.985 210 E CA 0.753 57.085 56.400 -0.114 0.000 0.801 210 E CB -0.296 29.407 29.700 0.004 0.000 0.750 210 E HN 0.155 nan 8.360 nan 0.000 0.452 211 R N 1.305 121.259 120.500 -0.910 0.000 2.377 211 R HA -0.178 4.161 4.340 -0.001 0.000 0.207 211 R C 1.968 178.056 176.300 -0.354 0.000 1.075 211 R CA 0.624 56.023 56.100 -1.168 0.000 1.035 211 R CB 0.041 29.817 30.300 -0.874 0.000 0.857 211 R HN 0.091 nan 8.270 nan 0.000 0.475 212 Q N 0.928 120.626 119.800 -0.170 0.000 1.993 212 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 212 Q C -0.080 175.953 176.000 0.054 0.000 0.984 212 Q CA 1.659 57.446 55.803 -0.027 0.000 0.837 212 Q CB 0.216 28.951 28.738 -0.004 0.000 0.902 212 Q HN 0.226 nan 8.270 nan 0.000 0.423 213 N N -0.296 118.479 118.700 0.125 0.000 3.114 213 N HA 0.086 4.826 4.740 -0.001 0.000 0.289 213 N C -1.132 174.583 175.510 0.342 0.000 1.519 213 N CA -0.017 53.141 53.050 0.179 0.000 1.026 213 N CB 0.139 38.701 38.487 0.124 0.000 1.306 213 N HN 0.304 nan 8.380 nan 0.000 0.495 214 W N 0.650 121.951 121.300 0.001 0.000 2.771 214 W HA 0.333 4.993 4.660 -0.001 0.000 0.412 214 W C -2.085 174.443 176.519 0.014 0.000 0.965 214 W CA -1.940 55.404 57.345 -0.002 0.000 2.045 214 W CB -0.409 29.048 29.460 -0.006 0.000 1.176 214 W HN 0.122 nan 8.180 nan 0.000 0.634 215 P HA -0.209 nan 4.420 nan 0.000 0.263 215 P C 0.799 178.153 177.300 0.090 0.000 1.145 215 P CA 1.702 64.876 63.100 0.124 0.000 0.755 215 P CB 0.607 32.355 31.700 0.080 0.000 0.746 216 E N 0.452 120.702 120.200 0.082 0.000 4.931 216 E HA -0.362 3.987 4.350 -0.001 0.000 0.176 216 E C 1.126 177.749 176.600 0.038 0.000 1.336 216 E CA 2.039 58.468 56.400 0.049 0.000 2.234 216 E CB -1.875 27.838 29.700 0.021 0.000 1.887 216 E HN 0.661 nan 8.360 nan 0.000 0.354 217 D N 1.012 121.421 120.400 0.016 0.000 1.578 217 D HA -0.182 4.457 4.640 -0.001 0.000 0.352 217 D C 0.979 177.259 176.300 -0.033 0.000 1.573 217 D CA 1.950 55.929 54.000 -0.035 0.000 1.287 217 D CB -0.096 40.638 40.800 -0.110 0.000 2.473 217 D HN 0.048 nan 8.370 nan 0.000 0.758 218 K N 0.162 120.538 120.400 -0.040 0.000 3.277 218 K HA 0.149 4.468 4.320 -0.001 0.000 0.280 218 K C 0.816 177.567 176.600 0.251 0.000 1.182 218 K CA 0.286 56.540 56.287 -0.055 0.000 1.219 218 K CB -0.285 32.175 32.500 -0.067 0.000 1.373 218 K HN 0.205 nan 8.250 nan 0.000 0.392 219 R N -0.779 119.871 120.500 0.251 0.000 2.369 219 R HA 0.165 4.505 4.340 -0.001 0.000 0.210 219 R C 0.329 176.813 176.300 0.306 0.000 0.881 219 R CA -0.183 56.163 56.100 0.411 0.000 1.031 219 R CB 0.634 31.123 30.300 0.314 0.000 1.184 219 R HN -0.020 nan 8.270 nan 0.000 0.581 220 R N 1.116 121.674 120.500 0.096 0.000 2.229 220 R HA 0.217 4.556 4.340 -0.001 0.000 0.332 220 R C -1.415 174.849 176.300 -0.060 0.000 0.989 220 R CA -0.229 55.845 56.100 -0.043 0.000 0.842 220 R CB 0.540 30.797 30.300 -0.072 0.000 1.119 220 R HN -0.155 nan 8.270 nan 0.000 0.456 221 Y N 3.558 123.715 120.300 -0.238 0.000 2.457 221 Y HA 0.322 4.871 4.550 -0.001 0.000 0.333 221 Y C -0.013 175.792 175.900 -0.159 0.000 1.119 221 Y CA -1.059 56.865 58.100 -0.294 0.000 1.143 221 Y CB 1.055 39.523 38.460 0.013 0.000 1.230 221 Y HN 0.384 nan 8.280 nan 0.000 0.469 222 F N 1.040 121.201 119.950 0.352 0.000 2.427 222 F HA 0.503 5.029 4.527 -0.001 0.000 0.352 222 F C 0.223 176.221 175.800 0.329 0.000 1.100 222 F CA -1.410 56.739 58.000 0.248 0.000 1.191 222 F CB -0.503 38.579 39.000 0.137 0.000 1.128 222 F HN 0.236 nan 8.300 nan 0.000 0.533 283 S N 0.126 115.882 115.700 0.093 0.000 3.446 283 S HA 0.039 4.509 4.470 -0.001 0.000 0.855 283 S C -0.708 173.843 174.600 -0.081 0.000 1.192 283 S CA 0.486 58.713 58.200 0.046 0.000 0.926 283 S CB -0.912 62.321 63.200 0.055 0.000 0.618 283 S HN 1.755 nan 8.310 nan 0.000 0.281 284 V N 1.903 121.688 119.914 -0.216 0.000 3.147 284 V HA 0.943 5.063 4.120 -0.001 0.000 0.299 284 V C -0.135 175.611 176.094 -0.579 0.000 1.302 284 V CA -0.570 61.495 62.300 -0.392 0.000 1.015 284 V CB 1.484 32.989 31.823 -0.530 0.000 1.086 284 V HN 1.180 nan 8.190 nan 0.000 0.437 285 V N 2.502 122.101 119.914 -0.525 0.000 2.994 285 V HA 0.789 4.908 4.120 -0.001 0.000 0.318 285 V C -1.172 174.584 176.094 -0.562 0.000 1.085 285 V CA -0.794 61.230 62.300 -0.460 0.000 0.998 285 V CB 2.112 33.840 31.823 -0.158 0.000 1.063 285 V HN 0.814 nan 8.190 nan 0.000 0.447 286 F N 2.585 122.552 119.950 0.028 0.000 2.539 286 F HA 0.629 5.156 4.527 -0.001 0.000 0.318 286 F C 0.905 176.734 175.800 0.050 0.000 1.135 286 F CA -0.475 57.535 58.000 0.016 0.000 0.915 286 F CB 1.944 40.952 39.000 0.014 0.000 1.176 286 F HN 0.705 nan 8.300 nan 0.000 0.440 287 G N 0.884 109.816 108.800 0.219 0.000 2.418 287 G HA2 0.142 4.102 3.960 -0.001 0.000 0.276 287 G HA3 0.142 4.102 3.960 -0.001 0.000 0.276 287 G C 0.713 175.683 174.900 0.117 0.000 1.442 287 G CA -0.090 45.090 45.100 0.133 0.000 1.066 287 G HN 0.590 nan 8.290 nan 0.000 0.553 288 T N 0.058 114.654 114.554 0.071 0.000 3.044 288 T HA 0.154 4.503 4.350 -0.001 0.000 0.250 288 T C 1.538 176.248 174.700 0.017 0.000 1.081 288 T CA 0.594 62.721 62.100 0.044 0.000 1.040 288 T CB -0.184 68.702 68.868 0.029 0.000 0.962 288 T HN 0.711 nan 8.240 nan 0.000 0.506 289 S N 1.180 116.886 115.700 0.009 0.000 2.572 289 S HA 0.480 4.950 4.470 -0.001 0.000 0.279 289 S C 1.712 176.283 174.600 -0.049 0.000 1.341 289 S CA -0.155 58.034 58.200 -0.019 0.000 1.043 289 S CB 1.188 64.377 63.200 -0.019 0.000 0.887 289 S HN 0.262 nan 8.310 nan 0.000 0.516 290 A N 2.366 125.146 122.820 -0.068 0.000 1.877 290 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 290 A C 2.335 179.842 177.584 -0.129 0.000 1.186 290 A CA 1.374 53.348 52.037 -0.104 0.000 0.620 290 A CB -1.044 17.896 19.000 -0.100 0.000 0.822 290 A HN 0.855 nan 8.150 nan 0.000 0.443 291 Q N -0.548 119.188 119.800 -0.106 0.000 2.156 291 Q HA -0.276 4.064 4.340 -0.001 0.000 0.211 291 Q C 1.987 177.904 176.000 -0.138 0.000 0.995 291 Q CA 2.332 58.071 55.803 -0.108 0.000 0.877 291 Q CB -0.315 28.381 28.738 -0.071 0.000 0.920 291 Q HN 0.750 nan 8.270 nan 0.000 0.416 292 E N -0.386 119.740 120.200 -0.123 0.000 2.015 292 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 292 E C 1.921 178.343 176.600 -0.295 0.000 0.991 292 E CA 1.321 57.626 56.400 -0.158 0.000 0.802 292 E CB -0.338 29.341 29.700 -0.034 0.000 0.759 292 E HN 0.271 nan 8.360 nan 0.000 0.447 293 V N -0.966 118.810 119.914 -0.230 0.000 3.099 293 V HA -0.115 4.005 4.120 -0.001 0.000 0.269 293 V C 1.674 177.483 176.094 -0.475 0.000 1.150 293 V CA 1.485 63.595 62.300 -0.316 0.000 1.165 293 V CB -0.419 31.227 31.823 -0.295 0.000 0.756 293 V HN 0.103 nan 8.190 nan 0.000 0.527 294 V N -0.322 119.357 119.914 -0.391 0.000 3.650 294 V HA 0.128 4.247 4.120 -0.001 0.000 0.271 294 V C 2.375 178.247 176.094 -0.369 0.000 1.281 294 V CA 1.064 63.144 62.300 -0.366 0.000 1.120 294 V CB -0.213 31.455 31.823 -0.258 0.000 0.856 294 V HN 0.561 nan 8.190 nan 0.000 0.443 295 K N 0.155 120.267 120.400 -0.480 0.000 2.242 295 K HA 0.002 4.321 4.320 -0.001 0.000 0.200 295 K C 1.909 178.067 176.600 -0.736 0.000 1.050 295 K CA 0.611 56.590 56.287 -0.512 0.000 0.981 295 K CB 0.253 32.430 32.500 -0.539 0.000 0.795 295 K HN 0.436 nan 8.250 nan 0.000 0.477 296 E N 1.408 120.957 120.200 -1.085 0.000 2.274 296 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 296 E C 1.599 177.953 176.600 -0.411 0.000 0.996 296 E CA 0.630 56.480 56.400 -0.917 0.000 0.840 296 E CB 0.115 29.408 29.700 -0.679 0.000 0.772 296 E HN 0.244 nan 8.360 nan 0.000 0.491 297 I N -0.262 120.023 120.570 -0.474 0.000 3.035 297 I HA -0.003 4.166 4.170 -0.001 0.000 0.271 297 I C 2.142 178.113 176.117 -0.242 0.000 1.190 297 I CA 0.171 61.223 61.300 -0.413 0.000 1.472 297 I CB 0.057 37.722 38.000 -0.557 0.000 1.116 297 I HN -0.064 nan 8.210 nan 0.000 0.443 298 R N -0.206 120.171 120.500 -0.206 0.000 2.276 298 R HA 0.027 4.366 4.340 -0.001 0.000 0.196 298 R C 1.886 178.173 176.300 -0.021 0.000 0.961 298 R CA 0.625 56.656 56.100 -0.116 0.000 1.024 298 R CB 0.026 30.261 30.300 -0.108 0.000 0.940 298 R HN 0.240 nan 8.270 nan 0.000 0.480 299 F N 1.307 121.160 119.950 -0.161 0.000 2.220 299 F HA 0.077 4.604 4.527 -0.001 0.000 0.290 299 F C 2.043 177.824 175.800 -0.032 0.000 1.080 299 F CA 1.008 58.979 58.000 -0.049 0.000 1.318 299 F CB 0.096 39.123 39.000 0.045 0.000 1.063 299 F HN -0.281 nan 8.300 nan 0.000 0.498 300 R N 0.391 120.776 120.500 -0.192 0.000 2.075 300 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 300 R C 2.303 178.514 176.300 -0.149 0.000 1.126 300 R CA 1.921 57.888 56.100 -0.221 0.000 0.963 300 R CB -0.586 29.657 30.300 -0.096 0.000 0.858 300 R HN 0.355 nan 8.270 nan 0.000 0.435 301 I N 0.634 121.138 120.570 -0.111 0.000 2.286 301 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 301 I C 2.436 178.511 176.117 -0.070 0.000 1.115 301 I CA 1.049 62.309 61.300 -0.068 0.000 1.392 301 I CB -0.246 37.712 38.000 -0.071 0.000 1.065 301 I HN 0.138 nan 8.210 nan 0.000 0.418 302 E N 1.032 121.169 120.200 -0.105 0.000 2.049 302 E HA -0.257 4.092 4.350 -0.001 0.000 0.198 302 E C 2.176 178.710 176.600 -0.109 0.000 1.007 302 E CA 1.747 58.094 56.400 -0.089 0.000 0.809 302 E CB -0.058 29.592 29.700 -0.083 0.000 0.749 302 E HN 0.377 nan 8.360 nan 0.000 0.450 303 Q N 0.121 119.793 119.800 -0.214 0.000 1.965 303 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 303 Q C 2.190 178.161 176.000 -0.049 0.000 0.981 303 Q CA 1.629 57.342 55.803 -0.150 0.000 0.834 303 Q CB -0.799 27.801 28.738 -0.229 0.000 0.900 303 Q HN 0.132 nan 8.270 nan 0.000 0.426 304 K N 0.600 120.980 120.400 -0.032 0.000 2.589 304 K HA -0.094 4.226 4.320 -0.001 0.000 0.195 304 K C 1.127 177.740 176.600 0.022 0.000 1.040 304 K CA 1.485 57.783 56.287 0.018 0.000 0.950 304 K CB -0.204 32.319 32.500 0.039 0.000 0.781 304 K HN 0.237 nan 8.250 nan 0.000 0.486 305 T N -2.969 111.591 114.554 0.010 0.000 3.207 305 T HA 0.066 4.416 4.350 -0.001 0.000 0.277 305 T C 0.250 174.962 174.700 0.020 0.000 0.865 305 T CA 0.629 62.744 62.100 0.025 0.000 0.857 305 T CB 0.180 69.076 68.868 0.047 0.000 1.240 305 T HN 0.296 nan 8.240 nan 0.000 0.618 306 T N 1.271 115.830 114.554 0.009 0.000 11.675 306 T HA -0.194 4.156 4.350 -0.001 0.000 0.407 306 T C 0.262 174.977 174.700 0.025 0.000 1.535 306 T CA 1.588 63.697 62.100 0.015 0.000 2.503 306 T CB -1.635 67.246 68.868 0.020 0.000 2.785 306 T HN 0.485 nan 8.240 nan 0.000 0.895 307 L N 2.909 124.153 121.223 0.035 0.000 2.461 307 L HA 0.400 4.739 4.340 -0.001 0.000 0.272 307 L C 1.533 178.433 176.870 0.050 0.000 1.197 307 L CA -0.008 54.864 54.840 0.053 0.000 0.836 307 L CB 0.491 42.596 42.059 0.078 0.000 1.105 307 L HN 0.493 nan 8.230 nan 0.000 0.477 308 T N -0.251 114.339 114.554 0.059 0.000 2.824 308 T HA 0.741 5.090 4.350 -0.001 0.000 0.277 308 T C -0.071 174.646 174.700 0.028 0.000 0.975 308 T CA -0.402 61.722 62.100 0.041 0.000 0.966 308 T CB 1.908 70.805 68.868 0.049 0.000 1.054 308 T HN 0.739 nan 8.240 nan 0.000 0.533 309 A N -0.133 122.683 122.820 -0.007 0.000 2.525 309 A HA 0.893 5.213 4.320 -0.001 0.000 0.291 309 A C -0.398 177.158 177.584 -0.048 0.000 1.268 309 A CA -0.846 51.161 52.037 -0.050 0.000 0.712 309 A CB 1.382 20.324 19.000 -0.095 0.000 1.320 309 A HN 1.131 nan 8.150 nan 0.000 0.456 310 S N -2.028 113.623 115.700 -0.081 0.000 2.560 310 S HA 0.668 5.137 4.470 -0.001 0.000 0.283 310 S C -1.276 173.276 174.600 -0.080 0.000 1.141 310 S CA 0.303 58.469 58.200 -0.056 0.000 0.902 310 S CB 1.218 64.407 63.200 -0.019 0.000 1.104 310 S HN 2.326 nan 8.310 nan 0.000 0.454 311 A N 2.321 125.103 122.820 -0.062 0.000 2.594 311 A HA 0.935 5.255 4.320 -0.001 0.000 0.295 311 A C -0.167 177.402 177.584 -0.025 0.000 1.071 311 A CA -0.237 51.762 52.037 -0.063 0.000 0.685 311 A CB 1.372 20.292 19.000 -0.135 0.000 1.285 311 A HN 1.241 nan 8.150 nan 0.000 0.405 312 G N -0.269 108.531 108.800 -0.001 0.000 2.473 312 G HA2 0.660 4.620 3.960 -0.001 0.000 0.321 312 G HA3 0.660 4.620 3.960 -0.001 0.000 0.321 312 G C -1.024 173.830 174.900 -0.076 0.000 1.200 312 G CA -0.634 44.446 45.100 -0.034 0.000 0.963 312 G HN 0.717 nan 8.290 nan 0.000 0.483 313 I N 0.805 121.283 120.570 -0.155 0.000 2.478 313 I HA 0.649 4.819 4.170 -0.001 0.000 0.287 313 I C 0.068 176.060 176.117 -0.208 0.000 1.042 313 I CA -0.651 60.556 61.300 -0.156 0.000 1.067 313 I CB 1.944 39.845 38.000 -0.166 0.000 1.233 313 I HN 0.691 nan 8.210 nan 0.000 0.431 314 A N 6.604 129.333 122.820 -0.152 0.000 2.602 314 A HA 0.757 5.077 4.320 -0.001 0.000 0.290 314 A C -2.590 174.929 177.584 -0.108 0.000 1.114 314 A CA -1.256 50.681 52.037 -0.166 0.000 0.683 314 A CB 1.431 20.325 19.000 -0.177 0.000 1.281 314 A HN 0.451 nan 8.150 nan 0.000 0.416 315 P HA -0.015 nan 4.420 nan 0.000 0.231 315 P C -0.254 177.011 177.300 -0.058 0.000 1.158 315 P CA 1.206 64.264 63.100 -0.070 0.000 0.763 315 P CB -0.011 31.651 31.700 -0.064 0.000 0.805 316 N N -3.853 114.807 118.700 -0.066 0.000 2.825 316 N HA 0.051 4.790 4.740 -0.001 0.000 0.253 316 N C 0.700 176.152 175.510 -0.096 0.000 1.426 316 N CA -0.277 52.728 53.050 -0.075 0.000 0.851 316 N CB 0.776 39.223 38.487 -0.066 0.000 1.470 316 N HN -0.237 nan 8.380 nan 0.000 0.517 317 T N -1.665 112.783 114.554 -0.177 0.000 2.607 317 T HA -0.296 4.053 4.350 -0.001 0.000 0.267 317 T C 1.880 176.492 174.700 -0.146 0.000 1.049 317 T CA 1.865 63.766 62.100 -0.331 0.000 1.162 317 T CB -0.366 68.157 68.868 -0.575 0.000 0.863 317 T HN 0.593 nan 8.240 nan 0.000 0.424 318 M N 0.817 120.360 119.600 -0.095 0.000 2.115 318 M HA -0.071 4.409 4.480 -0.001 0.000 0.258 318 M C 2.480 178.789 176.300 0.016 0.000 1.071 318 M CA 1.948 57.241 55.300 -0.012 0.000 1.100 318 M CB -0.533 32.074 32.600 0.012 0.000 1.292 318 M HN 0.364 nan 8.290 nan 0.000 0.415 319 L N 0.356 121.587 121.223 0.014 0.000 1.990 319 L HA -0.253 4.086 4.340 -0.001 0.000 0.213 319 L C 2.834 179.699 176.870 -0.010 0.000 1.072 319 L CA 1.608 56.471 54.840 0.038 0.000 0.755 319 L CB -1.113 40.939 42.059 -0.012 0.000 0.889 319 L HN 0.525 nan 8.230 nan 0.000 0.432 320 A N 0.193 122.995 122.820 -0.030 0.000 1.869 320 A HA -0.340 3.979 4.320 -0.001 0.000 0.218 320 A C 2.338 179.915 177.584 -0.012 0.000 1.203 320 A CA 2.451 54.482 52.037 -0.009 0.000 0.638 320 A CB -0.721 18.328 19.000 0.081 0.000 0.831 320 A HN 0.386 nan 8.150 nan 0.000 0.450 321 K N -0.615 119.747 120.400 -0.063 0.000 2.218 321 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 321 K C 1.583 178.074 176.600 -0.182 0.000 1.046 321 K CA 1.631 57.672 56.287 -0.411 0.000 0.933 321 K CB -0.220 32.068 32.500 -0.352 0.000 0.728 321 K HN 0.315 nan 8.250 nan 0.000 0.454 322 V N -0.026 119.882 119.914 -0.010 0.000 2.649 322 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 322 V C 2.307 178.506 176.094 0.175 0.000 1.054 322 V CA 1.194 63.556 62.300 0.104 0.000 1.073 322 V CB -0.190 31.762 31.823 0.216 0.000 0.699 322 V HN 0.476 nan 8.190 nan 0.000 0.463 323 C N 0.831 120.194 119.300 0.105 0.000 2.462 323 C HA -0.123 4.337 4.460 -0.001 0.000 0.278 323 C C 3.254 178.318 174.990 0.123 0.000 1.253 323 C CA 1.026 60.107 59.018 0.104 0.000 1.713 323 C CB -1.097 26.555 27.740 -0.147 0.000 2.049 323 C HN 0.747 nan 8.230 nan 0.000 0.477 324 S N 2.752 118.497 115.700 0.076 0.000 2.401 324 S HA -0.326 4.143 4.470 -0.001 0.000 0.236 324 S C 0.913 175.562 174.600 0.081 0.000 1.058 324 S CA 2.589 60.845 58.200 0.094 0.000 1.151 324 S CB -1.127 62.203 63.200 0.217 0.000 1.049 324 S HN 0.616 nan 8.310 nan 0.000 0.432 325 D N 1.307 121.753 120.400 0.076 0.000 2.379 325 D HA 0.165 4.804 4.640 -0.001 0.000 0.243 325 D C 1.477 177.816 176.300 0.066 0.000 1.088 325 D CA 0.630 54.666 54.000 0.060 0.000 0.925 325 D CB -0.104 40.722 40.800 0.043 0.000 0.888 325 D HN 0.672 nan 8.370 nan 0.000 0.529 326 K N 0.568 121.024 120.400 0.092 0.000 1.995 326 K HA 0.046 4.366 4.320 -0.001 0.000 0.207 326 K C 0.502 177.104 176.600 0.002 0.000 1.041 326 K CA 0.798 57.130 56.287 0.075 0.000 0.942 326 K CB 0.316 32.898 32.500 0.136 0.000 0.731 326 K HN -0.066 nan 8.250 nan 0.000 0.439 327 N N 1.667 120.363 118.700 -0.007 0.000 2.994 327 N HA -0.008 4.732 4.740 -0.001 0.000 0.306 327 N C 0.078 175.581 175.510 -0.011 0.000 1.348 327 N CA -0.008 53.021 53.050 -0.036 0.000 1.109 327 N CB 1.140 39.597 38.487 -0.051 0.000 1.415 327 N HN 0.145 nan 8.380 nan 0.000 0.529 328 K N 1.921 122.326 120.400 0.009 0.000 2.030 328 K HA -0.137 4.182 4.320 -0.001 0.000 0.222 328 K C -1.623 175.005 176.600 0.046 0.000 1.056 328 K CA 1.559 57.869 56.287 0.039 0.000 0.957 328 K CB -1.206 31.335 32.500 0.067 0.000 0.727 328 K HN 0.216 nan 8.250 nan 0.000 0.452 329 P HA 0.048 nan 4.420 nan 0.000 0.264 329 P C -1.293 175.968 177.300 -0.065 0.000 1.537 329 P CA 0.228 63.276 63.100 -0.086 0.000 1.189 329 P CB -0.171 31.338 31.700 -0.319 0.000 1.687 330 N N 2.659 121.353 118.700 -0.009 0.000 2.537 330 N HA -0.151 4.588 4.740 -0.001 0.000 0.286 330 N C -0.643 174.850 175.510 -0.027 0.000 1.245 330 N CA 1.391 54.432 53.050 -0.015 0.000 0.704 330 N CB -1.013 37.463 38.487 -0.019 0.000 0.910 330 N HN 0.556 nan 8.380 nan 0.000 0.542 331 G N 1.378 110.163 108.800 -0.024 0.000 2.579 331 G HA2 0.519 4.479 3.960 -0.001 0.000 0.292 331 G HA3 0.519 4.479 3.960 -0.001 0.000 0.292 331 G C -1.622 173.268 174.900 -0.018 0.000 1.484 331 G CA -0.514 44.570 45.100 -0.026 0.000 0.813 331 G HN 0.558 nan 8.290 nan 0.000 0.515 332 Q N -0.541 119.252 119.800 -0.011 0.000 2.397 332 Q HA 0.757 5.096 4.340 -0.001 0.000 0.275 332 Q C -2.062 173.989 176.000 0.085 0.000 1.090 332 Q CA -1.191 54.615 55.803 0.005 0.000 0.809 332 Q CB 3.118 31.827 28.738 -0.048 0.000 1.362 332 Q HN 0.584 nan 8.270 nan 0.000 0.431 333 Y N 0.645 120.890 120.300 -0.092 0.000 2.492 333 Y HA 0.401 4.951 4.550 -0.001 0.000 0.346 333 Y C -1.327 174.483 175.900 -0.151 0.000 0.997 333 Y CA -0.872 57.162 58.100 -0.111 0.000 1.025 333 Y CB 2.429 40.826 38.460 -0.105 0.000 1.263 333 Y HN 0.917 nan 8.280 nan 0.000 0.454 334 Q N 4.261 123.815 119.800 -0.410 0.000 2.418 334 Q HA 0.728 5.068 4.340 -0.001 0.000 0.276 334 Q C -1.695 173.809 176.000 -0.827 0.000 1.081 334 Q CA -0.993 54.505 55.803 -0.509 0.000 0.864 334 Q CB 1.956 30.542 28.738 -0.255 0.000 1.384 334 Q HN 0.812 nan 8.270 nan 0.000 0.467 335 I N 3.322 123.563 120.570 -0.550 0.000 2.560 335 I HA 0.200 4.370 4.170 -0.001 0.000 0.278 335 I C -0.515 175.443 176.117 -0.265 0.000 1.089 335 I CA -0.429 60.582 61.300 -0.482 0.000 1.086 335 I CB 1.276 38.954 38.000 -0.537 0.000 1.202 335 I HN 0.571 nan 8.210 nan 0.000 0.471 336 L N 6.486 127.595 121.223 -0.190 0.000 2.554 336 L HA -0.008 4.331 4.340 -0.001 0.000 0.293 336 L C -1.370 175.438 176.870 -0.103 0.000 1.252 336 L CA -0.867 53.900 54.840 -0.122 0.000 0.862 336 L CB -0.120 41.889 42.059 -0.083 0.000 1.113 336 L HN 0.326 nan 8.230 nan 0.000 0.510 337 P HA -0.057 nan 4.420 nan 0.000 0.261 337 P C -0.564 176.706 177.300 -0.050 0.000 1.297 337 P CA 0.495 63.556 63.100 -0.065 0.000 0.757 337 P CB -0.278 31.389 31.700 -0.055 0.000 1.149 338 N N -1.008 117.664 118.700 -0.048 0.000 2.492 338 N HA 0.137 4.877 4.740 -0.001 0.000 0.289 338 N C 0.951 176.440 175.510 -0.036 0.000 1.133 338 N CA -0.682 52.346 53.050 -0.036 0.000 0.961 338 N CB 1.659 40.128 38.487 -0.030 0.000 1.186 338 N HN -0.157 nan 8.380 nan 0.000 0.493 339 R N 0.326 120.807 120.500 -0.032 0.000 2.132 339 R HA -0.231 4.108 4.340 -0.001 0.000 0.233 339 R C 1.597 177.879 176.300 -0.031 0.000 1.125 339 R CA 1.783 57.862 56.100 -0.035 0.000 0.914 339 R CB -0.296 29.983 30.300 -0.036 0.000 0.845 339 R HN 0.592 nan 8.270 nan 0.000 0.431 340 Q N -0.088 119.696 119.800 -0.026 0.000 2.165 340 Q HA -0.275 4.065 4.340 -0.001 0.000 0.215 340 Q C 2.017 178.013 176.000 -0.007 0.000 1.010 340 Q CA 2.434 58.226 55.803 -0.019 0.000 0.896 340 Q CB -0.665 28.064 28.738 -0.014 0.000 0.956 340 Q HN 0.568 nan 8.270 nan 0.000 0.413 341 A N -0.310 122.503 122.820 -0.010 0.000 1.908 341 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 341 A C 2.439 180.037 177.584 0.024 0.000 1.181 341 A CA 1.846 53.881 52.037 -0.002 0.000 0.627 341 A CB -0.755 18.222 19.000 -0.038 0.000 0.818 341 A HN 0.245 nan 8.150 nan 0.000 0.445 342 V N -0.096 119.820 119.914 0.004 0.000 2.233 342 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 342 V C 2.668 178.802 176.094 0.067 0.000 1.050 342 V CA 2.142 64.465 62.300 0.038 0.000 1.010 342 V CB -0.706 31.115 31.823 -0.003 0.000 0.637 342 V HN 0.512 nan 8.190 nan 0.000 0.444 343 M N -0.234 119.370 119.600 0.006 0.000 2.144 343 M HA -0.192 4.288 4.480 -0.001 0.000 0.260 343 M C 1.890 178.190 176.300 0.001 0.000 1.067 343 M CA 1.617 56.903 55.300 -0.024 0.000 1.095 343 M CB -1.396 31.171 32.600 -0.056 0.000 1.365 343 M HN 0.427 nan 8.290 nan 0.000 0.406 344 D N -1.185 119.238 120.400 0.039 0.000 2.234 344 D HA -0.092 4.547 4.640 -0.001 0.000 0.205 344 D C 1.747 178.103 176.300 0.094 0.000 0.962 344 D CA 0.753 54.784 54.000 0.052 0.000 0.855 344 D CB -0.181 40.656 40.800 0.061 0.000 0.951 344 D HN 0.322 nan 8.370 nan 0.000 0.500 345 F N 0.945 120.890 119.950 -0.008 0.000 2.456 345 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 345 F C 1.872 177.672 175.800 -0.000 0.000 1.104 345 F CA 0.337 58.346 58.000 0.015 0.000 1.435 345 F CB 0.113 39.112 39.000 -0.000 0.000 1.078 345 F HN -0.219 nan 8.300 nan 0.000 0.546 346 I N 0.308 120.813 120.570 -0.108 0.000 2.400 346 I HA -0.114 4.055 4.170 -0.001 0.000 0.248 346 I C 2.189 178.201 176.117 -0.176 0.000 1.109 346 I CA 0.803 61.991 61.300 -0.186 0.000 1.425 346 I CB -0.762 37.191 38.000 -0.079 0.000 1.094 346 I HN -0.048 nan 8.210 nan 0.000 0.425 347 K N 0.521 120.854 120.400 -0.112 0.000 1.975 347 K HA -0.292 4.028 4.320 -0.001 0.000 0.233 347 K C 0.883 177.425 176.600 -0.097 0.000 0.991 347 K CA 2.400 58.636 56.287 -0.085 0.000 1.022 347 K CB -0.400 32.067 32.500 -0.055 0.000 0.723 347 K HN 0.298 nan 8.250 nan 0.000 0.473 348 D N 0.601 120.934 120.400 -0.110 0.000 2.336 348 D HA 0.043 4.683 4.640 -0.001 0.000 0.228 348 D C 0.053 176.269 176.300 -0.141 0.000 1.120 348 D CA 0.060 53.998 54.000 -0.103 0.000 0.839 348 D CB -0.139 40.614 40.800 -0.077 0.000 0.932 348 D HN 0.174 nan 8.370 nan 0.000 0.509 349 L N 2.251 123.352 121.223 -0.203 0.000 2.500 349 L HA 0.159 4.499 4.340 -0.001 0.000 0.272 349 L C -2.352 174.425 176.870 -0.154 0.000 1.149 349 L CA -1.255 53.442 54.840 -0.238 0.000 0.897 349 L CB 0.712 42.557 42.059 -0.357 0.000 1.178 349 L HN -0.334 nan 8.230 nan 0.000 0.473 350 P HA 0.001 nan 4.420 nan 0.000 0.265 350 P C 1.010 178.260 177.300 -0.084 0.000 1.222 350 P CA 0.012 63.061 63.100 -0.086 0.000 0.767 350 P CB 0.548 32.209 31.700 -0.065 0.000 0.801 351 I N 1.958 122.475 120.570 -0.089 0.000 2.236 351 I HA -0.341 3.829 4.170 -0.001 0.000 0.249 351 I C 2.110 178.194 176.117 -0.054 0.000 1.102 351 I CA 1.532 62.778 61.300 -0.090 0.000 1.365 351 I CB -0.486 37.437 38.000 -0.128 0.000 1.051 351 I HN 0.141 nan 8.210 nan 0.000 0.420 352 R N 2.297 122.773 120.500 -0.040 0.000 2.159 352 R HA -0.156 4.183 4.340 -0.001 0.000 0.237 352 R C 1.913 178.212 176.300 -0.001 0.000 1.131 352 R CA 1.604 57.697 56.100 -0.012 0.000 0.982 352 R CB -0.705 29.590 30.300 -0.008 0.000 0.868 352 R HN 0.495 nan 8.270 nan 0.000 0.453 353 K N 0.304 120.695 120.400 -0.015 0.000 2.668 353 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 353 K C -0.554 176.051 176.600 0.007 0.000 1.016 353 K CA 0.261 56.544 56.287 -0.006 0.000 1.131 353 K CB -0.111 32.377 32.500 -0.020 0.000 0.891 353 K HN 0.162 nan 8.250 nan 0.000 0.499 354 V N -2.581 117.343 119.914 0.017 0.000 3.040 354 V HA 0.507 4.627 4.120 -0.001 0.000 0.312 354 V C -0.197 175.938 176.094 0.069 0.000 1.115 354 V CA -1.032 61.290 62.300 0.037 0.000 0.998 354 V CB 1.769 33.608 31.823 0.027 0.000 1.042 354 V HN 0.166 nan 8.190 nan 0.000 0.433 355 S N 1.692 117.443 115.700 0.085 0.000 2.589 355 S HA 0.571 5.040 4.470 -0.001 0.000 0.265 355 S C 1.413 176.125 174.600 0.187 0.000 1.342 355 S CA 0.376 58.640 58.200 0.106 0.000 1.005 355 S CB 0.538 63.795 63.200 0.094 0.000 0.909 355 S HN 2.818 nan 8.310 nan 0.000 0.555 356 G N 0.068 108.960 108.800 0.154 0.000 2.328 356 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.256 356 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.256 356 G C 0.031 175.081 174.900 0.249 0.000 1.014 356 G CA 0.391 45.604 45.100 0.188 0.000 0.620 356 G HN 0.690 nan 8.290 nan 0.000 0.530 357 I N 2.180 122.882 120.570 0.220 0.000 2.330 357 I HA 0.674 4.844 4.170 -0.001 0.000 0.289 357 I C 0.908 177.085 176.117 0.100 0.000 1.001 357 I CA -0.196 61.206 61.300 0.171 0.000 1.193 357 I CB 0.397 38.465 38.000 0.113 0.000 1.345 357 I HN 0.309 nan 8.210 nan 0.000 0.461 358 G N 5.175 114.029 108.800 0.091 0.000 3.086 358 G HA2 0.425 4.384 3.960 -0.001 0.000 0.282 358 G HA3 0.425 4.384 3.960 -0.001 0.000 0.282 358 G C 0.707 175.641 174.900 0.056 0.000 1.343 358 G CA -0.164 44.976 45.100 0.065 0.000 0.895 358 G HN 0.546 nan 8.290 nan 0.000 0.557 359 K N -1.155 119.275 120.400 0.050 0.000 2.067 359 K HA -0.298 4.022 4.320 -0.001 0.000 0.226 359 K C 1.929 178.558 176.600 0.047 0.000 1.046 359 K CA 2.827 59.140 56.287 0.045 0.000 0.967 359 K CB -1.160 31.367 32.500 0.046 0.000 0.749 359 K HN 0.166 nan 8.250 nan 0.000 0.456 360 V N 1.134 121.083 119.914 0.058 0.000 2.407 360 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 360 V C 2.417 178.563 176.094 0.087 0.000 1.041 360 V CA 2.184 64.525 62.300 0.068 0.000 1.040 360 V CB -0.638 31.230 31.823 0.075 0.000 0.671 360 V HN 0.554 nan 8.190 nan 0.000 0.455 361 T N -0.335 114.279 114.554 0.100 0.000 2.788 361 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 361 T C 1.862 176.586 174.700 0.041 0.000 1.044 361 T CA 1.800 63.966 62.100 0.109 0.000 1.139 361 T CB -0.162 68.793 68.868 0.145 0.000 0.867 361 T HN 0.639 nan 8.240 nan 0.000 0.454 362 E N 0.899 121.116 120.200 0.027 0.000 2.031 362 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 362 E C 2.333 178.936 176.600 0.006 0.000 0.994 362 E CA 0.988 57.386 56.400 -0.004 0.000 0.800 362 E CB -0.035 29.667 29.700 0.003 0.000 0.752 362 E HN 0.100 nan 8.360 nan 0.000 0.447 363 K N 0.490 120.906 120.400 0.026 0.000 2.020 363 K HA -0.170 4.149 4.320 -0.001 0.000 0.212 363 K C 2.214 178.839 176.600 0.042 0.000 1.050 363 K CA 1.727 58.032 56.287 0.029 0.000 0.929 363 K CB -0.407 32.114 32.500 0.035 0.000 0.714 363 K HN 0.291 nan 8.250 nan 0.000 0.443 364 M N 0.421 120.065 119.600 0.073 0.000 2.108 364 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 364 M C 2.265 178.630 176.300 0.109 0.000 1.066 364 M CA 1.466 56.836 55.300 0.116 0.000 1.107 364 M CB -0.360 32.367 32.600 0.212 0.000 1.356 364 M HN 0.090 nan 8.290 nan 0.000 0.406 365 L N -0.418 120.836 121.223 0.051 0.000 2.156 365 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 365 L C 2.533 179.396 176.870 -0.011 0.000 1.095 365 L CA 0.974 55.810 54.840 -0.007 0.000 0.770 365 L CB -0.764 41.202 42.059 -0.154 0.000 0.914 365 L HN 0.342 nan 8.230 nan 0.000 0.439 366 K N 1.215 121.608 120.400 -0.011 0.000 2.020 366 K HA -0.224 4.095 4.320 -0.001 0.000 0.212 366 K C 2.030 178.629 176.600 -0.001 0.000 1.050 366 K CA 1.704 57.984 56.287 -0.012 0.000 0.929 366 K CB -0.175 32.321 32.500 -0.007 0.000 0.714 366 K HN 0.251 nan 8.250 nan 0.000 0.443 367 A N 0.786 123.614 122.820 0.013 0.000 2.234 367 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 367 A C 1.799 179.392 177.584 0.015 0.000 1.167 367 A CA 1.035 53.080 52.037 0.014 0.000 0.698 367 A CB -0.332 18.681 19.000 0.022 0.000 0.779 367 A HN 0.429 nan 8.150 nan 0.000 0.475 368 L N -2.265 118.969 121.223 0.019 0.000 2.640 368 L HA 0.264 4.604 4.340 -0.001 0.000 0.230 368 L C 1.600 178.469 176.870 -0.002 0.000 1.123 368 L CA 0.633 55.485 54.840 0.019 0.000 0.900 368 L CB 0.261 42.350 42.059 0.050 0.000 1.146 368 L HN 0.557 nan 8.230 nan 0.000 0.484 369 G N 0.701 109.494 108.800 -0.010 0.000 2.195 369 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.246 369 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.246 369 G C 0.315 175.195 174.900 -0.033 0.000 0.984 369 G CA -0.076 45.012 45.100 -0.020 0.000 0.633 369 G HN 0.257 nan 8.290 nan 0.000 0.525 370 I N 1.416 121.959 120.570 -0.044 0.000 2.396 370 I HA 0.339 4.508 4.170 -0.001 0.000 0.289 370 I C 1.217 177.290 176.117 -0.075 0.000 1.056 370 I CA -0.492 60.764 61.300 -0.072 0.000 1.365 370 I CB 0.774 38.705 38.000 -0.115 0.000 1.407 370 I HN -0.045 nan 8.210 nan 0.000 0.509 371 I N 3.262 123.790 120.570 -0.070 0.000 4.578 371 I HA 0.050 4.220 4.170 -0.001 0.000 0.312 371 I C 0.930 177.002 176.117 -0.076 0.000 1.224 371 I CA 0.840 62.101 61.300 -0.065 0.000 1.318 371 I CB 0.720 38.691 38.000 -0.048 0.000 1.388 371 I HN 0.608 nan 8.210 nan 0.000 0.461 372 T N -2.698 111.811 114.554 -0.075 0.000 2.908 372 T HA 0.263 4.612 4.350 -0.001 0.000 0.290 372 T C 1.255 175.906 174.700 -0.082 0.000 1.034 372 T CA -0.471 61.580 62.100 -0.082 0.000 1.010 372 T CB 2.039 70.862 68.868 -0.074 0.000 1.068 372 T HN 0.143 nan 8.240 nan 0.000 0.481 373 C N 1.556 120.801 119.300 -0.092 0.000 2.398 373 C HA -0.118 4.341 4.460 -0.001 0.000 0.279 373 C C 2.871 177.844 174.990 -0.028 0.000 1.250 373 C CA 1.547 60.519 59.018 -0.077 0.000 1.786 373 C CB -1.764 25.919 27.740 -0.095 0.000 2.018 373 C HN 1.047 nan 8.230 nan 0.000 0.494 374 T N 0.623 115.161 114.554 -0.025 0.000 2.701 374 T HA -0.144 4.205 4.350 -0.001 0.000 0.263 374 T C 1.609 176.334 174.700 0.042 0.000 1.040 374 T CA 1.421 63.535 62.100 0.025 0.000 1.147 374 T CB -0.307 68.562 68.868 0.001 0.000 0.865 374 T HN 0.664 nan 8.240 nan 0.000 0.426 375 E N 0.627 120.823 120.200 -0.007 0.000 2.267 375 E HA -0.116 4.234 4.350 -0.001 0.000 0.197 375 E C 1.912 178.490 176.600 -0.036 0.000 0.998 375 E CA 0.628 57.014 56.400 -0.024 0.000 0.830 375 E CB -0.179 29.496 29.700 -0.043 0.000 0.751 375 E HN 0.224 nan 8.360 nan 0.000 0.491 376 L N -0.338 120.863 121.223 -0.037 0.000 2.341 376 L HA -0.057 4.282 4.340 -0.001 0.000 0.214 376 L C 1.878 178.760 176.870 0.020 0.000 1.115 376 L CA 1.117 55.919 54.840 -0.064 0.000 0.820 376 L CB -0.105 41.884 42.059 -0.116 0.000 0.944 376 L HN 0.081 nan 8.230 nan 0.000 0.452 377 Y N 0.253 120.513 120.300 -0.066 0.000 2.347 377 Y HA -0.096 4.454 4.550 -0.001 0.000 0.294 377 Y C 2.356 178.232 175.900 -0.039 0.000 1.117 377 Y CA 1.530 59.601 58.100 -0.047 0.000 1.184 377 Y CB -0.170 38.261 38.460 -0.048 0.000 1.047 377 Y HN 0.496 nan 8.280 nan 0.000 0.546 378 Q N -0.808 118.922 119.800 -0.117 0.000 2.436 378 Q HA -0.088 4.251 4.340 -0.001 0.000 0.209 378 Q C 1.174 177.071 176.000 -0.172 0.000 0.965 378 Q CA 0.988 56.670 55.803 -0.201 0.000 0.910 378 Q CB -0.171 28.523 28.738 -0.073 0.000 0.980 378 Q HN 0.418 nan 8.270 nan 0.000 0.491 379 Q N 1.045 120.772 119.800 -0.122 0.000 2.280 379 Q HA 0.068 4.407 4.340 -0.001 0.000 0.201 379 Q C 1.558 177.508 176.000 -0.083 0.000 0.890 379 Q CA 0.130 55.882 55.803 -0.086 0.000 0.947 379 Q CB 0.430 29.136 28.738 -0.054 0.000 1.081 379 Q HN 0.579 nan 8.270 nan 0.000 0.502 380 R N -0.047 120.371 120.500 -0.136 0.000 2.133 380 R HA -0.168 4.171 4.340 -0.001 0.000 0.247 380 R C 1.906 178.128 176.300 -0.130 0.000 1.151 380 R CA 1.593 57.634 56.100 -0.099 0.000 0.971 380 R CB -0.662 29.532 30.300 -0.176 0.000 0.866 380 R HN 0.077 nan 8.270 nan 0.000 0.447 381 A N 2.209 124.933 122.820 -0.160 0.000 1.835 381 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 381 A C 2.314 179.811 177.584 -0.145 0.000 1.199 381 A CA 1.271 53.203 52.037 -0.174 0.000 0.615 381 A CB -0.722 18.193 19.000 -0.142 0.000 0.838 381 A HN 0.340 nan 8.150 nan 0.000 0.444 382 L N -0.261 120.914 121.223 -0.080 0.000 1.990 382 L HA -0.233 4.106 4.340 -0.001 0.000 0.213 382 L C 2.611 179.492 176.870 0.020 0.000 1.072 382 L CA 1.973 56.792 54.840 -0.036 0.000 0.755 382 L CB -0.522 41.534 42.059 -0.005 0.000 0.889 382 L HN 0.471 nan 8.230 nan 0.000 0.432 383 L N -0.723 120.565 121.223 0.108 0.000 2.089 383 L HA -0.305 4.034 4.340 -0.001 0.000 0.213 383 L C 2.793 179.793 176.870 0.216 0.000 1.079 383 L CA 1.559 56.610 54.840 0.352 0.000 0.758 383 L CB -0.718 41.576 42.059 0.392 0.000 0.891 383 L HN 0.365 nan 8.230 nan 0.000 0.433 384 S N 0.178 115.756 115.700 -0.203 0.000 2.400 384 S HA -0.132 4.337 4.470 -0.001 0.000 0.232 384 S C 1.682 176.016 174.600 -0.443 0.000 1.025 384 S CA 1.200 58.904 58.200 -0.827 0.000 0.993 384 S CB -0.111 62.553 63.200 -0.893 0.000 0.808 384 S HN 0.448 nan 8.310 nan 0.000 0.478 385 L N 0.278 121.392 121.223 -0.182 0.000 2.640 385 L HA 0.360 4.700 4.340 -0.001 0.000 0.230 385 L C 1.366 178.209 176.870 -0.046 0.000 1.123 385 L CA 0.046 54.830 54.840 -0.093 0.000 0.900 385 L CB 0.048 42.054 42.059 -0.089 0.000 1.146 385 L HN 0.278 nan 8.230 nan 0.000 0.484 386 L N -1.488 119.729 121.223 -0.010 0.000 2.672 386 L HA 0.298 4.637 4.340 -0.001 0.000 0.236 386 L C -0.167 176.472 176.870 -0.385 0.000 1.092 386 L CA 0.136 54.870 54.840 -0.176 0.000 0.887 386 L CB 0.602 42.531 42.059 -0.217 0.000 1.168 386 L HN 0.032 nan 8.230 nan 0.000 0.502 387 F N -0.439 119.641 119.950 0.217 0.000 2.577 387 F HA 0.329 4.855 4.527 -0.001 0.000 0.318 387 F C 0.872 176.843 175.800 0.285 0.000 1.065 387 F CA -1.166 56.986 58.000 0.253 0.000 0.929 387 F CB 1.531 40.727 39.000 0.326 0.000 1.237 387 F HN -0.190 nan 8.300 nan 0.000 0.468 388 S N -0.030 115.880 115.700 0.350 0.000 2.550 388 S HA -0.106 4.364 4.470 -0.001 0.000 0.285 388 S C 1.097 175.826 174.600 0.216 0.000 1.326 388 S CA 0.029 58.356 58.200 0.213 0.000 1.037 388 S CB 0.465 63.726 63.200 0.102 0.000 0.838 388 S HN 0.909 nan 8.310 nan 0.000 0.519 389 E N 1.594 121.873 120.200 0.131 0.000 2.393 389 E HA -0.177 4.173 4.350 -0.001 0.000 0.201 389 E C 1.080 177.441 176.600 -0.399 0.000 1.025 389 E CA 1.580 57.943 56.400 -0.062 0.000 0.856 389 E CB -0.345 29.327 29.700 -0.047 0.000 0.771 389 E HN 0.850 nan 8.360 nan 0.000 0.526 390 T N -0.780 113.643 114.554 -0.220 0.000 2.815 390 T HA -0.049 4.301 4.350 -0.001 0.000 0.244 390 T C 1.941 176.511 174.700 -0.217 0.000 1.040 390 T CA 0.785 62.748 62.100 -0.230 0.000 1.176 390 T CB -0.384 68.386 68.868 -0.163 0.000 0.880 390 T HN 0.079 nan 8.240 nan 0.000 0.414 391 S N 1.731 117.312 115.700 -0.199 0.000 2.393 391 S HA -0.200 4.269 4.470 -0.001 0.000 0.235 391 S C 1.914 176.055 174.600 -0.765 0.000 1.061 391 S CA 2.012 59.918 58.200 -0.490 0.000 1.129 391 S CB -0.839 62.168 63.200 -0.322 0.000 1.011 391 S HN 0.780 nan 8.310 nan 0.000 0.436 392 W N 1.584 122.710 121.300 -0.291 0.000 2.374 392 W HA -0.137 4.523 4.660 -0.001 0.000 0.288 392 W C 1.806 178.346 176.519 0.035 0.000 1.218 392 W CA 1.273 58.594 57.345 -0.039 0.000 1.245 392 W CB -1.023 28.563 29.460 0.210 0.000 1.126 392 W HN 0.406 nan 8.180 nan 0.000 0.545 393 H N -0.405 118.258 119.070 -0.678 0.000 2.353 393 H HA -0.191 4.364 4.556 -0.001 0.000 0.300 393 H C 2.083 177.300 175.328 -0.185 0.000 1.090 393 H CA 2.943 58.625 56.048 -0.610 0.000 1.327 393 H CB -0.897 28.508 29.762 -0.595 0.000 1.383 393 H HN 0.178 nan 8.280 nan 0.000 0.508 394 Y N 0.367 120.592 120.300 -0.125 0.000 2.089 394 Y HA -0.267 4.282 4.550 -0.001 0.000 0.282 394 Y C 1.904 177.850 175.900 0.076 0.000 1.139 394 Y CA 1.720 59.812 58.100 -0.013 0.000 1.123 394 Y CB -1.109 37.247 38.460 -0.174 0.000 0.980 394 Y HN 0.216 nan 8.280 nan 0.000 0.493 395 F N -0.497 119.397 119.950 -0.094 0.000 2.087 395 F HA -0.332 4.194 4.527 -0.001 0.000 0.299 395 F C 2.377 178.101 175.800 -0.127 0.000 1.100 395 F CA 0.916 58.791 58.000 -0.209 0.000 1.226 395 F CB -0.789 38.166 39.000 -0.076 0.000 0.983 395 F HN 0.226 nan 8.300 nan 0.000 0.479 396 L N 0.150 121.466 121.223 0.155 0.000 2.187 396 L HA -0.234 4.106 4.340 -0.001 0.000 0.213 396 L C 1.952 178.759 176.870 -0.105 0.000 1.100 396 L CA 1.913 56.771 54.840 0.031 0.000 0.765 396 L CB -0.985 41.071 42.059 -0.006 0.000 0.904 396 L HN 0.132 nan 8.230 nan 0.000 0.437 397 H N -1.233 117.835 119.070 -0.004 0.000 2.317 397 H HA 0.011 4.566 4.556 -0.001 0.000 0.304 397 H C 2.258 177.548 175.328 -0.063 0.000 1.067 397 H CA 1.626 57.652 56.048 -0.036 0.000 1.352 397 H CB -0.010 29.758 29.762 0.009 0.000 1.398 397 H HN 0.267 nan 8.280 nan 0.000 0.510 398 I N 0.763 121.333 120.570 0.001 0.000 2.151 398 I HA -0.330 3.839 4.170 -0.001 0.000 0.243 398 I C 2.436 178.526 176.117 -0.045 0.000 1.080 398 I CA 1.646 62.901 61.300 -0.075 0.000 1.339 398 I CB -0.476 37.403 38.000 -0.202 0.000 1.039 398 I HN 0.352 nan 8.210 nan 0.000 0.409 399 S N 1.171 116.859 115.700 -0.020 0.000 2.402 399 S HA -0.081 4.389 4.470 -0.001 0.000 0.229 399 S C 1.867 176.420 174.600 -0.079 0.000 1.021 399 S CA 0.932 59.129 58.200 -0.005 0.000 0.974 399 S CB -0.664 62.608 63.200 0.121 0.000 0.800 399 S HN 0.446 nan 8.310 nan 0.000 0.484 400 L N 1.026 122.206 121.223 -0.073 0.000 2.558 400 L HA 0.278 4.617 4.340 -0.001 0.000 0.225 400 L C 1.718 178.539 176.870 -0.082 0.000 1.128 400 L CA 0.370 55.126 54.840 -0.141 0.000 0.868 400 L CB -0.638 41.358 42.059 -0.105 0.000 1.006 400 L HN 0.605 nan 8.230 nan 0.000 0.454 401 G N 0.807 109.585 108.800 -0.037 0.000 2.160 401 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 401 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 401 G C 0.144 175.044 174.900 0.001 0.000 1.022 401 G CA -0.172 44.922 45.100 -0.009 0.000 0.741 401 G HN 0.202 nan 8.290 nan 0.000 0.508 402 L N -0.120 121.115 121.223 0.020 0.000 2.375 402 L HA 0.726 5.066 4.340 -0.001 0.000 0.271 402 L C 0.936 177.797 176.870 -0.015 0.000 1.107 402 L CA 0.153 55.000 54.840 0.011 0.000 0.806 402 L CB 1.452 43.550 42.059 0.066 0.000 1.146 402 L HN 0.350 nan 8.230 nan 0.000 0.447 403 G N 0.514 109.282 108.800 -0.053 0.000 2.698 403 G HA2 0.352 4.311 3.960 -0.001 0.000 0.293 403 G HA3 0.352 4.311 3.960 -0.001 0.000 0.293 403 G C -1.226 173.620 174.900 -0.089 0.000 1.437 403 G CA -0.486 44.573 45.100 -0.069 0.000 0.852 403 G HN 0.454 nan 8.290 nan 0.000 0.499 404 S N -0.449 115.183 115.700 -0.113 0.000 2.558 404 S HA 0.279 4.748 4.470 -0.001 0.000 0.291 404 S C 1.554 176.104 174.600 -0.084 0.000 1.306 404 S CA 0.733 58.867 58.200 -0.109 0.000 1.056 404 S CB 0.946 64.032 63.200 -0.189 0.000 0.836 404 S HN 0.989 nan 8.310 nan 0.000 0.504 405 T N -1.471 113.094 114.554 0.019 0.000 2.959 405 T HA 0.081 4.431 4.350 -0.001 0.000 0.254 405 T C 0.228 174.984 174.700 0.093 0.000 1.003 405 T CA -0.159 61.964 62.100 0.038 0.000 0.950 405 T CB -0.054 68.842 68.868 0.048 0.000 1.090 405 T HN 0.818 nan 8.240 nan 0.000 0.503 406 H N 1.895 120.932 119.070 -0.055 0.000 2.685 406 H HA 0.570 5.125 4.556 -0.001 0.000 0.307 406 H C -1.094 174.214 175.328 -0.033 0.000 1.017 406 H CA -1.797 54.232 56.048 -0.032 0.000 1.237 406 H CB 0.159 29.910 29.762 -0.020 0.000 1.409 406 H HN 0.012 nan 8.280 nan 0.000 0.488 407 L N 3.442 124.609 121.223 -0.093 0.000 2.562 407 L HA 0.205 4.544 4.340 -0.001 0.000 0.271 407 L C 0.655 177.475 176.870 -0.082 0.000 1.167 407 L CA 0.488 55.262 54.840 -0.109 0.000 0.917 407 L CB -0.053 42.013 42.059 0.012 0.000 1.187 407 L HN 0.564 nan 8.230 nan 0.000 0.482 408 T N 2.689 117.161 114.554 -0.136 0.000 2.855 408 T HA 0.440 4.789 4.350 -0.001 0.000 0.281 408 T C 0.098 174.789 174.700 -0.015 0.000 1.007 408 T CA -0.942 61.121 62.100 -0.062 0.000 1.009 408 T CB 1.269 70.084 68.868 -0.088 0.000 0.983 408 T HN 0.633 nan 8.240 nan 0.000 0.455 409 R N 1.727 122.233 120.500 0.011 0.000 2.480 409 R HA 0.046 4.385 4.340 -0.001 0.000 0.303 409 R C -0.634 175.678 176.300 0.020 0.000 0.985 409 R CA -0.409 55.703 56.100 0.021 0.000 1.051 409 R CB -0.205 30.105 30.300 0.017 0.000 0.935 409 R HN 0.506 nan 8.270 nan 0.000 0.410 410 D N 3.345 123.762 120.400 0.029 0.000 2.451 410 D HA 0.033 4.672 4.640 -0.001 0.000 0.254 410 D C 0.455 176.774 176.300 0.032 0.000 1.204 410 D CA 0.640 54.657 54.000 0.029 0.000 0.896 410 D CB 0.536 41.361 40.800 0.041 0.000 1.136 410 D HN 0.665 nan 8.370 nan 0.000 0.499 411 G N 4.785 113.601 108.800 0.026 0.000 2.198 411 G HA2 0.012 3.971 3.960 -0.001 0.000 0.280 411 G HA3 0.012 3.971 3.960 -0.001 0.000 0.280 411 G C 0.788 175.718 174.900 0.051 0.000 0.954 411 G CA 0.701 45.821 45.100 0.033 0.000 1.281 411 G HN 0.822 nan 8.290 nan 0.000 0.373 412 E N 1.430 121.662 120.200 0.053 0.000 3.534 412 E HA -0.370 3.979 4.350 -0.001 0.000 0.444 412 E C 0.722 177.378 176.600 0.093 0.000 1.628 412 E CA 1.398 57.840 56.400 0.070 0.000 1.458 412 E CB -0.435 29.316 29.700 0.085 0.000 1.419 412 E HN 0.699 nan 8.360 nan 0.000 0.418 413 R N 0.735 121.327 120.500 0.153 0.000 2.774 413 R HA 0.354 4.694 4.340 -0.001 0.000 0.272 413 R C -0.373 176.044 176.300 0.194 0.000 1.000 413 R CA -0.550 55.658 56.100 0.180 0.000 0.906 413 R CB 1.433 31.865 30.300 0.219 0.000 1.227 413 R HN 0.221 nan 8.270 nan 0.000 0.468 414 K N 0.011 120.467 120.400 0.094 0.000 2.240 414 K HA 0.218 4.537 4.320 -0.001 0.000 0.202 414 K C 0.150 176.663 176.600 -0.145 0.000 1.053 414 K CA 1.189 57.452 56.287 -0.039 0.000 0.973 414 K CB 0.434 32.913 32.500 -0.035 0.000 0.924 414 K HN 0.652 nan 8.250 nan 0.000 0.477 415 S N -1.514 114.188 115.700 0.003 0.000 2.790 415 S HA 0.684 5.154 4.470 -0.001 0.000 0.292 415 S C -1.311 173.376 174.600 0.145 0.000 1.197 415 S CA -0.930 57.276 58.200 0.010 0.000 0.851 415 S CB 1.446 64.624 63.200 -0.036 0.000 1.217 415 S HN 0.004 nan 8.310 nan 0.000 0.526 416 M N 1.747 121.422 119.600 0.125 0.000 2.323 416 M HA 0.511 4.990 4.480 -0.001 0.000 0.278 416 M C -1.737 174.613 176.300 0.083 0.000 1.069 416 M CA 0.052 55.423 55.300 0.118 0.000 0.950 416 M CB 1.700 34.392 32.600 0.153 0.000 1.879 416 M HN 1.227 nan 8.290 nan 0.000 0.491 417 S N 2.807 118.544 115.700 0.061 0.000 2.794 417 S HA 0.989 5.459 4.470 -0.001 0.000 0.299 417 S C -0.981 173.643 174.600 0.039 0.000 1.179 417 S CA -0.448 57.780 58.200 0.048 0.000 0.838 417 S CB 2.035 65.257 63.200 0.037 0.000 1.206 417 S HN 1.382 nan 8.310 nan 0.000 0.523 418 V N -1.561 118.374 119.914 0.034 0.000 2.852 418 V HA 0.856 4.975 4.120 -0.001 0.000 0.300 418 V C -1.439 174.673 176.094 0.030 0.000 1.205 418 V CA -0.846 61.471 62.300 0.029 0.000 0.940 418 V CB 0.940 32.781 31.823 0.029 0.000 1.047 418 V HN 1.235 nan 8.190 nan 0.000 0.429 419 E N 2.627 122.841 120.200 0.023 0.000 2.383 419 E HA 0.893 5.242 4.350 -0.001 0.000 0.275 419 E C -1.374 175.239 176.600 0.021 0.000 0.918 419 E CA -1.272 55.140 56.400 0.020 0.000 0.764 419 E CB 3.189 32.889 29.700 -0.000 0.000 1.252 419 E HN 0.556 nan 8.360 nan 0.000 0.449 420 R N 0.414 120.935 120.500 0.035 0.000 2.574 420 R HA 0.462 4.801 4.340 -0.001 0.000 0.288 420 R C -1.315 174.909 176.300 -0.127 0.000 1.004 420 R CA -0.425 55.712 56.100 0.061 0.000 0.895 420 R CB 2.469 32.900 30.300 0.219 0.000 1.191 420 R HN 0.635 nan 8.270 nan 0.000 0.444 421 T N 4.243 118.689 114.554 -0.180 0.000 2.902 421 T HA 0.761 5.110 4.350 -0.001 0.000 0.283 421 T C -0.847 173.684 174.700 -0.282 0.000 1.009 421 T CA -0.208 61.623 62.100 -0.449 0.000 1.051 421 T CB 0.519 69.234 68.868 -0.255 0.000 0.999 421 T HN 0.421 nan 8.240 nan 0.000 0.474 422 F N -1.788 118.128 119.950 -0.056 0.000 3.122 422 F HA 0.651 5.177 4.527 -0.001 0.000 0.325 422 F C -0.464 175.309 175.800 -0.045 0.000 1.162 422 F CA -1.582 56.391 58.000 -0.045 0.000 0.876 422 F CB 0.163 39.143 39.000 -0.035 0.000 1.429 422 F HN 0.352 nan 8.300 nan 0.000 0.484 423 S N 0.034 115.931 115.700 0.329 0.000 2.585 423 S HA 0.183 4.652 4.470 -0.001 0.000 0.273 423 S C -0.179 174.586 174.600 0.275 0.000 1.339 423 S CA -0.506 57.812 58.200 0.196 0.000 1.028 423 S CB 0.596 63.861 63.200 0.107 0.000 0.906 423 S HN 0.734 nan 8.310 nan 0.000 0.528 424 E N 0.531 120.832 120.200 0.168 0.000 2.565 424 E HA -0.083 4.266 4.350 -0.001 0.000 0.268 424 E C -0.811 175.862 176.600 0.121 0.000 1.000 424 E CA 0.633 57.128 56.400 0.158 0.000 0.964 424 E CB 0.194 29.948 29.700 0.090 0.000 0.955 424 E HN 0.492 nan 8.360 nan 0.000 0.459 425 I N 4.720 125.361 120.570 0.120 0.000 2.901 425 I HA 0.018 4.187 4.170 -0.001 0.000 0.289 425 I C 0.776 176.920 176.117 0.044 0.000 1.553 425 I CA -0.553 60.753 61.300 0.011 0.000 0.829 425 I CB 0.209 38.112 38.000 -0.161 0.000 1.840 425 I HN 0.571 nan 8.210 nan 0.000 0.606 426 N N 3.750 122.481 118.700 0.051 0.000 2.084 426 N HA -0.176 4.564 4.740 -0.001 0.000 0.190 426 N C 0.428 175.973 175.510 0.058 0.000 1.030 426 N CA 0.922 54.008 53.050 0.060 0.000 0.849 426 N CB -0.200 38.318 38.487 0.052 0.000 1.012 426 N HN 0.412 nan 8.380 nan 0.000 0.423 427 K N 1.692 122.118 120.400 0.043 0.000 2.264 427 K HA 0.063 4.382 4.320 -0.001 0.000 0.262 427 K C 1.234 177.879 176.600 0.075 0.000 1.247 427 K CA 0.146 56.462 56.287 0.049 0.000 1.248 427 K CB 0.013 32.530 32.500 0.029 0.000 0.825 427 K HN 0.296 nan 8.250 nan 0.000 0.468 428 A N 4.821 127.703 122.820 0.104 0.000 1.881 428 A HA -0.333 3.986 4.320 -0.001 0.000 0.219 428 A C 2.179 179.922 177.584 0.265 0.000 1.215 428 A CA 2.195 54.334 52.037 0.171 0.000 0.648 428 A CB -0.459 18.647 19.000 0.178 0.000 0.832 428 A HN 0.927 nan 8.150 nan 0.000 0.455 429 E N -0.422 119.882 120.200 0.174 0.000 2.153 429 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 429 E C 1.809 178.500 176.600 0.153 0.000 0.988 429 E CA 1.495 57.983 56.400 0.147 0.000 0.811 429 E CB -0.361 29.369 29.700 0.051 0.000 0.746 429 E HN 0.709 nan 8.360 nan 0.000 0.466 430 E N 1.789 122.047 120.200 0.097 0.000 2.051 430 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 430 E C 2.166 178.794 176.600 0.046 0.000 0.991 430 E CA 1.947 58.373 56.400 0.044 0.000 0.799 430 E CB -0.213 29.488 29.700 0.000 0.000 0.748 430 E HN 0.451 nan 8.360 nan 0.000 0.449 431 Q N -0.710 119.125 119.800 0.059 0.000 2.014 431 Q HA -0.236 4.104 4.340 -0.001 0.000 0.207 431 Q C 2.227 178.254 176.000 0.045 0.000 0.993 431 Q CA 2.086 57.894 55.803 0.008 0.000 0.850 431 Q CB -0.626 28.096 28.738 -0.026 0.000 0.916 431 Q HN 0.415 nan 8.270 nan 0.000 0.417 432 Y N 0.829 121.166 120.300 0.061 0.000 2.132 432 Y HA -0.337 4.212 4.550 -0.001 0.000 0.280 432 Y C 2.917 178.864 175.900 0.078 0.000 1.193 432 Y CA 1.577 59.755 58.100 0.129 0.000 1.157 432 Y CB -0.649 37.907 38.460 0.159 0.000 0.966 432 Y HN 0.162 nan 8.280 nan 0.000 0.511 433 S N -0.037 115.764 115.700 0.169 0.000 2.359 433 S HA -0.231 4.239 4.470 -0.001 0.000 0.223 433 S C 2.078 176.660 174.600 -0.029 0.000 1.039 433 S CA 1.637 59.852 58.200 0.025 0.000 1.042 433 S CB -0.685 62.514 63.200 -0.001 0.000 0.915 433 S HN 0.371 nan 8.310 nan 0.000 0.439 434 L N 1.684 122.890 121.223 -0.028 0.000 2.093 434 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 434 L C 2.716 179.585 176.870 -0.002 0.000 1.085 434 L CA 2.050 56.863 54.840 -0.045 0.000 0.755 434 L CB -1.549 40.451 42.059 -0.099 0.000 0.904 434 L HN 0.694 nan 8.230 nan 0.000 0.435 435 C N -0.526 118.798 119.300 0.040 0.000 2.413 435 C HA -0.225 4.235 4.460 -0.001 0.000 0.278 435 C C 2.805 177.852 174.990 0.094 0.000 1.224 435 C CA 1.536 60.611 59.018 0.095 0.000 1.732 435 C CB -0.999 26.831 27.740 0.150 0.000 2.050 435 C HN 0.738 nan 8.230 nan 0.000 0.463 436 Q N 0.334 120.125 119.800 -0.016 0.000 2.077 436 Q HA -0.254 4.086 4.340 -0.001 0.000 0.206 436 Q C 2.032 177.907 176.000 -0.208 0.000 0.989 436 Q CA 2.266 57.824 55.803 -0.410 0.000 0.853 436 Q CB -0.453 27.618 28.738 -1.111 0.000 0.907 436 Q HN 0.779 nan 8.270 nan 0.000 0.418 437 E N 0.069 120.183 120.200 -0.143 0.000 2.396 437 E HA -0.148 4.202 4.350 -0.001 0.000 0.200 437 E C 1.984 178.562 176.600 -0.037 0.000 1.023 437 E CA 0.578 56.925 56.400 -0.088 0.000 0.857 437 E CB 0.045 29.703 29.700 -0.070 0.000 0.775 437 E HN 0.408 nan 8.360 nan 0.000 0.525 438 L N -0.352 120.867 121.223 -0.007 0.000 2.121 438 L HA -0.116 4.223 4.340 -0.001 0.000 0.200 438 L C 2.525 179.415 176.870 0.034 0.000 1.077 438 L CA 0.463 55.317 54.840 0.024 0.000 0.766 438 L CB -0.410 41.679 42.059 0.050 0.000 0.931 438 L HN 0.271 nan 8.230 nan 0.000 0.452 439 C N -0.617 118.718 119.300 0.060 0.000 2.391 439 C HA -0.244 4.216 4.460 -0.001 0.000 0.276 439 C C 3.281 178.297 174.990 0.043 0.000 1.217 439 C CA 1.384 60.450 59.018 0.080 0.000 1.766 439 C CB -1.016 26.812 27.740 0.147 0.000 2.046 439 C HN 0.616 nan 8.230 nan 0.000 0.475 440 S N 0.271 115.976 115.700 0.009 0.000 2.365 440 S HA -0.281 4.188 4.470 -0.001 0.000 0.221 440 S C 1.962 176.562 174.600 0.000 0.000 1.037 440 S CA 2.176 60.370 58.200 -0.010 0.000 1.060 440 S CB -0.510 62.664 63.200 -0.044 0.000 0.974 440 S HN 0.751 nan 8.310 nan 0.000 0.427 441 E N -0.233 119.966 120.200 -0.001 0.000 2.070 441 E HA -0.199 4.151 4.350 -0.001 0.000 0.197 441 E C 2.146 178.753 176.600 0.012 0.000 1.004 441 E CA 1.476 57.877 56.400 0.002 0.000 0.805 441 E CB -0.307 29.394 29.700 0.002 0.000 0.744 441 E HN 0.446 nan 8.360 nan 0.000 0.451 442 L N 0.938 122.176 121.223 0.024 0.000 2.012 442 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 442 L C 2.258 179.147 176.870 0.033 0.000 1.073 442 L CA 2.335 57.196 54.840 0.036 0.000 0.748 442 L CB -1.070 41.020 42.059 0.051 0.000 0.891 442 L HN 0.184 nan 8.230 nan 0.000 0.431 443 A N -1.104 121.735 122.820 0.031 0.000 1.873 443 A HA -0.319 4.001 4.320 -0.001 0.000 0.218 443 A C 2.161 179.753 177.584 0.012 0.000 1.193 443 A CA 2.115 54.168 52.037 0.026 0.000 0.629 443 A CB -0.741 18.274 19.000 0.026 0.000 0.826 443 A HN 0.655 nan 8.150 nan 0.000 0.447 444 Q N -0.496 119.308 119.800 0.007 0.000 2.014 444 Q HA -0.263 4.076 4.340 -0.001 0.000 0.207 444 Q C 1.831 177.832 176.000 0.001 0.000 0.993 444 Q CA 1.945 57.749 55.803 0.001 0.000 0.850 444 Q CB -0.412 28.325 28.738 -0.002 0.000 0.916 444 Q HN 0.687 nan 8.270 nan 0.000 0.417 445 D N 0.365 120.768 120.400 0.006 0.000 2.133 445 D HA -0.197 4.442 4.640 -0.001 0.000 0.192 445 D C 1.684 177.987 176.300 0.006 0.000 1.001 445 D CA 1.011 55.016 54.000 0.009 0.000 0.844 445 D CB -0.260 40.551 40.800 0.018 0.000 0.944 445 D HN 0.078 nan 8.370 nan 0.000 0.447 446 L N 0.544 121.771 121.223 0.007 0.000 1.948 446 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 446 L C 1.960 178.808 176.870 -0.036 0.000 1.074 446 L CA 1.755 56.589 54.840 -0.010 0.000 0.753 446 L CB -0.788 41.276 42.059 0.008 0.000 0.888 446 L HN -0.018 nan 8.230 nan 0.000 0.432 447 Q N 0.214 119.999 119.800 -0.024 0.000 2.576 447 Q HA -0.257 4.082 4.340 -0.001 0.000 0.218 447 Q C 1.536 177.520 176.000 -0.026 0.000 0.983 447 Q CA 1.147 56.933 55.803 -0.028 0.000 0.920 447 Q CB -0.148 28.581 28.738 -0.015 0.000 0.973 447 Q HN 0.538 nan 8.270 nan 0.000 0.528 448 K N -0.032 120.355 120.400 -0.022 0.000 2.417 448 K HA 0.036 4.355 4.320 -0.001 0.000 0.196 448 K C 0.166 176.753 176.600 -0.021 0.000 1.023 448 K CA 0.247 56.524 56.287 -0.016 0.000 1.122 448 K CB 0.486 32.982 32.500 -0.007 0.000 0.850 448 K HN 0.164 nan 8.250 nan 0.000 0.521 449 E N -0.274 119.903 120.200 -0.038 0.000 2.744 449 E HA 0.132 4.481 4.350 -0.001 0.000 0.210 449 E C -0.826 175.730 176.600 -0.074 0.000 0.950 449 E CA -0.198 56.173 56.400 -0.047 0.000 1.282 449 E CB 0.779 30.450 29.700 -0.048 0.000 1.123 449 E HN 0.088 nan 8.360 nan 0.000 0.544 450 R N 1.651 122.108 120.500 -0.071 0.000 3.264 450 R HA -0.160 4.180 4.340 -0.001 0.000 0.251 450 R C -0.614 175.605 176.300 -0.135 0.000 0.971 450 R CA 0.413 56.464 56.100 -0.081 0.000 0.658 450 R CB -0.997 29.268 30.300 -0.058 0.000 1.095 450 R HN 0.126 nan 8.270 nan 0.000 0.443 451 L N 0.517 121.625 121.223 -0.193 0.000 2.334 451 L HA 0.519 4.859 4.340 -0.001 0.000 0.270 451 L C 0.511 177.234 176.870 -0.245 0.000 1.018 451 L CA -0.171 54.457 54.840 -0.354 0.000 0.811 451 L CB 1.721 43.408 42.059 -0.620 0.000 1.271 451 L HN 0.130 nan 8.230 nan 0.000 0.443 452 K N 1.141 121.391 120.400 -0.249 0.000 2.740 452 K HA 0.370 4.690 4.320 -0.001 0.000 0.246 452 K C -0.192 176.454 176.600 0.076 0.000 1.021 452 K CA -0.349 55.904 56.287 -0.057 0.000 1.021 452 K CB 1.935 34.419 32.500 -0.026 0.000 1.233 452 K HN 0.822 nan 8.250 nan 0.000 0.497 453 G N 1.144 110.095 108.800 0.251 0.000 2.562 453 G HA2 0.233 4.192 3.960 -0.001 0.000 0.275 453 G HA3 0.233 4.192 3.960 -0.001 0.000 0.275 453 G C 0.363 175.392 174.900 0.215 0.000 1.196 453 G CA -0.607 44.791 45.100 0.497 0.000 0.908 453 G HN 0.659 nan 8.290 nan 0.000 0.524 454 R N -0.963 119.622 120.500 0.142 0.000 2.659 454 R HA 0.319 4.658 4.340 -0.001 0.000 0.418 454 R C -0.716 175.599 176.300 0.025 0.000 1.076 454 R CA -0.372 55.769 56.100 0.068 0.000 1.093 454 R CB 0.380 30.713 30.300 0.055 0.000 1.400 454 R HN 0.246 nan 8.270 nan 0.000 0.583 455 T N 0.918 115.481 114.554 0.016 0.000 3.143 455 T HA 0.255 4.604 4.350 -0.001 0.000 0.312 455 T C -1.179 173.519 174.700 -0.003 0.000 0.986 455 T CA -0.413 61.679 62.100 -0.014 0.000 1.024 455 T CB 2.235 71.068 68.868 -0.058 0.000 1.030 455 T HN -0.036 nan 8.240 nan 0.000 0.448 456 V N 3.725 123.641 119.914 0.003 0.000 2.435 456 V HA 0.678 4.798 4.120 -0.001 0.000 0.290 456 V C 0.100 176.192 176.094 -0.002 0.000 1.030 456 V CA -0.351 61.956 62.300 0.011 0.000 0.881 456 V CB 1.977 33.812 31.823 0.020 0.000 0.983 456 V HN 0.954 nan 8.190 nan 0.000 0.445 457 T N 6.215 120.769 114.554 0.000 0.000 2.861 457 T HA 0.619 4.969 4.350 -0.001 0.000 0.287 457 T C -0.684 174.017 174.700 0.001 0.000 1.003 457 T CA -0.248 61.848 62.100 -0.007 0.000 0.977 457 T CB 1.650 70.510 68.868 -0.013 0.000 0.996 457 T HN 0.605 nan 8.240 nan 0.000 0.448 458 I N 2.159 122.725 120.570 -0.007 0.000 2.509 458 I HA 0.627 4.796 4.170 -0.001 0.000 0.293 458 I C -1.246 174.865 176.117 -0.010 0.000 1.020 458 I CA -0.914 60.383 61.300 -0.004 0.000 1.088 458 I CB 1.520 39.513 38.000 -0.013 0.000 1.267 458 I HN 0.455 nan 8.210 nan 0.000 0.430 459 K N 7.687 128.085 120.400 -0.003 0.000 2.244 459 K HA 0.642 4.961 4.320 -0.001 0.000 0.260 459 K C -1.472 175.121 176.600 -0.011 0.000 0.951 459 K CA -0.549 55.733 56.287 -0.008 0.000 0.826 459 K CB 2.215 34.713 32.500 -0.004 0.000 1.108 459 K HN 0.532 nan 8.250 nan 0.000 0.433 460 L N 2.990 124.202 121.223 -0.018 0.000 2.376 460 L HA 0.449 4.788 4.340 -0.001 0.000 0.275 460 L C -0.714 176.144 176.870 -0.020 0.000 0.987 460 L CA -0.695 54.134 54.840 -0.017 0.000 0.828 460 L CB 1.780 43.824 42.059 -0.025 0.000 1.249 460 L HN 0.478 nan 8.230 nan 0.000 0.409 461 K N 2.788 123.160 120.400 -0.047 0.000 2.450 461 K HA 0.379 4.698 4.320 -0.001 0.000 0.257 461 K C -0.234 176.312 176.600 -0.090 0.000 0.953 461 K CA -0.674 55.574 56.287 -0.066 0.000 0.844 461 K CB 1.119 33.549 32.500 -0.117 0.000 1.103 461 K HN 0.462 nan 8.250 nan 0.000 0.429 462 N N 0.784 119.472 118.700 -0.020 0.000 2.202 462 N HA -0.106 4.633 4.740 -0.001 0.000 0.228 462 N C 0.868 176.317 175.510 -0.102 0.000 1.340 462 N CA -0.084 52.969 53.050 0.005 0.000 0.865 462 N CB 0.261 38.796 38.487 0.080 0.000 1.062 462 N HN 0.241 nan 8.380 nan 0.000 0.452 463 V N -0.100 119.791 119.914 -0.038 0.000 3.608 463 V HA 0.005 4.125 4.120 -0.001 0.000 0.269 463 V C 1.028 177.157 176.094 0.058 0.000 1.245 463 V CA 0.696 62.950 62.300 -0.076 0.000 1.138 463 V CB -1.018 30.813 31.823 0.013 0.000 0.841 463 V HN 0.692 nan 8.190 nan 0.000 0.451 464 N N -0.594 118.201 118.700 0.158 0.000 2.238 464 N HA 0.035 4.775 4.740 -0.001 0.000 0.222 464 N C 0.380 176.204 175.510 0.525 0.000 1.133 464 N CA -0.408 52.851 53.050 0.348 0.000 0.854 464 N CB 0.187 38.787 38.487 0.188 0.000 1.041 464 N HN 0.333 nan 8.380 nan 0.000 0.510 465 F N -0.093 119.894 119.950 0.063 0.000 3.034 465 F HA -0.190 4.336 4.527 -0.001 0.000 0.286 465 F C 0.466 176.288 175.800 0.036 0.000 0.804 465 F CA 0.142 58.175 58.000 0.055 0.000 1.161 465 F CB -2.112 36.938 39.000 0.084 0.000 1.317 465 F HN 0.138 nan 8.300 nan 0.000 0.453 466 E N 2.068 122.372 120.200 0.172 0.000 1.858 466 E HA 0.210 4.560 4.350 -0.001 0.000 0.278 466 E C 0.228 176.875 176.600 0.079 0.000 1.172 466 E CA 0.073 56.542 56.400 0.115 0.000 1.127 466 E CB -0.009 29.757 29.700 0.109 0.000 1.084 466 E HN 0.164 nan 8.360 nan 0.000 0.455 467 V N 3.050 123.012 119.914 0.079 0.000 2.901 467 V HA -0.021 4.099 4.120 -0.001 0.000 0.307 467 V C 0.758 176.867 176.094 0.025 0.000 1.084 467 V CA 0.634 62.961 62.300 0.045 0.000 1.184 467 V CB 0.399 32.255 31.823 0.054 0.000 0.941 467 V HN 0.383 nan 8.190 nan 0.000 0.493 468 K N 1.194 121.598 120.400 0.005 0.000 2.532 468 K HA 0.610 4.929 4.320 -0.001 0.000 0.265 468 K C -0.934 175.655 176.600 -0.017 0.000 0.948 468 K CA -0.693 55.587 56.287 -0.011 0.000 0.842 468 K CB 2.325 34.807 32.500 -0.030 0.000 1.392 468 K HN 0.701 nan 8.250 nan 0.000 0.436 469 T N 1.638 116.180 114.554 -0.021 0.000 3.078 469 T HA 0.347 4.696 4.350 -0.001 0.000 0.328 469 T C -1.230 173.452 174.700 -0.029 0.000 0.987 469 T CA -0.810 61.277 62.100 -0.022 0.000 1.049 469 T CB 0.304 69.164 68.868 -0.013 0.000 1.011 469 T HN 0.327 nan 8.240 nan 0.000 0.463 470 R N 2.438 122.916 120.500 -0.037 0.000 2.540 470 R HA 0.936 5.276 4.340 -0.001 0.000 0.287 470 R C -0.433 175.846 176.300 -0.034 0.000 0.980 470 R CA -0.700 55.375 56.100 -0.040 0.000 0.966 470 R CB 1.577 31.845 30.300 -0.054 0.000 1.106 470 R HN 0.815 nan 8.270 nan 0.000 0.480 471 A N 0.409 123.210 122.820 -0.032 0.000 2.594 471 A HA 0.509 4.828 4.320 -0.001 0.000 0.296 471 A C -1.064 176.504 177.584 -0.027 0.000 1.061 471 A CA -0.473 51.548 52.037 -0.027 0.000 0.689 471 A CB 1.887 20.872 19.000 -0.025 0.000 1.280 471 A HN 0.546 nan 8.150 nan 0.000 0.406 472 S N -0.153 115.532 115.700 -0.024 0.000 2.607 472 S HA 0.886 5.355 4.470 -0.001 0.000 0.303 472 S C -0.380 174.209 174.600 -0.018 0.000 1.086 472 S CA 0.221 58.408 58.200 -0.022 0.000 0.995 472 S CB 1.776 64.962 63.200 -0.023 0.000 1.084 472 S HN 1.713 nan 8.310 nan 0.000 0.507 473 T N 1.629 116.173 114.554 -0.017 0.000 2.893 473 T HA 0.738 5.087 4.350 -0.001 0.000 0.293 473 T C -0.845 173.850 174.700 -0.008 0.000 1.027 473 T CA -0.219 61.873 62.100 -0.013 0.000 0.988 473 T CB 0.845 69.701 68.868 -0.020 0.000 1.043 473 T HN 1.202 nan 8.240 nan 0.000 0.461 474 V N 1.216 121.130 119.914 -0.001 0.000 3.181 474 V HA 0.787 4.907 4.120 -0.001 0.000 0.307 474 V C 0.559 176.659 176.094 0.010 0.000 1.310 474 V CA -0.136 62.166 62.300 0.003 0.000 1.067 474 V CB 1.269 33.094 31.823 0.004 0.000 1.081 474 V HN 0.960 nan 8.190 nan 0.000 0.453 475 S N -1.561 114.146 115.700 0.011 0.000 2.540 475 S HA 0.059 4.528 4.470 -0.001 0.000 0.218 475 S C 1.606 176.219 174.600 0.021 0.000 0.977 475 S CA 0.753 58.963 58.200 0.016 0.000 0.918 475 S CB 0.284 63.491 63.200 0.012 0.000 0.806 475 S HN 1.172 nan 8.310 nan 0.000 0.496 476 S N 1.404 117.116 115.700 0.020 0.000 2.465 476 S HA -0.049 4.421 4.470 -0.001 0.000 0.241 476 S C 0.796 175.414 174.600 0.030 0.000 1.000 476 S CA 0.843 59.056 58.200 0.022 0.000 0.964 476 S CB -0.895 62.316 63.200 0.019 0.000 0.763 476 S HN 0.796 nan 8.310 nan 0.000 0.512 477 V N 0.694 120.633 119.914 0.041 0.000 5.830 477 V HA -0.204 3.916 4.120 -0.001 0.000 0.274 477 V C 0.445 176.572 176.094 0.054 0.000 0.632 477 V CA 0.421 62.756 62.300 0.057 0.000 0.594 477 V CB -2.577 29.275 31.823 0.049 0.000 0.249 477 V HN 0.338 nan 8.190 nan 0.000 0.697 478 V N 1.752 121.701 119.914 0.057 0.000 3.178 478 V HA 0.371 4.490 4.120 -0.001 0.000 0.306 478 V C 1.230 177.357 176.094 0.056 0.000 1.107 478 V CA 1.264 63.595 62.300 0.053 0.000 1.195 478 V CB 1.547 33.402 31.823 0.054 0.000 0.993 478 V HN 1.181 nan 8.190 nan 0.000 0.493 479 S N -1.120 114.606 115.700 0.043 0.000 2.551 479 S HA 0.059 4.528 4.470 -0.001 0.000 0.236 479 S C 0.230 174.847 174.600 0.029 0.000 0.915 479 S CA 0.266 58.485 58.200 0.031 0.000 1.525 479 S CB -0.043 63.161 63.200 0.005 0.000 1.256 479 S HN 1.082 nan 8.310 nan 0.000 0.641 480 T N -0.269 114.308 114.554 0.037 0.000 2.929 480 T HA 0.821 5.170 4.350 -0.001 0.000 0.284 480 T C 1.567 176.300 174.700 0.055 0.000 1.014 480 T CA 0.099 62.222 62.100 0.038 0.000 1.051 480 T CB 1.453 70.343 68.868 0.036 0.000 1.028 480 T HN 0.591 nan 8.240 nan 0.000 0.485 481 A N 2.387 125.236 122.820 0.048 0.000 1.859 481 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 481 A C 2.078 179.726 177.584 0.107 0.000 1.198 481 A CA 2.247 54.319 52.037 0.059 0.000 0.629 481 A CB -1.296 17.718 19.000 0.025 0.000 0.830 481 A HN 0.939 nan 8.150 nan 0.000 0.446 482 E N -0.123 120.137 120.200 0.100 0.000 2.023 482 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 482 E C 1.952 178.647 176.600 0.157 0.000 1.003 482 E CA 1.415 57.907 56.400 0.155 0.000 0.809 482 E CB -0.470 29.292 29.700 0.105 0.000 0.755 482 E HN 0.711 nan 8.360 nan 0.000 0.449 483 E N 0.108 120.366 120.200 0.096 0.000 2.113 483 E HA -0.267 4.083 4.350 -0.001 0.000 0.210 483 E C 2.132 178.779 176.600 0.078 0.000 1.040 483 E CA 1.581 58.023 56.400 0.071 0.000 0.847 483 E CB -0.306 29.427 29.700 0.053 0.000 0.755 483 E HN 0.252 nan 8.360 nan 0.000 0.459 484 I N 0.107 120.736 120.570 0.099 0.000 2.113 484 I HA -0.276 3.894 4.170 -0.001 0.000 0.238 484 I C 2.378 178.576 176.117 0.134 0.000 1.070 484 I CA 0.992 62.354 61.300 0.103 0.000 1.332 484 I CB -0.373 37.693 38.000 0.110 0.000 1.044 484 I HN 0.127 nan 8.210 nan 0.000 0.402 485 F N 2.026 121.994 119.950 0.030 0.000 2.192 485 F HA -0.287 4.239 4.527 -0.001 0.000 0.301 485 F C 2.352 178.178 175.800 0.043 0.000 1.079 485 F CA 0.988 59.011 58.000 0.038 0.000 1.303 485 F CB -0.609 38.416 39.000 0.040 0.000 1.024 485 F HN 0.050 nan 8.300 nan 0.000 0.494 486 A N 1.299 124.077 122.820 -0.070 0.000 1.852 486 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 486 A C 2.288 179.756 177.584 -0.193 0.000 1.215 486 A CA 2.285 54.225 52.037 -0.162 0.000 0.641 486 A CB -1.212 17.764 19.000 -0.039 0.000 0.838 486 A HN 0.353 nan 8.150 nan 0.000 0.450 487 I N -0.167 120.348 120.570 -0.092 0.000 2.099 487 I HA -0.282 3.887 4.170 -0.001 0.000 0.239 487 I C 3.040 179.101 176.117 -0.094 0.000 1.066 487 I CA 1.723 62.981 61.300 -0.071 0.000 1.324 487 I CB -1.806 36.179 38.000 -0.024 0.000 1.037 487 I HN 0.407 nan 8.210 nan 0.000 0.401 488 A N 0.845 123.621 122.820 -0.073 0.000 1.865 488 A HA -0.288 4.032 4.320 -0.001 0.000 0.217 488 A C 2.454 179.954 177.584 -0.139 0.000 1.191 488 A CA 2.265 54.270 52.037 -0.053 0.000 0.623 488 A CB -0.803 18.230 19.000 0.055 0.000 0.826 488 A HN 0.443 nan 8.150 nan 0.000 0.444 489 K N -0.789 119.382 120.400 -0.380 0.000 2.127 489 K HA -0.262 4.057 4.320 -0.001 0.000 0.208 489 K C 2.054 178.559 176.600 -0.157 0.000 1.047 489 K CA 1.875 57.855 56.287 -0.510 0.000 0.927 489 K CB -0.094 31.587 32.500 -1.365 0.000 0.716 489 K HN 0.479 nan 8.250 nan 0.000 0.450 490 E N 0.985 121.086 120.200 -0.165 0.000 2.033 490 E HA -0.116 4.233 4.350 -0.001 0.000 0.189 490 E C 2.163 178.728 176.600 -0.059 0.000 0.979 490 E CA 0.932 57.286 56.400 -0.077 0.000 0.802 490 E CB -0.246 29.405 29.700 -0.080 0.000 0.763 490 E HN 0.363 nan 8.360 nan 0.000 0.449 491 L N 0.686 121.865 121.223 -0.073 0.000 1.990 491 L HA -0.233 4.106 4.340 -0.001 0.000 0.213 491 L C 2.710 179.527 176.870 -0.088 0.000 1.072 491 L CA 1.158 55.957 54.840 -0.068 0.000 0.755 491 L CB -0.580 41.444 42.059 -0.058 0.000 0.889 491 L HN 0.220 nan 8.230 nan 0.000 0.432 492 L N -0.013 121.136 121.223 -0.123 0.000 2.353 492 L HA -0.192 4.148 4.340 -0.001 0.000 0.220 492 L C 2.263 179.005 176.870 -0.214 0.000 1.133 492 L CA 1.678 56.399 54.840 -0.199 0.000 0.798 492 L CB -0.720 41.159 42.059 -0.299 0.000 0.922 492 L HN 0.160 nan 8.230 nan 0.000 0.445 493 K N -1.552 118.793 120.400 -0.092 0.000 2.128 493 K HA -0.051 4.268 4.320 -0.001 0.000 0.202 493 K C 1.717 178.322 176.600 0.008 0.000 1.050 493 K CA 1.218 57.537 56.287 0.053 0.000 0.966 493 K CB -0.001 32.593 32.500 0.157 0.000 0.759 493 K HN 0.328 nan 8.250 nan 0.000 0.454 494 T N 1.691 116.229 114.554 -0.028 0.000 2.881 494 T HA -0.089 4.261 4.350 -0.001 0.000 0.270 494 T C 1.317 175.976 174.700 -0.067 0.000 1.068 494 T CA 0.984 63.061 62.100 -0.039 0.000 1.131 494 T CB -0.033 68.808 68.868 -0.046 0.000 0.871 494 T HN 0.256 nan 8.240 nan 0.000 0.479 495 E N 1.187 121.331 120.200 -0.094 0.000 2.004 495 E HA 0.048 4.398 4.350 -0.001 0.000 0.192 495 E C 2.375 178.887 176.600 -0.148 0.000 0.987 495 E CA 0.632 56.943 56.400 -0.148 0.000 0.822 495 E CB -0.538 29.064 29.700 -0.163 0.000 0.779 495 E HN 0.431 nan 8.360 nan 0.000 0.458 496 I N 1.969 122.482 120.570 -0.095 0.000 2.182 496 I HA -0.344 3.825 4.170 -0.001 0.000 0.248 496 I C 1.687 177.802 176.117 -0.003 0.000 1.073 496 I CA 1.342 62.627 61.300 -0.024 0.000 1.335 496 I CB -0.561 37.465 38.000 0.045 0.000 1.031 496 I HN 0.062 nan 8.210 nan 0.000 0.420 497 D N 0.974 121.371 120.400 -0.006 0.000 1.989 497 D HA -0.045 4.595 4.640 -0.001 0.000 0.259 497 D C 2.170 178.458 176.300 -0.020 0.000 0.992 497 D CA 1.307 55.310 54.000 0.005 0.000 0.912 497 D CB -0.845 39.960 40.800 0.008 0.000 1.083 497 D HN 0.228 nan 8.370 nan 0.000 0.441 498 A N 0.596 123.395 122.820 -0.036 0.000 1.836 498 A HA -0.270 4.049 4.320 -0.001 0.000 0.269 498 A C 0.962 178.520 177.584 -0.043 0.000 2.597 498 A CA 2.459 54.469 52.037 -0.045 0.000 0.810 498 A CB -0.848 18.109 19.000 -0.072 0.000 0.833 498 A HN 0.393 nan 8.150 nan 0.000 0.542 499 D N -4.126 116.214 120.400 -0.100 0.000 2.533 499 D HA 0.585 5.224 4.640 -0.001 0.000 0.247 499 D C -0.236 176.081 176.300 0.028 0.000 1.056 499 D CA -0.279 53.682 54.000 -0.064 0.000 1.054 499 D CB 0.890 41.565 40.800 -0.208 0.000 1.400 499 D HN 0.374 nan 8.370 nan 0.000 0.533 500 F N -0.380 119.483 119.950 -0.145 0.000 2.535 500 F HA -0.135 4.392 4.527 -0.001 0.000 0.386 500 F C -1.533 174.142 175.800 -0.208 0.000 1.115 500 F CA -0.856 56.945 58.000 -0.332 0.000 1.261 500 F CB -0.723 38.111 39.000 -0.277 0.000 1.785 500 F HN 0.263 nan 8.300 nan 0.000 0.793 501 P HA -0.133 nan 4.420 nan 0.000 0.234 501 P C 0.256 177.684 177.300 0.213 0.000 1.167 501 P CA 1.609 64.816 63.100 0.178 0.000 0.763 501 P CB 0.073 31.902 31.700 0.216 0.000 0.835 502 H N -1.130 117.982 119.070 0.071 0.000 2.754 502 H HA 0.475 5.030 4.556 -0.001 0.000 0.352 502 H C -2.386 172.964 175.328 0.038 0.000 1.213 502 H CA -3.050 53.012 56.048 0.024 0.000 1.244 502 H CB -0.930 28.811 29.762 -0.034 0.000 1.843 502 H HN -0.196 nan 8.280 nan 0.000 0.587 503 P HA -0.137 nan 4.420 nan 0.000 0.274 503 P C -0.082 177.234 177.300 0.026 0.000 1.209 503 P CA 0.189 63.319 63.100 0.051 0.000 0.790 503 P CB 1.151 32.882 31.700 0.051 0.000 0.834 504 L N 2.191 123.489 121.223 0.126 0.000 2.445 504 L HA 0.261 4.600 4.340 -0.001 0.000 0.252 504 L C 0.696 177.658 176.870 0.153 0.000 1.105 504 L CA -0.721 54.274 54.840 0.258 0.000 0.943 504 L CB 0.076 42.272 42.059 0.229 0.000 1.277 504 L HN 0.299 nan 8.230 nan 0.000 0.465 505 R N 2.786 123.344 120.500 0.096 0.000 2.630 505 R HA 0.092 4.431 4.340 -0.001 0.000 0.286 505 R C -0.584 175.776 176.300 0.101 0.000 1.391 505 R CA -0.164 55.984 56.100 0.080 0.000 1.027 505 R CB -0.369 29.955 30.300 0.039 0.000 1.099 505 R HN 0.333 nan 8.270 nan 0.000 0.525 506 L N 1.997 123.300 121.223 0.134 0.000 2.439 506 L HA 0.322 4.661 4.340 -0.001 0.000 0.259 506 L C 1.568 178.545 176.870 0.178 0.000 1.129 506 L CA 0.251 55.183 54.840 0.152 0.000 0.803 506 L CB 0.837 43.037 42.059 0.235 0.000 1.161 506 L HN 0.530 nan 8.230 nan 0.000 0.462 507 R N 0.720 121.181 120.500 -0.065 0.000 2.471 507 R HA 0.390 4.729 4.340 -0.001 0.000 0.326 507 R C -1.164 174.476 176.300 -1.099 0.000 0.875 507 R CA -0.309 55.546 56.100 -0.409 0.000 1.102 507 R CB 0.601 30.690 30.300 -0.352 0.000 1.749 507 R HN 0.363 nan 8.270 nan 0.000 0.487 508 L N 1.649 122.404 121.223 -0.780 0.000 2.592 508 L HA 0.568 4.907 4.340 -0.001 0.000 0.258 508 L C -2.186 174.563 176.870 -0.202 0.000 0.926 508 L CA -0.416 54.033 54.840 -0.652 0.000 0.885 508 L CB 2.279 44.095 42.059 -0.404 0.000 1.380 508 L HN 0.340 nan 8.230 nan 0.000 0.415 509 M N 3.125 122.695 119.600 -0.050 0.000 2.421 509 M HA 0.747 5.226 4.480 -0.001 0.000 0.287 509 M C -1.089 175.243 176.300 0.053 0.000 1.183 509 M CA -0.239 55.101 55.300 0.068 0.000 0.916 509 M CB 2.503 35.215 32.600 0.187 0.000 1.701 509 M HN 0.790 nan 8.290 nan 0.000 0.470 510 G N 2.069 110.889 108.800 0.033 0.000 2.690 510 G HA2 0.740 4.699 3.960 -0.001 0.000 0.291 510 G HA3 0.740 4.699 3.960 -0.001 0.000 0.291 510 G C -2.184 172.735 174.900 0.032 0.000 1.403 510 G CA -0.598 44.521 45.100 0.031 0.000 0.864 510 G HN 0.643 nan 8.290 nan 0.000 0.480 511 V N 0.439 120.375 119.914 0.037 0.000 2.686 511 V HA 0.675 4.794 4.120 -0.001 0.000 0.306 511 V C -0.261 175.857 176.094 0.039 0.000 1.065 511 V CA -0.893 61.431 62.300 0.039 0.000 0.894 511 V CB 1.874 33.731 31.823 0.056 0.000 1.004 511 V HN 0.805 nan 8.190 nan 0.000 0.424 512 R N 3.022 123.541 120.500 0.033 0.000 2.621 512 R HA 0.709 5.048 4.340 -0.001 0.000 0.292 512 R C -1.875 174.448 176.300 0.037 0.000 0.969 512 R CA -0.793 55.327 56.100 0.033 0.000 0.887 512 R CB 2.145 32.454 30.300 0.015 0.000 1.180 512 R HN 0.656 nan 8.270 nan 0.000 0.450 513 I N 3.084 123.693 120.570 0.066 0.000 2.378 513 I HA 0.361 4.530 4.170 -0.001 0.000 0.291 513 I C -0.848 175.295 176.117 0.043 0.000 0.992 513 I CA 0.149 61.502 61.300 0.089 0.000 1.154 513 I CB 1.598 39.697 38.000 0.163 0.000 1.315 513 I HN 0.746 nan 8.210 nan 0.000 0.448 514 S N 3.315 118.949 115.700 -0.109 0.000 2.720 514 S HA 0.783 5.252 4.470 -0.001 0.000 0.287 514 S C -0.569 173.693 174.600 -0.562 0.000 1.168 514 S CA -0.496 57.438 58.200 -0.443 0.000 0.832 514 S CB 1.233 64.263 63.200 -0.284 0.000 1.166 514 S HN 0.828 nan 8.310 nan 0.000 0.493 515 S N 0.823 116.067 115.700 -0.760 0.000 3.432 515 S HA -0.074 4.395 4.470 -0.001 0.000 0.521 515 S C -0.278 174.160 174.600 -0.271 0.000 0.696 515 S CA 0.838 58.771 58.200 -0.445 0.000 1.382 515 S CB -1.951 61.130 63.200 -0.197 0.000 0.981 515 S HN 1.600 nan 8.310 nan 0.000 0.813 516 F N -1.055 118.897 119.950 0.003 0.000 2.959 516 F HA 0.342 4.869 4.527 -0.001 0.000 0.393 516 F C -1.510 174.293 175.800 0.004 0.000 0.957 516 F CA -0.591 57.412 58.000 0.004 0.000 1.049 516 F CB -1.551 37.453 39.000 0.006 0.000 1.189 516 F HN 0.374 nan 8.300 nan 0.000 0.563 517 P HA 0.173 nan 4.420 nan 0.000 0.286 517 P C -0.759 176.608 177.300 0.112 0.000 1.293 517 P CA -0.040 63.185 63.100 0.209 0.000 0.770 517 P CB 0.975 32.795 31.700 0.200 0.000 1.206 518 N N 0.666 119.410 118.700 0.072 0.000 2.746 518 N HA 0.079 4.818 4.740 -0.001 0.000 0.250 518 N C -0.744 174.788 175.510 0.037 0.000 1.146 518 N CA -0.157 52.920 53.050 0.046 0.000 0.828 518 N CB 0.354 38.861 38.487 0.033 0.000 1.158 518 N HN 0.164 nan 8.380 nan 0.000 0.519 519 E N 1.415 121.636 120.200 0.035 0.000 2.888 519 E HA 0.223 4.572 4.350 -0.001 0.000 0.271 519 E C 0.449 177.060 176.600 0.019 0.000 1.527 519 E CA 0.025 56.442 56.400 0.027 0.000 1.700 519 E CB -0.277 29.437 29.700 0.023 0.000 1.410 519 E HN 0.717 nan 8.360 nan 0.000 0.445 520 E N 0.000 120.211 120.200 0.018 0.000 2.725 520 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 520 E CA 0.000 nan 56.400 nan 0.000 0.976 520 E CB 0.000 nan 29.700 nan 0.000 0.812 520 E HN 0.000 nan 8.360 nan 0.000 0.440