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 2c9f_1_D DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XKKPVIKPLT EDSKKRSYNL ISNDSTFTQY DATA SEQUENCE RSWYLAYNYG DPQTGIRSWT LLCTPDVTCG SEQVYWSLPD MMQDPVTFRS DATA SEQUENCE TSQISNFPVV GAELLPVHSK SFYNDQAVYS QLIRQFTSLT HVFNRFPENQ DATA SEQUENCE ILARPPAPTI TTVSENVPAL TDHGTLPLRN SIGGVQRVTI TDARRRTCPY DATA SEQUENCE VYKALGIVSP RVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.008 119.665 118.700 -0.071 0.000 2.550 53 N HA 0.024 4.763 4.740 -0.001 0.000 0.277 53 N C -0.814 174.854 175.510 0.263 0.000 1.595 53 N CA 0.125 53.206 53.050 0.053 0.000 0.888 53 N CB 0.700 39.135 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.621 116.458 115.700 0.227 0.000 2.625 54 S HA 0.651 5.120 4.470 -0.001 0.000 0.258 54 S C 0.377 175.171 174.600 0.324 0.000 1.256 54 S CA -0.315 58.087 58.200 0.337 0.000 0.983 54 S CB 0.863 64.213 63.200 0.251 0.000 1.032 54 S HN 0.310 nan 8.310 nan 0.000 0.572 55 I N 0.588 121.291 120.570 0.222 0.000 2.606 55 I HA 0.272 4.442 4.170 -0.001 0.000 0.275 55 I C -0.695 175.448 176.117 0.044 0.000 1.220 55 I CA -0.263 61.039 61.300 0.004 0.000 1.098 55 I CB 1.429 39.400 38.000 -0.049 0.000 1.321 55 I HN 0.541 nan 8.210 nan 0.000 0.468 56 R N 3.836 124.356 120.500 0.033 0.000 2.598 56 R HA 0.665 5.004 4.340 -0.001 0.000 0.279 56 R C -1.485 174.875 176.300 0.099 0.000 0.984 56 R CA -0.725 55.412 56.100 0.062 0.000 0.999 56 R CB 2.311 32.642 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.081 121.354 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.737 4.550 -0.001 0.000 0.341 57 Y C 0.780 176.651 175.900 -0.049 0.000 1.021 57 Y CA -0.327 57.738 58.100 -0.060 0.000 1.025 57 Y CB 1.578 40.000 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.163 118.335 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.090 4.470 -0.001 0.000 0.538 58 S C 0.417 174.792 174.600 -0.375 0.000 0.935 58 S CA 2.276 60.038 58.200 -0.730 0.000 3.405 58 S CB -1.125 61.421 63.200 -1.090 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.013 121.024 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.963 4.350 -0.001 0.000 0.226 59 E C -1.143 175.434 176.600 -0.037 0.000 1.088 59 E CA -0.245 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.131 29.791 29.700 -0.066 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.100 122.326 121.223 0.005 0.000 2.479 60 L HA 0.638 4.977 4.340 -0.001 0.000 0.255 60 L C -0.181 176.711 176.870 0.037 0.000 1.026 60 L CA -1.223 53.657 54.840 0.066 0.000 0.842 60 L CB 1.871 44.036 42.059 0.177 0.000 1.444 60 L HN 0.399 nan 8.230 nan 0.000 0.409 61 A N 1.777 124.606 122.820 0.015 0.000 2.561 61 A HA 0.377 4.697 4.320 -0.001 0.000 0.234 61 A C -2.381 175.177 177.584 -0.043 0.000 1.055 61 A CA -0.377 51.647 52.037 -0.022 0.000 0.756 61 A CB -0.795 18.174 19.000 -0.052 0.000 0.986 61 A HN 0.367 nan 8.150 nan 0.000 0.505 62 P HA 0.397 nan 4.420 nan 0.000 0.275 62 P C -0.764 176.352 177.300 -0.306 0.000 1.228 62 P CA -0.019 63.054 63.100 -0.044 0.000 0.786 62 P CB 0.587 32.368 31.700 0.135 0.000 0.927 63 L N 2.666 123.775 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.001 0.000 0.271 63 L C -0.233 176.639 176.870 0.003 0.000 1.013 63 L CA -0.685 53.992 54.840 -0.273 0.000 0.816 63 L CB 1.039 43.042 42.059 -0.092 0.000 1.287 63 L HN 0.323 nan 8.230 nan 0.000 0.435 64 F N -0.092 119.896 119.950 0.063 0.000 2.563 64 F HA 0.357 4.883 4.527 -0.001 0.000 0.316 64 F C 0.389 176.257 175.800 0.113 0.000 1.076 64 F CA -0.848 57.211 58.000 0.098 0.000 0.921 64 F CB 1.950 40.994 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.354 120.281 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.001 0.000 0.166 65 D C 0.256 176.722 176.300 0.277 0.000 1.574 65 D CA 2.072 56.231 54.000 0.265 0.000 1.598 65 D CB -0.680 40.221 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.445 112.248 114.554 0.231 0.000 2.737 66 T HA 0.454 4.803 4.350 -0.001 0.000 0.312 66 T C -1.296 173.442 174.700 0.064 0.000 1.857 66 T CA 0.670 62.869 62.100 0.165 0.000 0.999 66 T CB 1.534 70.472 68.868 0.117 0.000 1.854 66 T HN 0.353 nan 8.240 nan 0.000 0.513 67 T N 0.541 115.098 114.554 0.004 0.000 2.686 67 T HA 0.544 4.893 4.350 -0.001 0.000 0.289 67 T C -2.038 172.589 174.700 -0.122 0.000 1.783 67 T CA -0.558 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.672 69.500 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.989 121.368 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.962 4.340 -0.001 0.000 0.284 68 R C -1.093 174.907 176.300 -0.500 0.000 1.031 68 R CA -0.807 55.058 56.100 -0.392 0.000 0.904 68 R CB 2.120 32.087 30.300 -0.556 0.000 1.199 68 R HN 0.644 nan 8.270 nan 0.000 0.443 69 V N -0.032 119.610 119.914 -0.454 0.000 2.483 69 V HA 0.617 4.737 4.120 -0.001 0.000 0.295 69 V C -1.029 174.846 176.094 -0.365 0.000 1.035 69 V CA -0.821 61.289 62.300 -0.316 0.000 0.896 69 V CB 1.163 32.869 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.988 124.251 120.300 -0.062 0.000 2.335 70 Y HA 0.679 5.228 4.550 -0.001 0.000 0.338 70 Y C -0.002 175.883 175.900 -0.025 0.000 0.977 70 Y CA -0.831 57.245 58.100 -0.041 0.000 1.114 70 Y CB 1.916 40.356 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.182 126.488 121.223 0.138 0.000 2.262 71 L HA 0.662 5.001 4.340 -0.001 0.000 0.288 71 L C -0.689 176.286 176.870 0.174 0.000 1.035 71 L CA -0.781 54.125 54.840 0.109 0.000 0.820 71 L CB 1.052 43.140 42.059 0.048 0.000 1.204 71 L HN 0.449 nan 8.230 nan 0.000 0.424 72 V N 3.037 123.065 119.914 0.190 0.000 2.851 72 V HA 0.280 4.399 4.120 -0.001 0.000 0.307 72 V C -0.118 176.074 176.094 0.164 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.170 34.024 31.823 0.051 0.000 1.024 72 V HN 0.803 nan 8.190 nan 0.000 0.426 73 D N 3.670 124.057 120.400 -0.021 0.000 2.103 73 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 73 D C 1.304 177.497 176.300 -0.177 0.000 0.978 73 D CA 1.826 55.649 54.000 -0.295 0.000 0.829 73 D CB -0.508 39.677 40.800 -1.025 0.000 0.981 73 D HN 0.742 nan 8.370 nan 0.000 0.464 74 N N 0.866 119.456 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.559 4.740 -0.001 0.000 0.198 74 N C 0.021 175.507 175.510 -0.040 0.000 1.017 74 N CA 1.097 54.084 53.050 -0.105 0.000 0.880 74 N CB -0.391 38.038 38.487 -0.096 0.000 1.042 74 N HN 0.180 nan 8.380 nan 0.000 0.446 75 K N 1.295 121.681 120.400 -0.022 0.000 2.490 75 K HA -0.149 4.171 4.320 -0.001 0.000 0.264 75 K C 0.767 177.374 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.215 32.727 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.981 117.688 115.700 0.011 0.000 2.368 76 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 76 S C 2.182 176.800 174.600 0.030 0.000 1.030 76 S CA 1.924 60.135 58.200 0.020 0.000 0.999 76 S CB -0.291 62.918 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.389 116.960 114.554 0.030 0.000 2.643 77 T HA -0.214 4.135 4.350 -0.001 0.000 0.264 77 T C 1.664 176.391 174.700 0.045 0.000 1.045 77 T CA 1.629 63.751 62.100 0.035 0.000 1.155 77 T CB -0.984 67.906 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.717 122.148 120.400 0.053 0.000 2.144 78 D HA -0.098 4.541 4.640 -0.001 0.000 0.199 78 D C 2.199 178.549 176.300 0.083 0.000 0.984 78 D CA 0.962 55.003 54.000 0.068 0.000 0.834 78 D CB -1.067 39.780 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.544 121.505 119.914 0.077 0.000 2.287 79 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 79 V C 2.886 179.049 176.094 0.116 0.000 1.053 79 V CA 2.085 64.440 62.300 0.092 0.000 1.027 79 V CB -1.129 30.734 31.823 0.068 0.000 0.646 79 V HN 0.435 nan 8.190 nan 0.000 0.447 80 A N 0.687 123.559 122.820 0.086 0.000 1.842 80 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 80 A C 2.443 180.058 177.584 0.053 0.000 1.206 80 A CA 3.174 55.257 52.037 0.076 0.000 0.630 80 A CB -1.058 17.968 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.252 115.973 115.700 0.035 0.000 2.365 81 S HA 0.023 4.492 4.470 -0.001 0.000 0.194 81 S C 1.731 176.356 174.600 0.041 0.000 1.093 81 S CA 0.922 59.129 58.200 0.011 0.000 1.224 81 S CB -1.358 61.852 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.322 123.582 121.223 0.062 0.000 2.158 82 L HA -0.224 4.115 4.340 -0.001 0.000 0.249 82 L C 1.069 178.016 176.870 0.128 0.000 1.097 82 L CA 1.590 56.481 54.840 0.086 0.000 0.844 82 L CB -1.613 40.502 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.925 117.870 118.700 0.159 0.000 2.381 83 N HA -0.001 4.738 4.740 -0.001 0.000 0.241 83 N C 0.044 175.703 175.510 0.248 0.000 1.279 83 N CA 0.452 53.614 53.050 0.187 0.000 0.896 83 N CB 1.339 39.940 38.487 0.191 0.000 1.118 83 N HN 0.495 nan 8.380 nan 0.000 0.438 84 Y N -0.413 119.914 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.528 4.550 -0.001 0.000 0.142 84 Y C 0.597 176.505 175.900 0.013 0.000 0.999 84 Y CA 0.088 58.202 58.100 0.024 0.000 1.833 84 Y CB -0.091 38.382 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.998 121.872 119.800 0.124 0.000 2.373 85 Q HA 0.168 4.507 4.340 -0.001 0.000 0.206 85 Q C -0.303 175.699 176.000 0.003 0.000 0.942 85 Q CA 0.166 55.975 55.803 0.009 0.000 0.953 85 Q CB 0.043 28.839 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.300 120.019 118.700 0.032 0.000 2.604 86 N HA 0.284 5.023 4.740 -0.001 0.000 0.297 86 N C -0.632 174.878 175.510 -0.000 0.000 1.266 86 N CA -0.183 52.897 53.050 0.050 0.000 0.961 86 N CB 1.095 39.663 38.487 0.136 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.279 117.139 120.400 0.030 0.000 2.626 87 D HA 0.147 4.787 4.640 -0.001 0.000 0.278 87 D C -0.982 175.361 176.300 0.072 0.000 1.211 87 D CA -0.571 53.398 54.000 -0.052 0.000 0.903 87 D CB 0.201 40.921 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.163 118.828 119.070 -0.132 0.000 4.757 88 H HA 0.300 4.855 4.556 -0.001 0.000 0.167 88 H C -0.033 175.296 175.328 0.003 0.000 1.205 88 H CA 0.128 56.061 56.048 -0.191 0.000 1.354 88 H CB 0.009 29.632 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.180 117.043 115.700 0.272 0.000 2.474 89 S HA -0.047 4.422 4.470 -0.001 0.000 0.223 89 S C -0.603 174.105 174.600 0.180 0.000 0.880 89 S CA -0.483 57.813 58.200 0.160 0.000 1.579 89 S CB 0.195 63.409 63.200 0.023 0.000 1.264 89 S HN 0.548 nan 8.310 nan 0.000 0.616 90 N N 1.115 120.000 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.001 0.000 0.219 90 N C -1.046 174.648 175.510 0.308 0.000 1.434 90 N CA -0.283 52.890 53.050 0.205 0.000 0.767 90 N CB 0.130 38.693 38.487 0.127 0.000 1.564 90 N HN 0.388 nan 8.380 nan 0.000 0.612 91 F N 0.297 120.281 119.950 0.056 0.000 2.664 91 F HA 0.745 5.272 4.527 -0.001 0.000 0.317 91 F C -1.341 174.485 175.800 0.044 0.000 1.108 91 F CA -1.120 56.914 58.000 0.057 0.000 0.957 91 F CB 1.316 40.357 39.000 0.067 0.000 1.365 91 F HN -0.055 nan 8.300 nan 0.000 0.475 92 L N 0.916 122.255 121.223 0.195 0.000 2.332 92 L HA 0.838 5.177 4.340 -0.001 0.000 0.269 92 L C -0.379 176.592 176.870 0.167 0.000 1.016 92 L CA -0.863 54.009 54.840 0.053 0.000 0.809 92 L CB 2.082 44.182 42.059 0.069 0.000 1.280 92 L HN 0.937 nan 8.230 nan 0.000 0.447 93 T N -0.439 114.158 114.554 0.072 0.000 2.957 93 T HA 0.353 4.702 4.350 -0.001 0.000 0.336 93 T C -0.893 173.836 174.700 0.049 0.000 1.462 93 T CA -0.511 61.660 62.100 0.118 0.000 1.073 93 T CB 1.556 70.535 68.868 0.185 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.276 115.861 114.554 0.051 0.000 2.845 94 T HA 0.522 4.871 4.350 -0.001 0.000 0.288 94 T C 1.183 175.892 174.700 0.016 0.000 0.980 94 T CA -0.588 61.526 62.100 0.024 0.000 1.071 94 T CB 1.231 70.117 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.200 123.107 119.914 -0.012 0.000 3.506 95 V HA 0.009 4.128 4.120 -0.001 0.000 0.263 95 V C 2.334 178.397 176.094 -0.051 0.000 1.203 95 V CA 0.029 62.316 62.300 -0.022 0.000 1.133 95 V CB -0.817 30.974 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.166 120.699 120.570 -0.062 0.000 2.087 96 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 96 I C 1.794 177.846 176.117 -0.110 0.000 1.054 96 I CA 1.447 62.679 61.300 -0.113 0.000 1.311 96 I CB -0.974 36.997 38.000 -0.048 0.000 1.024 96 I HN 0.420 nan 8.210 nan 0.000 0.402 97 Q N -0.142 119.639 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.084 4.340 -0.001 0.000 0.248 97 Q C 0.250 176.245 176.000 -0.008 0.000 0.874 97 Q CA 0.854 56.647 55.803 -0.018 0.000 1.208 97 Q CB -2.732 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.817 nan 8.270 nan 0.000 0.579 98 N N 0.617 119.334 118.700 0.028 0.000 2.444 98 N HA 0.144 4.883 4.740 -0.001 0.000 0.262 98 N C 1.186 176.780 175.510 0.140 0.000 0.974 98 N CA -0.111 53.002 53.050 0.104 0.000 0.933 98 N CB 0.540 39.158 38.487 0.219 0.000 1.137 98 N HN 0.101 nan 8.380 nan 0.000 0.498 99 N N 3.648 122.402 118.700 0.090 0.000 2.133 99 N HA -0.195 4.545 4.740 -0.001 0.000 0.193 99 N C -0.325 175.224 175.510 0.065 0.000 1.012 99 N CA 1.511 54.599 53.050 0.063 0.000 0.871 99 N CB -0.023 38.484 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.591 119.851 120.400 0.071 0.000 2.398 100 D HA 0.073 4.713 4.640 -0.001 0.000 0.264 100 D C -0.080 176.264 176.300 0.073 0.000 1.263 100 D CA 0.053 54.016 54.000 -0.061 0.000 1.037 100 D CB -0.012 40.596 40.800 -0.321 0.000 1.101 100 D HN 0.212 nan 8.370 nan 0.000 0.551 101 Y N -1.062 119.256 120.300 0.030 0.000 2.600 101 Y HA -0.230 4.319 4.550 -0.001 0.000 0.035 101 Y C 0.491 176.407 175.900 0.027 0.000 1.792 101 Y CA -0.378 57.741 58.100 0.032 0.000 1.349 101 Y CB -1.324 37.167 38.460 0.052 0.000 1.999 101 Y HN 0.168 nan 8.280 nan 0.000 0.269 102 S N 4.992 120.790 115.700 0.164 0.000 2.533 102 S HA 0.371 4.840 4.470 -0.001 0.000 0.282 102 S C -2.097 172.565 174.600 0.104 0.000 1.304 102 S CA -1.224 57.036 58.200 0.100 0.000 1.063 102 S CB 1.191 64.431 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.155 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.589 177.300 0.054 0.000 1.211 103 P CA 1.128 64.266 63.100 0.064 0.000 0.781 103 P CB 0.062 31.794 31.700 0.053 0.000 0.877 104 G N 1.770 110.596 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.549 45.669 45.100 0.034 0.000 0.905 104 G HN 0.612 nan 8.290 nan 0.000 0.589 105 E N 1.772 122.006 120.200 0.056 0.000 2.265 105 E HA 0.202 4.551 4.350 -0.001 0.000 0.196 105 E C 2.639 179.267 176.600 0.046 0.000 0.996 105 E CA 1.728 58.169 56.400 0.068 0.000 0.832 105 E CB -0.345 29.427 29.700 0.121 0.000 0.756 105 E HN 0.896 nan 8.360 nan 0.000 0.491 106 A N 0.777 123.625 122.820 0.047 0.000 1.873 106 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 106 A C 2.335 179.912 177.584 -0.013 0.000 1.186 106 A CA 1.555 53.594 52.037 0.003 0.000 0.616 106 A CB -0.989 18.032 19.000 0.035 0.000 0.823 106 A HN 0.383 nan 8.150 nan 0.000 0.442 107 S N -0.416 115.287 115.700 0.005 0.000 2.428 107 S HA -0.229 4.240 4.470 -0.001 0.000 0.240 107 S C 1.870 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.517 60.716 58.200 -0.001 0.000 1.009 107 S CB -0.831 62.373 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.757 116.301 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.343 4.350 -0.001 0.000 0.265 108 T C 1.031 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.912 62.998 62.100 -0.024 0.000 1.144 108 T CB -0.276 68.579 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.263 121.025 119.800 -0.064 0.000 2.700 109 Q HA 0.312 4.651 4.340 -0.001 0.000 0.232 109 Q C 0.108 176.106 176.000 -0.003 0.000 1.110 109 Q CA 0.272 56.038 55.803 -0.062 0.000 1.026 109 Q CB 0.392 29.090 28.738 -0.067 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.711 111.862 114.554 0.032 0.000 2.942 110 T HA 0.541 4.890 4.350 -0.001 0.000 0.327 110 T C -0.746 174.005 174.700 0.086 0.000 1.360 110 T CA -0.818 61.301 62.100 0.032 0.000 1.055 110 T CB 0.554 69.416 68.868 -0.010 0.000 1.261 110 T HN 0.407 nan 8.240 nan 0.000 0.485 111 I N 3.065 123.650 120.570 0.024 0.000 2.325 111 I HA 0.314 4.483 4.170 -0.001 0.000 0.291 111 I C -0.238 175.838 176.117 -0.068 0.000 1.019 111 I CA -0.863 60.434 61.300 -0.005 0.000 1.302 111 I CB 0.744 38.686 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.339 127.000 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.159 4.740 -0.001 0.000 0.262 112 N C -0.760 174.627 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.508 53.050 -0.107 0.000 0.933 112 N CB 2.194 40.651 38.487 -0.049 0.000 1.137 112 N HN 0.421 nan 8.380 nan 0.000 0.498 113 L N 1.119 122.126 121.223 -0.360 0.000 2.276 113 L HA 0.185 4.524 4.340 -0.001 0.000 0.286 113 L C 0.849 177.584 176.870 -0.224 0.000 1.061 113 L CA -0.837 53.555 54.840 -0.747 0.000 0.807 113 L CB 0.582 41.680 42.059 -1.601 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.429 122.896 120.400 0.110 0.000 2.973 114 D HA -0.222 4.417 4.640 -0.001 0.000 0.214 114 D C 0.805 177.299 176.300 0.324 0.000 1.079 114 D CA 0.602 54.778 54.000 0.293 0.000 0.797 114 D CB 0.724 41.760 40.800 0.393 0.000 1.168 114 D HN 0.579 nan 8.370 nan 0.000 0.515 115 D N 3.256 123.746 120.400 0.150 0.000 2.149 115 D HA -0.097 4.542 4.640 -0.001 0.000 0.201 115 D C 1.538 177.868 176.300 0.051 0.000 0.972 115 D CA 0.658 54.717 54.000 0.098 0.000 0.835 115 D CB 0.186 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.070 120.447 120.500 0.029 0.000 2.377 116 R HA 0.047 4.387 4.340 -0.001 0.000 0.207 116 R C 0.382 176.607 176.300 -0.125 0.000 1.075 116 R CA 0.313 56.385 56.100 -0.047 0.000 1.035 116 R CB 0.085 30.360 30.300 -0.041 0.000 0.857 116 R HN -0.024 nan 8.270 nan 0.000 0.475 117 S N -0.304 115.329 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.789 4.470 -0.001 0.000 0.286 117 S C -0.961 173.488 174.600 -0.253 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.279 0.000 0.913 117 S CB 1.949 64.890 63.200 -0.432 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.656 119.658 119.070 -0.113 0.000 2.668 118 H HA 0.255 4.810 4.556 -0.001 0.000 0.303 118 H C -0.920 174.368 175.328 -0.066 0.000 1.074 118 H CA -0.254 55.793 56.048 -0.001 0.000 1.406 118 H CB 0.325 30.083 29.762 -0.007 0.000 1.442 118 H HN 0.527 nan 8.280 nan 0.000 0.482 119 W N 1.591 122.952 121.300 0.102 0.000 2.390 119 W HA 0.544 5.204 4.660 -0.001 0.000 0.362 119 W C 0.656 177.195 176.519 0.033 0.000 1.206 119 W CA -0.387 56.986 57.345 0.047 0.000 1.355 119 W CB 1.188 30.661 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.788 108.190 108.800 0.297 0.000 2.692 120 G HA2 0.631 4.590 3.960 -0.001 0.000 0.291 120 G HA3 0.631 4.590 3.960 -0.001 0.000 0.291 120 G C -1.549 173.434 174.900 0.138 0.000 1.423 120 G CA -0.642 44.550 45.100 0.153 0.000 0.843 120 G HN 0.723 nan 8.290 nan 0.000 0.486 121 G N -0.227 108.611 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.523 3.960 -0.001 0.000 0.300 121 G HA3 0.564 4.523 3.960 -0.001 0.000 0.300 121 G C -1.326 173.571 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.472 45.100 0.029 0.000 0.990 121 G HN 0.432 nan 8.290 nan 0.000 0.501 122 D N 0.516 120.909 120.400 -0.013 0.000 2.350 122 D HA 0.252 4.891 4.640 -0.001 0.000 0.249 122 D C -0.537 175.734 176.300 -0.048 0.000 1.119 122 D CA 0.103 54.089 54.000 -0.024 0.000 0.886 122 D CB 2.730 43.516 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.819 124.015 121.223 -0.045 0.000 2.388 123 L HA 0.235 4.575 4.340 -0.001 0.000 0.267 123 L C -0.647 176.194 176.870 -0.049 0.000 0.995 123 L CA -0.564 54.230 54.840 -0.077 0.000 0.864 123 L CB 0.684 42.669 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.601 122.957 120.400 -0.072 0.000 2.156 124 K HA 0.847 5.167 4.320 -0.001 0.000 0.254 124 K C -0.453 176.088 176.600 -0.097 0.000 0.950 124 K CA -0.672 55.570 56.287 -0.075 0.000 0.849 124 K CB 1.748 34.211 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.585 112.910 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.001 0.000 0.293 125 T C -0.312 174.424 174.700 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.527 68.868 -0.412 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.135 122.789 120.570 0.141 0.000 2.420 126 I HA 0.428 4.597 4.170 -0.001 0.000 0.282 126 I C -1.227 175.047 176.117 0.262 0.000 1.019 126 I CA -0.895 60.500 61.300 0.158 0.000 1.130 126 I CB 1.544 39.598 38.000 0.090 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.057 128.462 121.223 0.304 0.000 2.329 127 L HA 0.549 4.888 4.340 -0.001 0.000 0.279 127 L C -0.968 176.071 176.870 0.283 0.000 1.014 127 L CA -0.070 54.960 54.840 0.316 0.000 0.814 127 L CB 1.359 43.641 42.059 0.372 0.000 1.257 127 L HN 0.528 nan 8.230 nan 0.000 0.424 128 H N 2.943 122.085 119.070 0.121 0.000 3.017 128 H HA 0.476 5.031 4.556 -0.001 0.000 0.340 128 H C -1.048 174.383 175.328 0.172 0.000 1.014 128 H CA -0.131 55.999 56.048 0.136 0.000 1.341 128 H CB 1.427 31.283 29.762 0.157 0.000 1.739 128 H HN 0.845 nan 8.280 nan 0.000 0.506 129 T N 1.012 115.565 114.554 -0.002 0.000 2.780 129 T HA 0.333 4.682 4.350 -0.001 0.000 0.263 129 T C 0.226 174.822 174.700 -0.172 0.000 0.993 129 T CA -0.654 61.425 62.100 -0.035 0.000 1.010 129 T CB 1.078 69.996 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.169 117.538 118.700 0.012 0.000 3.444 130 N HA 0.055 4.794 4.740 -0.001 0.000 0.148 130 N C -0.799 174.796 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.258 38.203 38.487 -0.043 0.000 1.507 130 N HN 0.611 nan 8.380 nan 0.000 0.732 131 M N 1.379 121.013 119.600 0.056 0.000 2.216 131 M HA 0.470 4.949 4.480 -0.001 0.000 0.356 131 M C -2.666 173.547 176.300 -0.145 0.000 1.205 131 M CA -1.119 54.023 55.300 -0.264 0.000 1.122 131 M CB 0.998 33.361 32.600 -0.396 0.000 1.571 131 M HN -0.015 nan 8.290 nan 0.000 0.464 132 P HA 0.143 nan 4.420 nan 0.000 0.275 132 P C -0.213 176.856 177.300 -0.385 0.000 1.227 132 P CA 0.018 63.044 63.100 -0.122 0.000 0.781 132 P CB 0.500 32.149 31.700 -0.086 0.000 0.906 133 N N 1.786 120.014 118.700 -0.787 0.000 2.036 133 N HA -0.151 4.588 4.740 -0.001 0.000 0.199 133 N C -0.340 174.927 175.510 -0.406 0.000 1.036 133 N CA 1.070 53.760 53.050 -0.600 0.000 0.870 133 N CB 0.048 37.967 38.487 -0.946 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.839 121.486 119.914 -0.444 0.000 2.313 134 V HA 0.316 4.435 4.120 -0.001 0.000 0.278 134 V C -0.713 175.298 176.094 -0.138 0.000 1.017 134 V CA -0.783 61.379 62.300 -0.230 0.000 0.823 134 V CB 0.815 32.526 31.823 -0.187 0.000 1.010 134 V HN 0.483 nan 8.190 nan 0.000 0.443 135 N N 2.319 120.975 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.024 4.740 -0.001 0.000 0.264 135 N C 0.498 176.069 175.510 0.102 0.000 1.415 135 N CA -0.881 52.184 53.050 0.026 0.000 0.815 135 N CB 1.637 40.141 38.487 0.028 0.000 1.514 135 N HN 0.347 nan 8.380 nan 0.000 0.523 136 E N -0.516 119.789 120.200 0.175 0.000 2.072 136 E HA -0.113 4.237 4.350 -0.001 0.000 0.190 136 E C 1.100 177.862 176.600 0.269 0.000 0.982 136 E CA 0.754 57.286 56.400 0.220 0.000 0.803 136 E CB -0.185 29.635 29.700 0.199 0.000 0.755 136 E HN 0.509 nan 8.360 nan 0.000 0.453 137 F N 0.747 120.755 119.950 0.097 0.000 2.171 137 F HA -0.118 4.409 4.527 -0.001 0.000 0.300 137 F C 1.839 177.480 175.800 -0.265 0.000 1.090 137 F CA 1.150 59.139 58.000 -0.018 0.000 1.293 137 F CB 0.029 39.087 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.482 118.866 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.574 4.480 -0.001 0.000 0.245 138 M C 0.130 176.260 176.300 -0.284 0.000 1.128 138 M CA 0.323 55.267 55.300 -0.593 0.000 1.069 138 M CB -1.426 30.983 32.600 -0.318 0.000 1.469 138 M HN 0.356 nan 8.290 nan 0.000 0.494 139 F N 0.773 120.656 119.950 -0.112 0.000 2.950 139 F HA -0.245 4.281 4.527 -0.001 0.000 0.334 139 F C 0.640 176.427 175.800 -0.021 0.000 0.979 139 F CA 0.333 58.306 58.000 -0.044 0.000 1.140 139 F CB -2.262 36.711 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.063 110.583 114.554 0.152 0.000 3.209 140 T HA 0.093 4.442 4.350 -0.001 0.000 0.295 140 T C 0.905 175.645 174.700 0.066 0.000 0.977 140 T CA 0.331 62.470 62.100 0.064 0.000 0.922 140 T CB 0.059 68.908 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.809 119.580 118.700 0.117 0.000 2.184 141 N HA 0.209 4.949 4.740 -0.001 0.000 0.206 141 N C -0.023 175.590 175.510 0.171 0.000 1.151 141 N CA -0.429 52.693 53.050 0.120 0.000 0.878 141 N CB 0.542 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.139 120.656 120.400 0.194 0.000 2.433 142 K HA 0.557 4.876 4.320 -0.001 0.000 0.252 142 K C -1.552 175.249 176.600 0.334 0.000 1.015 142 K CA -0.856 55.548 56.287 0.195 0.000 0.860 142 K CB 2.248 34.790 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.410 118.570 119.950 0.050 0.000 2.637 143 F HA 0.325 4.851 4.527 -0.001 0.000 0.316 143 F C -1.722 174.091 175.800 0.022 0.000 1.023 143 F CA -1.095 56.896 58.000 -0.015 0.000 1.071 143 F CB 0.599 39.582 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.195 123.530 120.400 -0.108 0.000 2.174 144 K HA 0.872 5.192 4.320 -0.001 0.000 0.275 144 K C -0.522 176.146 176.600 0.113 0.000 1.015 144 K CA -0.434 55.777 56.287 -0.127 0.000 0.933 144 K CB 1.711 34.130 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.546 125.527 122.820 0.268 0.000 2.594 145 A HA 0.510 4.829 4.320 -0.001 0.000 0.295 145 A C -1.397 176.354 177.584 0.279 0.000 1.071 145 A CA -0.787 51.507 52.037 0.427 0.000 0.685 145 A CB 1.501 20.827 19.000 0.544 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.782 121.227 120.500 -0.092 0.000 2.295 146 R HA 0.623 4.962 4.340 -0.001 0.000 0.324 146 R C -0.575 175.618 176.300 -0.178 0.000 0.968 146 R CA -0.296 55.528 56.100 -0.459 0.000 0.837 146 R CB 1.090 30.584 30.300 -1.343 0.000 1.133 146 R HN 0.974 nan 8.270 nan 0.000 0.450 147 V N 1.238 121.124 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.692 4.120 -0.001 0.000 0.315 147 V C -0.085 176.109 176.094 0.167 0.000 1.148 147 V CA -1.335 61.011 62.300 0.077 0.000 1.042 147 V CB 1.892 33.764 31.823 0.082 0.000 1.101 147 V HN 0.819 nan 8.190 nan 0.000 0.448 148 M N 1.210 120.907 119.600 0.161 0.000 2.185 148 M HA 0.400 4.880 4.480 -0.001 0.000 0.357 148 M C 0.015 176.325 176.300 0.017 0.000 1.260 148 M CA -0.090 55.166 55.300 -0.073 0.000 1.124 148 M CB 1.543 34.022 32.600 -0.203 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.173 122.053 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.253 4.120 -0.001 0.000 0.240 149 V C 0.463 176.536 176.094 -0.036 0.000 1.078 149 V CA 0.982 63.295 62.300 0.023 0.000 1.102 149 V CB 0.572 32.410 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.380 116.018 115.700 -0.104 0.000 2.541 150 S HA 0.742 5.211 4.470 -0.001 0.000 0.280 150 S C -0.871 173.654 174.600 -0.125 0.000 1.112 150 S CA -0.741 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.746 65.904 63.200 -0.070 0.000 1.067 150 S HN 0.333 nan 8.310 nan 0.000 0.479 151 R N 1.562 122.011 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.008 4.340 -0.001 0.000 0.318 151 R C -0.740 175.528 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.262 31.531 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.311 118.981 115.700 -0.049 0.000 2.632 152 S HA 0.509 4.979 4.470 -0.001 0.000 0.289 152 S C -1.297 173.286 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.657 64.836 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.131 123.341 121.223 -0.022 0.000 2.255 153 L HA 0.660 5.000 4.340 -0.001 0.000 0.289 153 L C -0.548 176.313 176.870 -0.015 0.000 1.046 153 L CA 0.658 55.488 54.840 -0.017 0.000 0.816 153 L CB 0.506 42.556 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.292 117.838 114.554 -0.012 0.000 2.916 154 T HA 0.344 4.693 4.350 -0.001 0.000 0.292 154 T C -0.506 174.190 174.700 -0.007 0.000 1.064 154 T CA -0.986 61.108 62.100 -0.010 0.000 1.011 154 T CB 1.770 70.631 68.868 -0.010 0.000 1.152 154 T HN 0.439 nan 8.240 nan 0.000 0.510 155 K N 2.644 123.041 120.400 -0.006 0.000 3.679 155 K HA -0.305 4.014 4.320 -0.001 0.000 0.274 155 K C 0.036 176.634 176.600 -0.004 0.000 0.839 155 K CA 0.764 57.049 56.287 -0.004 0.000 0.663 155 K CB -1.152 31.347 32.500 -0.002 0.000 1.638 155 K HN 0.784 nan 8.250 nan 0.000 0.443 156 D N -1.470 118.927 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.387 4.640 -0.001 0.000 0.207 156 D C 0.859 177.157 176.300 -0.004 0.000 1.219 156 D CA 2.313 56.310 54.000 -0.004 0.000 2.366 156 D CB -0.672 40.126 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.534 120.932 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.001 0.000 0.202 157 K C 0.417 177.015 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.784 33.283 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.769 121.567 119.800 -0.003 0.000 2.352 158 Q HA 0.115 4.454 4.340 -0.001 0.000 0.260 158 Q C -0.176 175.821 176.000 -0.006 0.000 0.976 158 Q CA -0.262 55.540 55.803 -0.002 0.000 0.881 158 Q CB 1.308 30.046 28.738 -0.001 0.000 1.235 158 Q HN -0.015 nan 8.270 nan 0.000 0.419 159 V N -0.364 119.547 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.468 4.120 -0.001 0.000 0.275 159 V C -0.363 175.723 176.094 -0.012 0.000 1.022 159 V CA -0.674 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.059 32.877 31.823 -0.008 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.076 125.263 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.001 0.000 0.281 160 E C -1.073 175.495 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.801 56.400 -0.024 0.000 0.796 160 E CB 1.186 30.874 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.117 126.305 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.750 4.340 -0.001 0.000 0.289 161 L C -0.066 176.706 176.870 -0.163 0.000 1.032 161 L CA -0.740 54.005 54.840 -0.158 0.000 0.810 161 L CB 0.983 42.964 42.059 -0.130 0.000 1.205 161 L HN 0.259 nan 8.230 nan 0.000 0.422 162 K N 4.182 124.431 120.400 -0.252 0.000 2.394 162 K HA 0.459 4.778 4.320 -0.001 0.000 0.260 162 K C -1.176 175.279 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.143 0.000 0.855 162 K CB 1.839 34.295 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.433 120.702 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.995 4.550 -0.001 0.000 0.337 163 Y C 0.522 176.358 175.900 -0.107 0.000 1.076 163 Y CA -0.633 57.412 58.100 -0.092 0.000 1.115 163 Y CB 2.116 40.486 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.967 121.188 120.200 0.034 0.000 2.392 164 E HA 0.312 4.661 4.350 -0.001 0.000 0.279 164 E C -2.029 174.519 176.600 -0.087 0.000 0.964 164 E CA -0.791 55.600 56.400 -0.014 0.000 0.777 164 E CB 1.356 31.087 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.202 123.492 121.300 -0.016 0.000 2.313 165 W HA 0.533 5.193 4.660 -0.001 0.000 0.328 165 W C -0.322 176.095 176.519 -0.170 0.000 1.197 165 W CA -0.210 57.087 57.345 -0.081 0.000 1.235 165 W CB 1.483 30.900 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.466 122.355 119.914 -0.041 0.000 3.077 166 V HA 0.322 4.441 4.120 -0.001 0.000 0.299 166 V C -1.337 174.302 176.094 -0.758 0.000 1.276 166 V CA -0.990 61.092 62.300 -0.365 0.000 0.993 166 V CB 1.967 33.509 31.823 -0.469 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.909 124.730 120.200 -0.631 0.000 2.081 167 E HA 0.500 4.850 4.350 -0.001 0.000 0.276 167 E C -1.513 174.689 176.600 -0.663 0.000 0.950 167 E CA -0.537 55.491 56.400 -0.620 0.000 0.776 167 E CB 0.756 30.281 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.933 121.643 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.889 4.527 -0.001 0.000 0.331 168 F C 0.955 176.653 175.800 -0.169 0.000 1.090 168 F CA -0.794 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.402 40.194 39.000 -0.348 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.344 114.991 114.554 0.155 0.000 2.932 169 T HA 0.829 5.178 4.350 -0.001 0.000 0.289 169 T C -0.819 173.985 174.700 0.174 0.000 1.039 169 T CA -0.895 61.293 62.100 0.148 0.000 1.024 169 T CB 1.376 70.299 68.868 0.092 0.000 1.090 169 T HN 0.556 nan 8.240 nan 0.000 0.496 170 L N 1.777 123.094 121.223 0.157 0.000 2.322 170 L HA 0.597 4.937 4.340 -0.001 0.000 0.269 170 L C -2.153 174.771 176.870 0.091 0.000 1.012 170 L CA -2.715 52.200 54.840 0.127 0.000 0.815 170 L CB 2.224 44.348 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.144 nan 4.420 nan 0.000 0.280 171 P C -0.552 176.779 177.300 0.052 0.000 1.386 171 P CA -0.388 62.752 63.100 0.067 0.000 0.899 171 P CB 0.494 32.235 31.700 0.068 0.000 1.098 172 E N 1.818 122.050 120.200 0.054 0.000 2.864 172 E HA -0.029 4.320 4.350 -0.001 0.000 0.285 172 E C 1.318 177.937 176.600 0.032 0.000 0.965 172 E CA 1.729 58.154 56.400 0.041 0.000 0.985 172 E CB -0.086 29.661 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.080 111.861 108.800 -0.031 0.000 4.731 173 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.266 173 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.266 173 G C -0.253 174.565 174.900 -0.137 0.000 1.635 173 G CA -0.061 45.050 45.100 0.019 0.000 1.229 173 G HN 0.829 nan 8.290 nan 0.000 0.663 174 N N 2.116 120.846 118.700 0.050 0.000 2.972 174 N HA -0.009 4.730 4.740 -0.001 0.000 0.295 174 N C 0.353 175.851 175.510 -0.020 0.000 1.162 174 N CA 1.360 54.451 53.050 0.069 0.000 0.895 174 N CB -1.087 37.413 38.487 0.022 0.000 1.022 174 N HN 0.700 nan 8.380 nan 0.000 0.610 175 Y N 1.032 121.306 120.300 -0.044 0.000 2.360 175 Y HA 0.172 4.722 4.550 -0.001 0.000 0.433 175 Y C 1.632 177.489 175.900 -0.072 0.000 1.305 175 Y CA 0.050 58.119 58.100 -0.052 0.000 1.980 175 Y CB -0.576 37.860 38.460 -0.039 0.000 1.700 175 Y HN 0.683 nan 8.280 nan 0.000 0.700 176 S N -0.585 115.189 115.700 0.124 0.000 3.339 176 S HA -0.187 4.282 4.470 -0.001 0.000 0.856 176 S C 0.811 175.381 174.600 -0.051 0.000 1.139 176 S CA 0.465 58.677 58.200 0.019 0.000 1.044 176 S CB -0.480 62.706 63.200 -0.023 0.000 0.721 176 S HN 0.786 nan 8.310 nan 0.000 0.267 177 E N 2.836 122.996 120.200 -0.067 0.000 2.021 177 E HA -0.080 4.270 4.350 -0.001 0.000 0.189 177 E C 1.820 178.331 176.600 -0.148 0.000 0.980 177 E CA 1.281 57.610 56.400 -0.117 0.000 0.803 177 E CB -1.047 28.583 29.700 -0.117 0.000 0.766 177 E HN 0.726 nan 8.360 nan 0.000 0.449 178 T N 1.883 116.356 114.554 -0.135 0.000 2.597 178 T HA -0.280 4.069 4.350 -0.001 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.115 64.121 62.100 -0.156 0.000 1.165 178 T CB -0.391 68.393 68.868 -0.140 0.000 0.863 178 T HN 0.218 nan 8.240 nan 0.000 0.427 179 M N 0.756 120.239 119.600 -0.195 0.000 2.202 179 M HA -0.171 4.308 4.480 -0.001 0.000 0.262 179 M C 2.115 178.282 176.300 -0.222 0.000 1.063 179 M CA 1.532 56.681 55.300 -0.252 0.000 1.097 179 M CB -0.476 32.003 32.600 -0.201 0.000 1.382 179 M HN 0.231 nan 8.290 nan 0.000 0.413 180 T N 1.068 115.512 114.554 -0.183 0.000 2.788 180 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.571 63.558 62.100 -0.188 0.000 1.139 180 T CB -0.367 68.381 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.427 121.846 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.950 4.170 -0.001 0.000 0.239 181 I C 2.333 178.336 176.117 -0.190 0.000 1.066 181 I CA 1.528 62.662 61.300 -0.276 0.000 1.324 181 I CB -0.519 37.362 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.082 121.375 120.400 -0.177 0.000 2.157 182 D HA -0.224 4.416 4.640 -0.001 0.000 0.191 182 D C 2.182 178.516 176.300 0.058 0.000 1.004 182 D CA 1.459 55.382 54.000 -0.129 0.000 0.854 182 D CB -0.516 39.967 40.800 -0.528 0.000 0.936 182 D HN 0.264 nan 8.370 nan 0.000 0.446 183 L N -0.428 120.798 121.223 0.006 0.000 2.127 183 L HA -0.170 4.169 4.340 -0.001 0.000 0.211 183 L C 2.428 179.352 176.870 0.090 0.000 1.089 183 L CA 0.901 55.818 54.840 0.128 0.000 0.757 183 L CB -0.293 41.801 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -1.000 118.581 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.001 0.000 0.261 184 M C 2.129 178.502 176.300 0.122 0.000 1.075 184 M CA 1.520 56.799 55.300 -0.035 0.000 1.133 184 M CB -0.536 31.714 32.600 -0.583 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.968 119.753 118.700 0.142 0.000 2.091 185 N HA -0.226 4.513 4.740 -0.001 0.000 0.193 185 N C 1.386 176.945 175.510 0.082 0.000 1.021 185 N CA 1.950 55.099 53.050 0.166 0.000 0.862 185 N CB -0.814 37.748 38.487 0.124 0.000 1.018 185 N HN 0.410 nan 8.380 nan 0.000 0.429 186 N N 0.804 119.571 118.700 0.113 0.000 2.149 186 N HA -0.106 4.633 4.740 -0.001 0.000 0.188 186 N C 1.523 177.067 175.510 0.057 0.000 1.019 186 N CA 1.619 54.711 53.050 0.070 0.000 0.857 186 N CB -0.208 38.345 38.487 0.110 0.000 0.997 186 N HN 0.207 nan 8.380 nan 0.000 0.426 187 A N 0.312 123.174 122.820 0.071 0.000 2.015 187 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 187 A C 2.045 179.580 177.584 -0.081 0.000 1.163 187 A CA 0.838 52.910 52.037 0.059 0.000 0.646 187 A CB -0.520 18.549 19.000 0.115 0.000 0.806 187 A HN 0.360 nan 8.150 nan 0.000 0.448 188 I N -0.216 120.226 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 188 I C 2.526 178.679 176.117 0.060 0.000 1.088 188 I CA 1.100 62.224 61.300 -0.292 0.000 1.357 188 I CB -1.413 36.479 38.000 -0.180 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.824 120.785 119.914 0.079 0.000 2.223 189 V HA -0.281 3.839 4.120 -0.001 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.809 64.211 62.300 0.170 0.000 1.000 189 V CB -0.733 31.131 31.823 0.070 0.000 0.635 189 V HN 0.388 nan 8.190 nan 0.000 0.445 190 E N -0.911 119.388 120.200 0.165 0.000 2.253 190 E HA -0.325 4.024 4.350 -0.001 0.000 0.202 190 E C 2.153 178.871 176.600 0.198 0.000 1.014 190 E CA 1.688 58.180 56.400 0.153 0.000 0.823 190 E CB -0.226 29.548 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.546 118.638 119.070 0.190 0.000 2.343 191 H HA -0.141 4.415 4.556 -0.001 0.000 0.303 191 H C 1.999 177.440 175.328 0.189 0.000 1.068 191 H CA 1.528 57.703 56.048 0.212 0.000 1.359 191 H CB -0.359 29.618 29.762 0.358 0.000 1.402 191 H HN 0.245 nan 8.280 nan 0.000 0.515 192 Y N 1.734 122.182 120.300 0.247 0.000 2.193 192 Y HA -0.212 4.337 4.550 -0.001 0.000 0.285 192 Y C 2.573 178.488 175.900 0.026 0.000 1.166 192 Y CA 1.574 59.762 58.100 0.148 0.000 1.181 192 Y CB -0.659 37.907 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.310 121.566 121.223 0.055 0.000 2.191 193 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 193 L C 2.356 179.139 176.870 -0.144 0.000 1.103 193 L CA 1.861 56.661 54.840 -0.067 0.000 0.769 193 L CB -0.424 41.664 42.059 0.049 0.000 0.908 193 L HN 0.231 nan 8.230 nan 0.000 0.438 194 K N -1.231 119.073 120.400 -0.159 0.000 2.353 194 K HA 0.065 4.385 4.320 -0.001 0.000 0.195 194 K C 1.199 177.655 176.600 -0.240 0.000 1.031 194 K CA 0.185 56.367 56.287 -0.174 0.000 1.079 194 K CB 0.819 33.238 32.500 -0.135 0.000 0.857 194 K HN 0.048 nan 8.250 nan 0.000 0.535 195 V N -1.580 118.138 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.223 4.120 -0.001 0.000 0.214 195 V C 1.795 177.744 176.094 -0.241 0.000 1.433 195 V CA 0.696 62.828 62.300 -0.281 0.000 1.301 195 V CB 0.202 31.813 31.823 -0.353 0.000 1.160 195 V HN 0.373 nan 8.190 nan 0.000 0.505 196 G N 2.498 111.142 108.800 -0.260 0.000 2.900 196 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.212 196 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.212 196 G C 1.467 176.129 174.900 -0.397 0.000 1.359 196 G CA 2.016 46.974 45.100 -0.237 0.000 0.800 196 G HN 0.610 nan 8.290 nan 0.000 0.680 197 R N 0.040 120.003 120.500 -0.895 0.000 2.133 197 R HA -0.207 4.132 4.340 -0.001 0.000 0.245 197 R C 1.946 178.107 176.300 -0.230 0.000 1.137 197 R CA 2.022 57.843 56.100 -0.464 0.000 0.947 197 R CB -0.898 29.117 30.300 -0.475 0.000 0.865 197 R HN 0.444 nan 8.270 nan 0.000 0.437 198 Q N 0.882 120.543 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.001 0.000 0.231 198 Q C -0.538 175.395 176.000 -0.111 0.000 0.900 198 Q CA 0.435 56.153 55.803 -0.143 0.000 0.966 198 Q CB 0.095 28.754 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.351 117.289 118.700 -0.101 0.000 2.278 199 N HA 0.149 4.889 4.740 -0.001 0.000 0.239 199 N C -0.128 175.348 175.510 -0.057 0.000 1.411 199 N CA 0.531 53.538 53.050 -0.072 0.000 0.908 199 N CB 1.083 39.526 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.154 108.924 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G C -0.130 174.772 174.900 0.004 0.000 1.741 200 G CA -0.280 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.939 nan 8.290 nan 0.000 0.561 201 V N 3.020 122.944 119.914 0.016 0.000 3.383 201 V HA -0.084 4.035 4.120 -0.001 0.000 0.276 201 V C 1.061 177.274 176.094 0.199 0.000 1.512 201 V CA 1.862 64.213 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.466 126.759 121.223 0.117 0.000 2.490 202 L HA 0.470 4.810 4.340 -0.001 0.000 0.245 202 L C 1.444 178.328 176.870 0.024 0.000 1.185 202 L CA -0.489 54.413 54.840 0.103 0.000 0.813 202 L CB 0.021 42.093 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.055 120.190 120.200 -0.107 0.000 2.072 203 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 203 E C 2.106 178.590 176.600 -0.193 0.000 0.982 203 E CA 1.159 57.347 56.400 -0.354 0.000 0.803 203 E CB -0.048 29.316 29.700 -0.562 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.666 117.305 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.302 4.470 -0.001 0.000 0.237 204 S C 1.065 175.680 174.600 0.026 0.000 1.044 204 S CA 1.679 59.871 58.200 -0.013 0.000 1.024 204 S CB -0.309 62.888 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.127 120.531 120.400 0.005 0.000 3.008 205 D HA 0.202 4.841 4.640 -0.001 0.000 0.312 205 D C -0.381 175.945 176.300 0.043 0.000 1.361 205 D CA -0.284 53.737 54.000 0.036 0.000 0.858 205 D CB -0.603 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.067 121.653 120.570 0.027 0.000 2.379 206 I HA 0.276 4.445 4.170 -0.001 0.000 0.290 206 I C 1.096 177.238 176.117 0.043 0.000 1.063 206 I CA -0.448 60.848 61.300 -0.007 0.000 1.351 206 I CB 1.292 39.256 38.000 -0.060 0.000 1.410 206 I HN 0.103 nan 8.210 nan 0.000 0.505 207 G N 4.913 113.747 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.443 3.960 -0.001 0.000 0.284 207 G HA3 0.484 4.443 3.960 -0.001 0.000 0.284 207 G C -0.373 174.502 174.900 -0.042 0.000 1.172 207 G CA -0.259 44.862 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.201 121.049 119.914 -0.111 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.001 0.000 0.470 208 V C -0.192 175.719 176.094 -0.306 0.000 0.682 208 V CA 0.699 62.867 62.300 -0.219 0.000 2.009 208 V CB -0.943 30.771 31.823 -0.181 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.459 125.608 120.400 -0.417 0.000 2.550 209 K HA 0.589 4.908 4.320 -0.001 0.000 0.252 209 K C -1.289 175.078 176.600 -0.388 0.000 0.943 209 K CA -0.749 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.398 33.765 32.500 -0.220 0.000 1.289 209 K HN 0.339 nan 8.250 nan 0.000 0.435 210 F N 2.970 122.884 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.819 4.527 -0.001 0.000 0.352 210 F C 0.980 176.752 175.800 -0.047 0.000 1.108 210 F CA -0.133 57.833 58.000 -0.056 0.000 1.162 210 F CB 0.815 39.756 39.000 -0.100 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.491 120.971 120.400 0.134 0.000 2.758 211 D HA 0.411 5.050 4.640 -0.001 0.000 0.262 211 D C -0.134 176.201 176.300 0.059 0.000 1.113 211 D CA -0.277 53.784 54.000 0.101 0.000 1.114 211 D CB 2.318 43.236 40.800 0.196 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.031 112.520 114.554 -0.005 0.000 3.855 212 T HA 0.278 4.628 4.350 -0.001 0.000 0.313 212 T C -0.009 174.609 174.700 -0.137 0.000 0.938 212 T CA -0.623 61.439 62.100 -0.063 0.000 1.011 212 T CB -0.023 68.800 68.868 -0.075 0.000 1.188 212 T HN 0.544 nan 8.240 nan 0.000 0.477 213 R N 0.114 120.464 120.500 -0.251 0.000 2.888 213 R HA 0.541 4.881 4.340 -0.001 0.000 0.264 213 R C -0.926 175.044 176.300 -0.551 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.904 30.857 30.300 -0.578 0.000 1.210 213 R HN 0.127 nan 8.270 nan 0.000 0.479 214 N N 1.120 119.443 118.700 -0.628 0.000 3.034 214 N HA 0.140 4.879 4.740 -0.001 0.000 0.265 214 N C -1.016 174.303 175.510 -0.317 0.000 1.166 214 N CA -0.529 52.301 53.050 -0.366 0.000 1.081 214 N CB 0.123 38.362 38.487 -0.413 0.000 1.378 214 N HN 0.343 nan 8.380 nan 0.000 0.520 215 F N 2.275 122.103 119.950 -0.204 0.000 2.616 215 F HA 0.035 4.562 4.527 -0.001 0.000 0.331 215 F C 1.550 177.241 175.800 -0.181 0.000 1.309 215 F CA 0.108 57.952 58.000 -0.259 0.000 1.068 215 F CB 0.015 38.713 39.000 -0.505 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.713 121.221 120.500 0.013 0.000 2.475 216 R HA 0.056 4.395 4.340 -0.001 0.000 0.050 216 R C 0.559 176.852 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.792 29.216 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.771 120.456 121.223 0.007 0.000 2.044 217 L HA 0.139 4.478 4.340 -0.001 0.000 0.205 217 L C 2.258 179.188 176.870 0.100 0.000 1.075 217 L CA 1.837 56.693 54.840 0.027 0.000 0.747 217 L CB -0.364 41.663 42.059 -0.055 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.129 108.739 108.800 0.115 0.000 2.418 218 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G C 0.639 175.623 174.900 0.141 0.000 1.158 218 G CA -0.218 44.943 45.100 0.102 0.000 0.771 218 G HN 0.181 nan 8.290 nan 0.000 0.545 219 F N 1.800 121.775 119.950 0.041 0.000 2.295 219 F HA -0.106 4.420 4.527 -0.001 0.000 0.410 219 F C 0.262 176.085 175.800 0.038 0.000 0.891 219 F CA 0.410 58.439 58.000 0.048 0.000 1.125 219 F CB 0.434 39.458 39.000 0.040 0.000 0.860 219 F HN 0.087 nan 8.300 nan 0.000 0.551 220 D N 8.736 128.766 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.001 0.000 0.240 220 D C -1.681 174.248 176.300 -0.619 0.000 1.080 220 D CA -1.770 51.986 54.000 -0.407 0.000 0.836 220 D CB 1.955 42.584 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.168 178.431 177.300 -0.063 0.000 1.142 221 P CA 0.679 63.786 63.100 0.011 0.000 0.788 221 P CB 0.715 32.494 31.700 0.132 0.000 0.767 222 V N -0.500 119.335 119.914 -0.131 0.000 2.599 222 V HA -0.068 4.051 4.120 -0.001 0.000 0.237 222 V C 2.617 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.902 64.145 62.300 -0.095 0.000 1.107 222 V CB -1.713 30.071 31.823 -0.066 0.000 0.808 222 V HN 0.040 nan 8.190 nan 0.000 0.486 223 T N 0.548 114.989 114.554 -0.189 0.000 2.699 223 T HA -0.084 4.265 4.350 -0.001 0.000 0.268 223 T C 1.544 176.115 174.700 -0.215 0.000 1.036 223 T CA 2.038 64.024 62.100 -0.189 0.000 1.147 223 T CB -0.671 68.065 68.868 -0.219 0.000 0.862 223 T HN 0.981 nan 8.240 nan 0.000 0.446 224 G N 0.568 109.146 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.242 224 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.242 224 G C -0.070 174.720 174.900 -0.183 0.000 0.989 224 G CA 0.052 44.981 45.100 -0.285 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.735 120.303 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.001 0.000 0.256 225 L C 0.526 177.338 176.870 -0.097 0.000 1.026 225 L CA -1.433 53.353 54.840 -0.090 0.000 0.828 225 L CB 2.250 44.270 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.773 122.717 119.914 0.051 0.000 2.149 226 V HA -0.012 4.107 4.120 -0.001 0.000 0.245 226 V C 1.473 177.537 176.094 -0.050 0.000 1.349 226 V CA -0.252 62.080 62.300 0.054 0.000 1.289 226 V CB 0.081 31.958 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.562 123.106 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.270 4.480 -0.001 0.000 0.249 227 M C 0.013 176.244 176.300 -0.115 0.000 1.081 227 M CA 2.277 57.495 55.300 -0.138 0.000 1.072 227 M CB -2.436 30.074 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.033 nan 4.420 nan 0.000 0.222 228 P C 0.912 178.178 177.300 -0.056 0.000 1.142 228 P CA 2.124 65.194 63.100 -0.050 0.000 0.788 228 P CB -0.156 31.529 31.700 -0.024 0.000 0.767 229 G N -2.456 106.293 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G C 0.076 174.913 174.900 -0.105 0.000 0.976 229 G CA 0.046 45.096 45.100 -0.084 0.000 0.655 229 G HN 0.386 nan 8.290 nan 0.000 0.533 230 V N -0.301 119.534 119.914 -0.132 0.000 2.851 230 V HA 0.439 4.558 4.120 -0.001 0.000 0.307 230 V C -0.445 175.568 176.094 -0.135 0.000 1.129 230 V CA -1.381 60.845 62.300 -0.123 0.000 0.932 230 V CB 1.817 33.629 31.823 -0.018 0.000 1.024 230 V HN 0.247 nan 8.190 nan 0.000 0.426 231 Y N 1.964 122.309 120.300 0.075 0.000 2.637 231 Y HA 0.137 4.687 4.550 -0.001 0.000 0.350 231 Y C 1.450 177.303 175.900 -0.079 0.000 1.069 231 Y CA 0.256 58.363 58.100 0.012 0.000 1.397 231 Y CB 0.925 39.413 38.460 0.047 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.684 118.268 114.554 0.051 0.000 2.609 232 T HA -0.197 4.152 4.350 -0.001 0.000 0.257 232 T C 0.879 175.541 174.700 -0.064 0.000 1.032 232 T CA -0.059 62.034 62.100 -0.011 0.000 1.244 232 T CB -0.444 68.408 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.964 123.653 118.700 -0.019 0.000 2.938 233 N HA 0.036 4.775 4.740 -0.001 0.000 0.286 233 N C -0.073 175.433 175.510 -0.007 0.000 1.316 233 N CA 0.247 53.282 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.347 38.487 0.017 0.000 1.388 233 N HN 0.737 nan 8.380 nan 0.000 0.545 234 E N -0.737 119.453 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.944 4.350 -0.001 0.000 0.268 234 E C -1.076 175.615 176.600 0.151 0.000 0.902 234 E CA -1.030 55.437 56.400 0.111 0.000 0.779 234 E CB 1.469 31.332 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.179 126.116 122.820 0.196 0.000 2.320 235 A HA 0.366 4.685 4.320 -0.001 0.000 0.287 235 A C -0.631 177.183 177.584 0.384 0.000 1.181 235 A CA -0.074 52.072 52.037 0.180 0.000 0.831 235 A CB -0.001 19.018 19.000 0.031 0.000 1.102 235 A HN 0.618 nan 8.150 nan 0.000 0.513 236 F N 0.007 119.863 119.950 -0.156 0.000 2.577 236 F HA 0.277 4.804 4.527 -0.001 0.000 0.276 236 F C 0.771 176.525 175.800 -0.076 0.000 1.032 236 F CA 0.971 58.891 58.000 -0.133 0.000 1.297 236 F CB -0.112 38.762 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.676 117.337 119.070 -0.095 0.000 3.081 237 H HA 0.360 4.915 4.556 -0.001 0.000 0.322 237 H C -3.062 172.225 175.328 -0.068 0.000 1.266 237 H CA -1.631 54.368 56.048 -0.082 0.000 1.279 237 H CB 1.923 31.666 29.762 -0.031 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.111 176.214 177.300 0.041 0.000 1.218 238 P CA 0.146 63.088 63.100 -0.263 0.000 0.780 238 P CB 0.677 32.156 31.700 -0.367 0.000 0.901 239 D N 1.396 121.893 120.400 0.161 0.000 2.615 239 D HA 0.350 4.989 4.640 -0.001 0.000 0.267 239 D C -1.172 175.264 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.255 42.410 40.800 0.592 0.000 1.380 239 D HN 0.279 nan 8.370 nan 0.000 0.433 240 I N -1.787 118.910 120.570 0.211 0.000 2.465 240 I HA 0.599 4.768 4.170 -0.001 0.000 0.291 240 I C -0.857 175.269 176.117 0.015 0.000 1.014 240 I CA -1.139 60.176 61.300 0.025 0.000 1.093 240 I CB 1.695 39.673 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.377 126.870 120.570 -0.128 0.000 2.437 241 I HA 0.513 4.682 4.170 -0.001 0.000 0.298 241 I C -0.397 175.632 176.117 -0.146 0.000 0.984 241 I CA -0.682 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.838 39.640 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.889 127.108 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.926 4.340 -0.001 0.000 0.262 242 L C -0.669 176.338 176.870 0.227 0.000 1.006 242 L CA -0.742 54.154 54.840 0.093 0.000 0.818 242 L CB 2.412 44.600 42.059 0.216 0.000 1.354 242 L HN 0.439 nan 8.230 nan 0.000 0.415 243 L N 1.519 122.777 121.223 0.059 0.000 2.358 243 L HA 0.536 4.875 4.340 -0.001 0.000 0.268 243 L C -2.168 174.225 176.870 -0.795 0.000 1.032 243 L CA -1.821 52.969 54.840 -0.083 0.000 0.805 243 L CB 2.142 44.230 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.006 nan 4.420 nan 0.000 0.267 244 P C 0.560 177.339 177.300 -0.868 0.000 1.201 244 P CA 0.896 63.116 63.100 -1.466 0.000 0.775 244 P CB 0.445 31.790 31.700 -0.592 0.000 0.854 245 G N -0.059 108.304 108.800 -0.727 0.000 2.322 245 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G C 0.531 174.889 174.900 -0.903 0.000 0.992 245 G CA 0.660 45.247 45.100 -0.855 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.614 117.309 119.300 -0.630 0.000 2.651 246 C HA 1.109 5.569 4.460 -0.001 0.000 0.416 246 C C 1.071 175.934 174.990 -0.213 0.000 1.818 246 C CA 0.011 58.775 59.018 -0.424 0.000 1.790 246 C CB 1.255 28.857 27.740 -0.231 0.000 2.048 246 C HN 2.248 nan 8.230 nan 0.000 0.470 247 G N -1.371 107.319 108.800 -0.184 0.000 2.324 247 G HA2 0.580 4.539 3.960 -0.001 0.000 0.293 247 G HA3 0.580 4.539 3.960 -0.001 0.000 0.293 247 G C -1.261 173.680 174.900 0.069 0.000 1.297 247 G CA 0.190 45.284 45.100 -0.011 0.000 0.853 247 G HN 2.188 nan 8.290 nan 0.000 0.535 248 V N -2.288 117.763 119.914 0.228 0.000 3.001 248 V HA 0.930 5.049 4.120 -0.001 0.000 0.314 248 V C -1.301 174.974 176.094 0.301 0.000 1.099 248 V CA -0.683 61.786 62.300 0.282 0.000 0.989 248 V CB 2.197 34.111 31.823 0.150 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.132 121.584 120.400 0.087 0.000 2.863 249 D HA 0.448 5.087 4.640 -0.001 0.000 0.245 249 D C -0.932 175.187 176.300 -0.302 0.000 1.211 249 D CA -0.407 53.571 54.000 -0.036 0.000 0.888 249 D CB 2.053 42.730 40.800 -0.205 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.428 121.377 119.950 -0.003 0.000 2.682 250 F HA 0.099 4.625 4.527 -0.001 0.000 0.308 250 F C 2.323 178.092 175.800 -0.051 0.000 1.093 250 F CA -0.229 57.731 58.000 -0.067 0.000 1.244 250 F CB 0.537 39.350 39.000 -0.311 0.000 1.052 250 F HN 0.323 nan 8.300 nan 0.000 0.573 251 T N -0.847 113.744 114.554 0.061 0.000 2.771 251 T HA -0.282 4.067 4.350 -0.001 0.000 0.262 251 T C 0.731 175.291 174.700 -0.234 0.000 1.027 251 T CA 1.847 63.873 62.100 -0.123 0.000 1.159 251 T CB -0.438 68.210 68.868 -0.368 0.000 0.844 251 T HN 0.284 nan 8.240 nan 0.000 0.478 252 H N 0.026 119.086 119.070 -0.017 0.000 2.429 252 H HA 0.660 5.216 4.556 -0.001 0.000 0.237 252 H C -0.331 174.936 175.328 -0.102 0.000 1.378 252 H CA -0.286 55.685 56.048 -0.128 0.000 1.170 252 H CB 0.342 29.954 29.762 -0.249 0.000 1.671 252 H HN 0.194 nan 8.280 nan 0.000 0.541 253 S N 0.280 116.065 115.700 0.141 0.000 2.556 253 S HA 0.283 4.752 4.470 -0.001 0.000 0.280 253 S C 0.351 175.041 174.600 0.149 0.000 1.141 253 S CA -0.729 57.578 58.200 0.179 0.000 0.883 253 S CB 1.265 64.626 63.200 0.269 0.000 1.103 253 S HN 0.465 nan 8.310 nan 0.000 0.453 254 R N 2.673 123.239 120.500 0.110 0.000 2.297 254 R HA 0.284 4.623 4.340 -0.001 0.000 0.197 254 R C 1.551 177.795 176.300 -0.094 0.000 0.943 254 R CA 0.288 56.395 56.100 0.011 0.000 1.038 254 R CB -0.226 30.083 30.300 0.015 0.000 0.957 254 R HN 0.624 nan 8.270 nan 0.000 0.484 255 L N 0.495 121.678 121.223 -0.066 0.000 2.189 255 L HA -0.264 4.075 4.340 -0.001 0.000 0.214 255 L C 2.583 179.182 176.870 -0.452 0.000 1.097 255 L CA 1.384 56.110 54.840 -0.191 0.000 0.764 255 L CB -0.580 41.418 42.059 -0.103 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.654 115.944 115.700 -0.683 0.000 2.368 256 S HA -0.290 4.180 4.470 -0.001 0.000 0.226 256 S C 1.888 176.121 174.600 -0.611 0.000 1.044 256 S CA 2.017 59.537 58.200 -1.133 0.000 1.062 256 S CB -0.375 62.197 63.200 -1.047 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.089 119.574 118.700 -0.358 0.000 2.348 257 N HA -0.088 4.651 4.740 -0.001 0.000 0.185 257 N C 1.597 176.972 175.510 -0.225 0.000 1.019 257 N CA 1.218 54.132 53.050 -0.226 0.000 0.880 257 N CB -0.524 37.881 38.487 -0.137 0.000 0.965 257 N HN 0.466 nan 8.380 nan 0.000 0.437 258 L N 0.846 121.905 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.392 4.340 -0.001 0.000 0.206 258 L C 1.957 178.654 176.870 -0.288 0.000 1.087 258 L CA 1.071 55.763 54.840 -0.248 0.000 0.767 258 L CB -0.281 41.624 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.195 120.802 121.223 -0.377 0.000 2.291 259 L HA 0.124 4.464 4.340 -0.001 0.000 0.214 259 L C 1.362 178.032 176.870 -0.334 0.000 1.120 259 L CA 0.688 55.296 54.840 -0.386 0.000 0.799 259 L CB -0.854 40.936 42.059 -0.447 0.000 0.925 259 L HN 0.551 nan 8.230 nan 0.000 0.446 260 G N 1.232 109.881 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G C -0.147 174.715 174.900 -0.063 0.000 1.085 260 G CA -0.302 44.750 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.223 120.636 120.570 -0.262 0.000 2.468 261 I HA 0.485 4.655 4.170 -0.001 0.000 0.284 261 I C 0.350 176.404 176.117 -0.105 0.000 1.038 261 I CA -0.785 60.307 61.300 -0.347 0.000 1.083 261 I CB 1.486 39.027 38.000 -0.765 0.000 1.223 261 I HN 0.110 nan 8.210 nan 0.000 0.443 262 R N 4.485 124.992 120.500 0.013 0.000 2.888 262 R HA 0.588 4.928 4.340 -0.001 0.000 0.266 262 R C -0.820 175.456 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.407 32.719 30.300 0.020 0.000 1.197 262 R HN 0.399 nan 8.270 nan 0.000 0.481 263 K N 1.258 121.549 120.400 -0.181 0.000 2.270 263 K HA 0.166 4.485 4.320 -0.001 0.000 0.276 263 K C 0.761 177.310 176.600 -0.086 0.000 1.023 263 K CA -0.125 56.007 56.287 -0.258 0.000 0.955 263 K CB 1.010 33.327 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.311 121.804 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.001 0.000 0.198 264 R C 0.154 176.471 176.300 0.027 0.000 0.988 264 R CA 0.904 57.019 56.100 0.026 0.000 1.041 264 R CB 0.209 30.549 30.300 0.068 0.000 0.926 264 R HN 0.508 nan 8.270 nan 0.000 0.476 265 Q N -0.992 118.815 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.495 4.340 -0.001 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.508 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.689 30.470 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.582 177.687 177.300 -0.324 0.000 1.160 266 P CA 1.728 64.613 63.100 -0.358 0.000 0.933 266 P CB 0.051 31.354 31.700 -0.662 0.000 0.793 267 F N -1.067 118.903 119.950 0.034 0.000 2.494 267 F HA -0.111 4.416 4.527 -0.001 0.000 0.298 267 F C 1.310 177.127 175.800 0.028 0.000 1.106 267 F CA 0.652 58.673 58.000 0.035 0.000 1.452 267 F CB -1.227 37.792 39.000 0.031 0.000 1.085 267 F HN -0.014 nan 8.300 nan 0.000 0.569 268 Q N 2.420 122.298 119.800 0.130 0.000 2.837 268 Q HA 0.040 4.380 4.340 -0.001 0.000 0.235 268 Q C 0.007 176.037 176.000 0.050 0.000 1.348 268 Q CA -0.266 55.586 55.803 0.081 0.000 0.990 268 Q CB -0.525 28.241 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.582 120.822 120.200 0.067 0.000 3.025 269 E HA -0.004 4.345 4.350 -0.001 0.000 0.248 269 E C 0.186 176.799 176.600 0.023 0.000 0.938 269 E CA 0.492 56.922 56.400 0.050 0.000 0.958 269 E CB -0.083 29.649 29.700 0.054 0.000 0.898 269 E HN 0.611 nan 8.360 nan 0.000 0.537 270 G N 4.063 112.886 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.235 270 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.235 270 G C -0.979 174.004 174.900 0.138 0.000 3.696 270 G CA -0.927 44.197 45.100 0.038 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.666 122.659 119.950 0.072 0.000 2.377 271 F HA 0.578 5.104 4.527 -0.001 0.000 0.360 271 F C 0.811 176.732 175.800 0.202 0.000 1.147 271 F CA -0.667 57.441 58.000 0.180 0.000 1.170 271 F CB 0.392 39.498 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.197 127.035 120.500 0.563 0.000 2.451 272 R HA 0.445 4.784 4.340 -0.001 0.000 0.307 272 R C -1.184 175.457 176.300 0.569 0.000 0.965 272 R CA -0.803 55.561 56.100 0.440 0.000 0.865 272 R CB 2.321 32.765 30.300 0.240 0.000 1.174 272 R HN 0.635 nan 8.270 nan 0.000 0.455 273 I N 3.178 124.074 120.570 0.543 0.000 2.428 273 I HA 0.209 4.378 4.170 -0.001 0.000 0.279 273 I C -0.406 175.939 176.117 0.381 0.000 1.040 273 I CA -0.106 61.504 61.300 0.516 0.000 1.171 273 I CB 1.398 39.682 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.460 120.220 114.554 0.344 0.000 2.828 274 T HA 0.010 4.360 4.350 -0.001 0.000 0.290 274 T C 0.686 175.522 174.700 0.227 0.000 1.019 274 T CA 0.056 62.308 62.100 0.253 0.000 1.031 274 T CB 0.976 69.970 68.868 0.210 0.000 1.001 274 T HN 0.550 nan 8.240 nan 0.000 0.531 275 Y N 1.289 121.618 120.300 0.049 0.000 2.145 275 Y HA -0.196 4.353 4.550 -0.001 0.000 0.286 275 Y C 2.297 178.230 175.900 0.056 0.000 1.145 275 Y CA 1.821 59.939 58.100 0.029 0.000 1.148 275 Y CB -0.295 38.140 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.119 120.589 120.400 0.116 0.000 2.203 276 D HA -0.214 4.425 4.640 -0.001 0.000 0.199 276 D C 1.449 177.751 176.300 0.004 0.000 0.997 276 D CA 1.744 55.760 54.000 0.026 0.000 0.863 276 D CB -0.106 40.748 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.216 120.672 120.400 0.094 0.000 2.117 277 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 277 D C 1.256 177.634 176.300 0.129 0.000 0.982 277 D CA 0.232 54.340 54.000 0.180 0.000 0.828 277 D CB -0.045 40.977 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.235 123.489 121.223 0.053 0.000 2.869 278 L HA 0.033 4.372 4.340 -0.001 0.000 0.240 278 L C 0.971 177.766 176.870 -0.125 0.000 1.448 278 L CA -0.242 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.823 41.217 42.059 -0.032 0.000 1.497 278 L HN -0.048 nan 8.230 nan 0.000 0.447 279 E N 1.001 121.158 120.200 -0.072 0.000 2.683 279 E HA 0.137 4.486 4.350 -0.001 0.000 0.266 279 E C 0.894 177.428 176.600 -0.111 0.000 1.434 279 E CA 0.526 56.870 56.400 -0.093 0.000 1.137 279 E CB 0.332 30.010 29.700 -0.036 0.000 0.992 279 E HN 0.417 nan 8.360 nan 0.000 0.607 280 G N -0.570 108.174 108.800 -0.094 0.000 2.903 280 G HA2 0.102 4.062 3.960 -0.001 0.000 0.332 280 G HA3 0.102 4.062 3.960 -0.001 0.000 0.332 280 G C 0.512 175.312 174.900 -0.168 0.000 0.190 280 G CA 0.700 45.733 45.100 -0.112 0.000 1.231 280 G HN 1.085 nan 8.290 nan 0.000 0.363 281 G N 2.108 110.751 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.175 281 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.175 281 G C -0.315 174.407 174.900 -0.297 0.000 1.078 281 G CA -0.202 44.724 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.886 119.342 118.700 -0.407 0.000 2.430 282 N HA 0.420 5.159 4.740 -0.001 0.000 0.292 282 N C 0.835 176.146 175.510 -0.332 0.000 1.051 282 N CA -0.583 52.294 53.050 -0.287 0.000 0.917 282 N CB 1.727 40.082 38.487 -0.219 0.000 1.164 282 N HN 0.316 nan 8.380 nan 0.000 0.484 283 I N 2.568 123.004 120.570 -0.224 0.000 2.828 283 I HA -0.076 4.094 4.170 -0.001 0.000 0.292 283 I C -1.807 174.298 176.117 -0.020 0.000 1.206 283 I CA -0.701 60.472 61.300 -0.212 0.000 1.420 283 I CB -0.259 37.493 38.000 -0.414 0.000 1.368 283 I HN 0.186 nan 8.210 nan 0.000 0.556 284 P HA 0.093 nan 4.420 nan 0.000 0.272 284 P C -0.554 177.031 177.300 0.475 0.000 1.254 284 P CA -0.220 63.119 63.100 0.399 0.000 0.795 284 P CB 0.602 32.631 31.700 0.549 0.000 1.022 285 A N 0.444 123.528 122.820 0.441 0.000 2.269 285 A HA 0.617 4.936 4.320 -0.001 0.000 0.327 285 A C -0.530 177.190 177.584 0.226 0.000 1.112 285 A CA -0.724 51.530 52.037 0.363 0.000 0.865 285 A CB 0.094 19.256 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.767 122.069 121.223 0.131 0.000 2.334 286 L HA 0.349 4.688 4.340 -0.001 0.000 0.277 286 L C -0.008 176.854 176.870 -0.013 0.000 1.075 286 L CA -0.687 54.139 54.840 -0.023 0.000 0.804 286 L CB 0.995 43.009 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.176 123.367 121.223 -0.054 0.000 2.461 287 L HA 0.071 4.410 4.340 -0.001 0.000 0.272 287 L C 0.510 177.354 176.870 -0.043 0.000 1.197 287 L CA 0.391 55.192 54.840 -0.066 0.000 0.836 287 L CB 0.361 42.343 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.800 124.188 120.400 -0.020 0.000 2.608 288 D HA -0.039 4.600 4.640 -0.001 0.000 0.224 288 D C 1.387 177.706 176.300 0.033 0.000 1.123 288 D CA 0.176 54.175 54.000 -0.001 0.000 1.030 288 D CB 0.402 41.206 40.800 0.007 0.000 1.093 288 D HN 0.568 nan 8.370 nan 0.000 0.497 289 V N 3.462 123.384 119.914 0.014 0.000 2.277 289 V HA -0.317 3.802 4.120 -0.001 0.000 0.255 289 V C 1.606 177.760 176.094 0.099 0.000 1.074 289 V CA 2.194 64.524 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.434 nan 8.190 nan 0.000 0.449 290 D N -0.154 120.279 120.400 0.056 0.000 2.078 290 D HA -0.132 4.507 4.640 -0.001 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.924 55.952 54.000 0.046 0.000 0.827 290 D CB -0.573 40.239 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.644 123.494 122.820 0.050 0.000 1.859 291 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 291 A C 2.241 179.865 177.584 0.066 0.000 1.209 291 A CA 2.093 54.157 52.037 0.044 0.000 0.639 291 A CB -1.544 17.480 19.000 0.040 0.000 0.835 291 A HN 0.394 nan 8.150 nan 0.000 0.450 292 Y N 0.343 120.632 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.170 4.550 -0.001 0.000 0.265 292 Y C 2.611 178.503 175.900 -0.013 0.000 1.193 292 Y CA 2.768 60.858 58.100 -0.017 0.000 1.106 292 Y CB -0.730 37.719 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.327 119.480 119.800 0.011 0.000 1.975 293 Q HA -0.250 4.090 4.340 -0.001 0.000 0.205 293 Q C 2.548 178.475 176.000 -0.122 0.000 0.990 293 Q CA 1.696 57.439 55.803 -0.101 0.000 0.845 293 Q CB -0.609 28.164 28.738 0.059 0.000 0.913 293 Q HN 0.670 nan 8.270 nan 0.000 0.420 294 A N 0.428 123.217 122.820 -0.052 0.000 1.917 294 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 294 A C 2.105 179.644 177.584 -0.076 0.000 1.182 294 A CA 1.988 53.996 52.037 -0.048 0.000 0.633 294 A CB -0.887 18.100 19.000 -0.023 0.000 0.819 294 A HN 0.412 nan 8.150 nan 0.000 0.448 295 S N -1.635 114.007 115.700 -0.097 0.000 2.537 295 S HA 0.035 4.504 4.470 -0.001 0.000 0.240 295 S C 0.726 175.239 174.600 -0.145 0.000 0.981 295 S CA 0.570 58.706 58.200 -0.106 0.000 0.948 295 S CB -0.725 62.419 63.200 -0.093 0.000 0.759 295 S HN 0.385 nan 8.310 nan 0.000 0.531 374 K N 0.442 120.846 120.400 0.007 0.000 2.580 374 K HA 0.180 4.499 4.320 -0.001 0.000 0.258 374 K C -2.499 174.134 176.600 0.055 0.000 0.936 374 K CA -1.400 54.895 56.287 0.014 0.000 0.852 374 K CB 2.036 34.575 32.500 0.065 0.000 1.329 374 K HN 0.206 nan 8.250 nan 0.000 0.430 375 P HA -0.259 nan 4.420 nan 0.000 0.213 375 P C 1.337 178.690 177.300 0.089 0.000 1.170 375 P CA 1.731 64.870 63.100 0.066 0.000 0.902 375 P CB -0.008 31.731 31.700 0.065 0.000 0.789 376 V N -1.498 118.520 119.914 0.174 0.000 0.811 376 V HA -0.451 3.668 4.120 -0.001 0.000 0.097 376 V C 1.845 177.949 176.094 0.016 0.000 1.319 376 V CA 2.818 65.174 62.300 0.093 0.000 3.129 376 V CB -2.172 29.694 31.823 0.072 0.000 0.563 376 V HN 0.137 nan 8.190 nan 0.000 0.469 377 I N 0.366 120.941 120.570 0.008 0.000 2.442 377 I HA -0.261 3.909 4.170 -0.001 0.000 0.261 377 I C 1.722 177.834 176.117 -0.008 0.000 1.132 377 I CA 1.964 63.257 61.300 -0.012 0.000 1.412 377 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 377 I HN 0.534 nan 8.210 nan 0.000 0.448 378 K N 3.482 123.885 120.400 0.005 0.000 2.361 378 K HA 0.065 4.385 4.320 -0.001 0.000 0.283 378 K C -2.143 174.454 176.600 -0.005 0.000 1.078 378 K CA -1.095 55.193 56.287 0.002 0.000 1.041 378 K CB 0.190 32.697 32.500 0.012 0.000 0.932 378 K HN 0.065 nan 8.250 nan 0.000 0.462 379 P HA 0.047 nan 4.420 nan 0.000 0.285 379 P C -0.500 176.795 177.300 -0.008 0.000 1.448 379 P CA -0.804 62.301 63.100 0.009 0.000 0.953 379 P CB 0.647 32.366 31.700 0.032 0.000 1.175 380 L N 4.042 125.246 121.223 -0.032 0.000 2.927 380 L HA -0.118 4.222 4.340 -0.001 0.000 0.292 380 L C 1.144 177.907 176.870 -0.178 0.000 1.088 380 L CA 1.498 56.279 54.840 -0.099 0.000 0.969 380 L CB -1.013 40.984 42.059 -0.104 0.000 1.399 380 L HN 0.335 nan 8.230 nan 0.000 0.458 381 T N 3.699 118.148 114.554 -0.175 0.000 3.043 381 T HA 0.057 4.406 4.350 -0.001 0.000 0.263 381 T C 0.731 175.234 174.700 -0.328 0.000 1.094 381 T CA 1.438 63.428 62.100 -0.184 0.000 1.127 381 T CB 0.222 69.032 68.868 -0.096 0.000 0.905 381 T HN 0.767 nan 8.240 nan 0.000 0.490 382 E N 0.167 120.120 120.200 -0.412 0.000 4.448 382 E HA 0.433 4.782 4.350 -0.001 0.000 0.159 382 E C -1.194 175.104 176.600 -0.503 0.000 1.117 382 E CA -0.707 55.443 56.400 -0.416 0.000 0.873 382 E CB 1.007 30.599 29.700 -0.182 0.000 1.896 382 E HN 0.248 nan 8.360 nan 0.000 0.412 383 D N -0.642 119.631 120.400 -0.211 0.000 2.871 383 D HA 0.071 4.710 4.640 -0.001 0.000 0.330 383 D C -0.847 175.432 176.300 -0.035 0.000 1.364 383 D CA -0.555 53.388 54.000 -0.095 0.000 0.759 383 D CB -0.326 40.488 40.800 0.024 0.000 1.325 383 D HN 0.193 nan 8.370 nan 0.000 0.452 384 S N -0.694 115.007 115.700 0.002 0.000 2.589 384 S HA 0.107 4.576 4.470 -0.001 0.000 0.256 384 S C 0.417 175.018 174.600 0.002 0.000 1.383 384 S CA 0.191 58.393 58.200 0.004 0.000 0.983 384 S CB -0.151 63.060 63.200 0.018 0.000 0.908 384 S HN 0.636 nan 8.310 nan 0.000 0.572 385 K N -0.169 120.229 120.400 -0.003 0.000 2.905 385 K HA -0.236 4.084 4.320 -0.001 0.000 0.256 385 K C -0.669 175.921 176.600 -0.018 0.000 1.008 385 K CA 0.991 57.273 56.287 -0.010 0.000 0.752 385 K CB -1.551 30.945 32.500 -0.008 0.000 1.216 385 K HN 0.596 nan 8.250 nan 0.000 0.479 386 K N 0.278 120.664 120.400 -0.022 0.000 5.029 386 K HA -0.262 4.057 4.320 -0.001 0.000 0.303 386 K C -0.528 176.056 176.600 -0.027 0.000 0.753 386 K CA 1.111 57.379 56.287 -0.033 0.000 0.889 386 K CB -0.713 31.768 32.500 -0.033 0.000 1.950 386 K HN 0.328 nan 8.250 nan 0.000 0.390 387 R N 1.007 121.502 120.500 -0.009 0.000 2.514 387 R HA 0.277 4.617 4.340 -0.001 0.000 0.301 387 R C 0.021 176.350 176.300 0.049 0.000 0.962 387 R CA -0.718 55.397 56.100 0.024 0.000 0.882 387 R CB 1.731 32.073 30.300 0.070 0.000 1.143 387 R HN 0.479 nan 8.270 nan 0.000 0.452 388 S N 1.513 117.242 115.700 0.049 0.000 2.565 388 S HA 0.173 4.642 4.470 -0.001 0.000 0.274 388 S C -0.059 174.661 174.600 0.201 0.000 1.309 388 S CA -0.564 57.666 58.200 0.049 0.000 1.043 388 S CB 0.527 63.730 63.200 0.006 0.000 0.939 388 S HN 0.565 nan 8.310 nan 0.000 0.504 389 Y N 2.005 122.276 120.300 -0.049 0.000 2.775 389 Y HA 0.297 4.846 4.550 -0.001 0.000 0.349 389 Y C 0.854 176.623 175.900 -0.217 0.000 1.094 389 Y CA -1.617 56.430 58.100 -0.089 0.000 1.467 389 Y CB -1.761 36.710 38.460 0.018 0.000 1.272 389 Y HN 0.735 nan 8.280 nan 0.000 0.515 390 N N 1.399 120.054 118.700 -0.075 0.000 2.770 390 N HA -0.241 4.499 4.740 -0.001 0.000 0.283 390 N C -0.525 174.934 175.510 -0.086 0.000 1.009 390 N CA 0.607 53.575 53.050 -0.138 0.000 0.828 390 N CB -0.509 37.801 38.487 -0.295 0.000 0.939 390 N HN 0.403 nan 8.380 nan 0.000 0.580 391 L N 1.461 122.682 121.223 -0.003 0.000 2.380 391 L HA 0.133 4.473 4.340 -0.001 0.000 0.273 391 L C 2.404 179.294 176.870 0.034 0.000 1.138 391 L CA -0.456 54.407 54.840 0.039 0.000 0.832 391 L CB 0.675 42.767 42.059 0.056 0.000 1.124 391 L HN 0.335 nan 8.230 nan 0.000 0.454 392 I N 0.529 121.137 120.570 0.064 0.000 2.185 392 I HA -0.190 3.979 4.170 -0.001 0.000 0.246 392 I C 0.958 177.101 176.117 0.042 0.000 1.088 392 I CA 1.273 62.611 61.300 0.063 0.000 1.347 392 I CB -0.174 37.887 38.000 0.102 0.000 1.041 392 I HN 0.701 nan 8.210 nan 0.000 0.415 393 S N -0.574 115.148 115.700 0.036 0.000 2.625 393 S HA 0.359 4.828 4.470 -0.001 0.000 0.271 393 S C 0.123 174.731 174.600 0.013 0.000 1.161 393 S CA -0.788 57.425 58.200 0.021 0.000 0.820 393 S CB 1.080 64.290 63.200 0.018 0.000 1.137 393 S HN 0.254 nan 8.310 nan 0.000 0.470 394 N N 1.266 119.969 118.700 0.005 0.000 2.513 394 N HA -0.086 4.654 4.740 -0.001 0.000 0.187 394 N C 0.247 175.755 175.510 -0.003 0.000 1.056 394 N CA 1.392 54.442 53.050 0.000 0.000 0.907 394 N CB -0.356 38.129 38.487 -0.003 0.000 0.954 394 N HN 0.618 nan 8.380 nan 0.000 0.445 395 D N 0.142 120.539 120.400 -0.005 0.000 2.805 395 D HA 0.031 4.670 4.640 -0.001 0.000 0.271 395 D C 0.502 176.785 176.300 -0.027 0.000 1.166 395 D CA 0.130 54.120 54.000 -0.017 0.000 1.004 395 D CB -0.740 40.048 40.800 -0.020 0.000 1.136 395 D HN -0.173 nan 8.370 nan 0.000 0.444 396 S N 0.663 116.344 115.700 -0.033 0.000 2.593 396 S HA -0.029 4.441 4.470 -0.001 0.000 0.303 396 S C 1.538 176.115 174.600 -0.039 0.000 1.267 396 S CA 0.667 58.826 58.200 -0.068 0.000 1.047 396 S CB 0.738 63.917 63.200 -0.034 0.000 0.777 396 S HN 0.459 nan 8.310 nan 0.000 0.498 397 T N 0.879 115.364 114.554 -0.115 0.000 3.081 397 T HA 0.211 4.560 4.350 -0.001 0.000 0.255 397 T C 0.391 175.224 174.700 0.222 0.000 1.113 397 T CA 0.102 62.202 62.100 0.000 0.000 1.082 397 T CB -0.275 68.558 68.868 -0.058 0.000 0.939 397 T HN 0.447 nan 8.240 nan 0.000 0.506 398 F N 2.614 122.626 119.950 0.105 0.000 2.371 398 F HA 0.462 4.988 4.527 -0.001 0.000 0.329 398 F C 1.359 177.209 175.800 0.083 0.000 1.107 398 F CA -1.258 56.804 58.000 0.104 0.000 1.137 398 F CB 1.273 40.320 39.000 0.078 0.000 1.214 398 F HN 0.071 nan 8.300 nan 0.000 0.536 399 T N -0.903 113.815 114.554 0.273 0.000 2.936 399 T HA 0.195 4.544 4.350 -0.001 0.000 0.282 399 T C 0.322 175.071 174.700 0.081 0.000 1.003 399 T CA -0.712 61.465 62.100 0.128 0.000 1.005 399 T CB 1.752 70.666 68.868 0.076 0.000 1.097 399 T HN 0.673 nan 8.240 nan 0.000 0.532 400 Q N -0.453 119.341 119.800 -0.010 0.000 2.472 400 Q HA 0.120 4.459 4.340 -0.001 0.000 0.208 400 Q C -0.453 175.651 176.000 0.173 0.000 0.958 400 Q CA 0.368 56.208 55.803 0.062 0.000 0.932 400 Q CB -0.130 28.594 28.738 -0.022 0.000 1.007 400 Q HN 0.663 nan 8.270 nan 0.000 0.508 401 Y N 0.888 121.207 120.300 0.032 0.000 2.480 401 Y HA 0.142 4.692 4.550 -0.001 0.000 0.341 401 Y C 0.298 176.159 175.900 -0.064 0.000 1.031 401 Y CA -0.699 57.378 58.100 -0.039 0.000 1.295 401 Y CB 0.454 38.794 38.460 -0.200 0.000 1.162 401 Y HN -0.100 nan 8.280 nan 0.000 0.523 402 R N 2.099 122.714 120.500 0.192 0.000 2.346 402 R HA 0.281 4.620 4.340 -0.001 0.000 0.311 402 R C -0.626 175.653 176.300 -0.036 0.000 0.983 402 R CA -0.417 55.681 56.100 -0.004 0.000 0.880 402 R CB 1.584 31.801 30.300 -0.138 0.000 1.100 402 R HN 0.495 nan 8.270 nan 0.000 0.453 403 S N 2.519 118.177 115.700 -0.070 0.000 2.454 403 S HA 0.157 4.626 4.470 -0.001 0.000 0.306 403 S C 0.403 175.072 174.600 0.114 0.000 1.100 403 S CA -0.815 57.393 58.200 0.013 0.000 1.087 403 S CB 0.548 63.751 63.200 0.006 0.000 1.019 403 S HN 0.748 nan 8.310 nan 0.000 0.480 404 W N 5.365 126.701 121.300 0.061 0.000 2.352 404 W HA -0.169 4.490 4.660 -0.001 0.000 0.322 404 W C 1.688 178.296 176.519 0.148 0.000 1.208 404 W CA 1.872 59.273 57.345 0.093 0.000 1.286 404 W CB -0.988 28.536 29.460 0.107 0.000 1.167 404 W HN 0.975 nan 8.180 nan 0.000 0.469 405 Y N 0.849 121.183 120.300 0.056 0.000 2.219 405 Y HA -0.356 4.194 4.550 -0.001 0.000 0.283 405 Y C 2.205 178.010 175.900 -0.158 0.000 1.191 405 Y CA 2.603 60.607 58.100 -0.161 0.000 1.199 405 Y CB -0.678 37.868 38.460 0.143 0.000 0.972 405 Y HN 0.036 nan 8.280 nan 0.000 0.527 406 L N -1.212 119.982 121.223 -0.049 0.000 2.023 406 L HA -0.154 4.185 4.340 -0.001 0.000 0.205 406 L C 2.818 179.598 176.870 -0.149 0.000 1.073 406 L CA 1.020 55.820 54.840 -0.067 0.000 0.745 406 L CB -1.226 40.767 42.059 -0.109 0.000 0.900 406 L HN 0.238 nan 8.230 nan 0.000 0.435 407 A N -0.523 122.167 122.820 -0.216 0.000 1.948 407 A HA -0.311 4.008 4.320 -0.001 0.000 0.220 407 A C 2.194 179.590 177.584 -0.313 0.000 1.177 407 A CA 1.857 53.758 52.037 -0.227 0.000 0.636 407 A CB -0.979 17.910 19.000 -0.185 0.000 0.815 407 A HN 0.472 nan 8.150 nan 0.000 0.449 408 Y N 2.042 121.938 120.300 -0.674 0.000 2.089 408 Y HA -0.256 4.294 4.550 -0.001 0.000 0.282 408 Y C 1.893 177.489 175.900 -0.506 0.000 1.139 408 Y CA 2.505 60.188 58.100 -0.697 0.000 1.123 408 Y CB -0.120 37.675 38.460 -1.109 0.000 0.980 408 Y HN 0.543 nan 8.280 nan 0.000 0.493 409 N N -2.660 115.795 118.700 -0.408 0.000 2.236 409 N HA -0.009 4.730 4.740 -0.001 0.000 0.196 409 N C 0.286 175.446 175.510 -0.584 0.000 1.114 409 N CA 0.515 53.269 53.050 -0.494 0.000 0.859 409 N CB -0.541 37.647 38.487 -0.498 0.000 0.982 409 N HN 0.409 nan 8.380 nan 0.000 0.493 410 Y N 0.120 120.240 120.300 -0.300 0.000 2.445 410 Y HA 0.477 5.027 4.550 -0.001 0.000 0.247 410 Y C 1.498 177.270 175.900 -0.212 0.000 1.129 410 Y CA -0.505 57.452 58.100 -0.238 0.000 1.251 410 Y CB 0.725 39.037 38.460 -0.246 0.000 1.176 410 Y HN 0.065 nan 8.280 nan 0.000 0.522 411 G N -0.787 107.940 108.800 -0.121 0.000 2.521 411 G HA2 0.110 4.069 3.960 -0.001 0.000 0.323 411 G HA3 0.110 4.069 3.960 -0.001 0.000 0.323 411 G C -1.120 173.703 174.900 -0.128 0.000 1.211 411 G CA -0.543 44.488 45.100 -0.114 0.000 0.979 411 G HN -0.057 nan 8.290 nan 0.000 0.490 412 D N 0.258 120.605 120.400 -0.089 0.000 2.554 412 D HA 0.032 4.671 4.640 -0.001 0.000 0.251 412 D C -1.160 175.076 176.300 -0.108 0.000 1.213 412 D CA -1.125 52.827 54.000 -0.079 0.000 0.900 412 D CB 1.368 42.141 40.800 -0.045 0.000 1.135 412 D HN -0.095 nan 8.370 nan 0.000 0.522 413 P HA -0.112 nan 4.420 nan 0.000 0.218 413 P C 1.096 178.331 177.300 -0.108 0.000 1.149 413 P CA 1.114 64.116 63.100 -0.164 0.000 0.817 413 P CB 0.274 31.874 31.700 -0.166 0.000 0.785 414 Q N -1.521 118.239 119.800 -0.068 0.000 2.187 414 Q HA -0.042 4.298 4.340 -0.001 0.000 0.199 414 Q C 1.743 177.737 176.000 -0.010 0.000 0.957 414 Q CA 1.849 57.630 55.803 -0.037 0.000 0.857 414 Q CB -0.258 28.463 28.738 -0.029 0.000 0.929 414 Q HN 0.346 nan 8.270 nan 0.000 0.453 415 T N -4.062 110.487 114.554 -0.008 0.000 2.958 415 T HA 0.232 4.581 4.350 -0.001 0.000 0.256 415 T C 1.068 175.799 174.700 0.052 0.000 0.983 415 T CA 0.211 62.324 62.100 0.022 0.000 0.924 415 T CB 0.343 69.217 68.868 0.010 0.000 1.136 415 T HN 0.160 nan 8.240 nan 0.000 0.506 416 G N 1.749 110.558 108.800 0.015 0.000 2.393 416 G HA2 0.361 4.320 3.960 -0.001 0.000 0.268 416 G HA3 0.361 4.320 3.960 -0.001 0.000 0.268 416 G C 0.679 175.645 174.900 0.110 0.000 1.472 416 G CA -0.081 45.032 45.100 0.022 0.000 1.059 416 G HN 0.190 nan 8.290 nan 0.000 0.555 417 I N -0.252 120.345 120.570 0.046 0.000 2.716 417 I HA 0.107 4.277 4.170 -0.001 0.000 0.259 417 I C 2.688 178.745 176.117 -0.099 0.000 1.172 417 I CA 0.313 61.644 61.300 0.052 0.000 1.478 417 I CB -0.320 37.724 38.000 0.074 0.000 1.104 417 I HN 0.509 nan 8.210 nan 0.000 0.439 418 R N -0.284 120.086 120.500 -0.218 0.000 2.303 418 R HA -0.158 4.182 4.340 -0.001 0.000 0.225 418 R C 2.214 178.400 176.300 -0.190 0.000 1.114 418 R CA 1.345 57.180 56.100 -0.441 0.000 1.007 418 R CB -0.157 29.643 30.300 -0.834 0.000 0.861 418 R HN 0.312 nan 8.270 nan 0.000 0.471 419 S N 0.116 115.800 115.700 -0.026 0.000 2.406 419 S HA -0.069 4.400 4.470 -0.001 0.000 0.228 419 S C 1.072 175.797 174.600 0.208 0.000 1.020 419 S CA 0.870 59.125 58.200 0.092 0.000 0.965 419 S CB -0.063 63.236 63.200 0.165 0.000 0.798 419 S HN 0.703 nan 8.310 nan 0.000 0.488 420 W N 1.983 123.303 121.300 0.033 0.000 2.252 420 W HA 0.406 5.065 4.660 -0.001 0.000 0.338 420 W C -0.448 176.103 176.519 0.054 0.000 0.914 420 W CA 0.103 57.465 57.345 0.028 0.000 1.754 420 W CB -1.232 28.228 29.460 0.001 0.000 1.135 420 W HN 0.279 nan 8.180 nan 0.000 0.531 421 T N -0.999 113.395 114.554 -0.266 0.000 2.896 421 T HA 0.717 5.066 4.350 -0.001 0.000 0.297 421 T C -1.452 173.346 174.700 0.162 0.000 1.108 421 T CA -0.677 61.300 62.100 -0.204 0.000 1.004 421 T CB 2.911 71.594 68.868 -0.308 0.000 1.159 421 T HN 0.166 nan 8.240 nan 0.000 0.499 422 L N 2.130 123.442 121.223 0.149 0.000 2.385 422 L HA 0.638 4.978 4.340 -0.001 0.000 0.273 422 L C -1.231 175.663 176.870 0.040 0.000 0.990 422 L CA -1.443 53.510 54.840 0.189 0.000 0.821 422 L CB 1.842 43.960 42.059 0.097 0.000 1.279 422 L HN 0.796 nan 8.230 nan 0.000 0.412 423 L N 5.228 126.317 121.223 -0.224 0.000 2.385 423 L HA 0.366 4.705 4.340 -0.001 0.000 0.281 423 L C -0.776 176.011 176.870 -0.139 0.000 1.106 423 L CA 0.370 55.006 54.840 -0.340 0.000 0.856 423 L CB 0.115 41.661 42.059 -0.856 0.000 1.186 423 L HN 0.642 nan 8.230 nan 0.000 0.453 424 C N 1.689 120.965 119.300 -0.040 0.000 2.913 424 C HA 0.581 5.041 4.460 -0.001 0.000 0.322 424 C C 0.397 175.453 174.990 0.110 0.000 1.292 424 C CA -0.838 58.190 59.018 0.018 0.000 1.649 424 C CB 1.726 29.472 27.740 0.009 0.000 2.139 424 C HN 0.801 nan 8.230 nan 0.000 0.475 425 T N 3.502 118.094 114.554 0.063 0.000 2.928 425 T HA 0.104 4.453 4.350 -0.001 0.000 0.305 425 T C -1.464 173.258 174.700 0.037 0.000 1.035 425 T CA 0.089 62.229 62.100 0.067 0.000 1.145 425 T CB 0.386 69.268 68.868 0.023 0.000 0.963 425 T HN 0.567 nan 8.240 nan 0.000 0.545 426 P HA -0.151 nan 4.420 nan 0.000 0.201 426 P C 0.070 177.328 177.300 -0.070 0.000 1.046 426 P CA 1.206 64.265 63.100 -0.069 0.000 0.942 426 P CB 0.077 31.716 31.700 -0.100 0.000 0.733 427 D N -2.371 117.996 120.400 -0.056 0.000 4.874 427 D HA -0.104 4.535 4.640 -0.001 0.000 0.228 427 D C 0.549 176.811 176.300 -0.063 0.000 1.423 427 D CA 0.558 54.530 54.000 -0.047 0.000 1.130 427 D CB -0.622 40.151 40.800 -0.045 0.000 0.564 427 D HN 0.065 nan 8.370 nan 0.000 0.272 428 V N 2.471 122.360 119.914 -0.043 0.000 2.488 428 V HA -0.131 3.988 4.120 -0.001 0.000 0.246 428 V C 2.655 178.713 176.094 -0.060 0.000 1.046 428 V CA 2.637 64.903 62.300 -0.057 0.000 1.053 428 V CB -1.125 30.686 31.823 -0.020 0.000 0.679 428 V HN 0.797 nan 8.190 nan 0.000 0.458 429 T N -3.075 111.463 114.554 -0.026 0.000 2.896 429 T HA -0.320 4.029 4.350 -0.001 0.000 0.270 429 T C 1.418 176.084 174.700 -0.056 0.000 1.104 429 T CA 1.431 63.516 62.100 -0.025 0.000 1.115 429 T CB -1.321 67.551 68.868 0.008 0.000 0.843 429 T HN 1.044 nan 8.240 nan 0.000 0.523 430 C N -0.282 118.976 119.300 -0.070 0.000 4.933 430 C HA 0.098 4.558 4.460 -0.001 0.000 0.249 430 C C 1.153 176.106 174.990 -0.062 0.000 1.406 430 C CA 0.559 59.527 59.018 -0.083 0.000 1.505 430 C CB -2.048 25.637 27.740 -0.090 0.000 1.870 430 C HN 1.801 nan 8.230 nan 0.000 0.651 431 G N 0.031 108.806 108.800 -0.042 0.000 2.661 431 G HA2 0.347 4.306 3.960 -0.001 0.000 0.262 431 G HA3 0.347 4.306 3.960 -0.001 0.000 0.262 431 G C -0.481 174.414 174.900 -0.008 0.000 1.310 431 G CA 0.036 45.121 45.100 -0.026 0.000 1.160 431 G HN 0.849 nan 8.290 nan 0.000 0.598 432 S N 2.405 118.108 115.700 0.006 0.000 2.714 432 S HA 0.237 4.706 4.470 -0.001 0.000 0.318 432 S C 0.476 175.101 174.600 0.041 0.000 1.219 432 S CA 0.206 58.423 58.200 0.028 0.000 1.175 432 S CB 0.638 63.854 63.200 0.028 0.000 0.961 432 S HN 0.539 nan 8.310 nan 0.000 0.518 433 E N 2.371 122.597 120.200 0.045 0.000 2.222 433 E HA 0.395 4.745 4.350 -0.001 0.000 0.267 433 E C -0.299 176.360 176.600 0.098 0.000 0.963 433 E CA -0.834 55.599 56.400 0.055 0.000 0.837 433 E CB 1.348 31.053 29.700 0.010 0.000 1.183 433 E HN 0.586 nan 8.360 nan 0.000 0.403 434 Q N -0.373 119.513 119.800 0.143 0.000 2.248 434 Q HA 0.651 4.990 4.340 -0.001 0.000 0.263 434 Q C -0.298 175.847 176.000 0.242 0.000 1.007 434 Q CA -1.085 54.846 55.803 0.213 0.000 0.877 434 Q CB 1.464 30.369 28.738 0.278 0.000 1.315 434 Q HN 0.285 nan 8.270 nan 0.000 0.454 435 V N -2.221 117.857 119.914 0.274 0.000 2.769 435 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 435 V C -1.244 175.109 176.094 0.432 0.000 1.061 435 V CA -0.943 61.491 62.300 0.222 0.000 0.931 435 V CB 1.167 33.017 31.823 0.045 0.000 1.010 435 V HN 0.814 nan 8.190 nan 0.000 0.433 436 Y N 1.187 121.486 120.300 -0.002 0.000 2.377 436 Y HA 0.578 5.127 4.550 -0.001 0.000 0.339 436 Y C -0.487 175.408 175.900 -0.010 0.000 1.011 436 Y CA -0.864 57.267 58.100 0.052 0.000 1.093 436 Y CB 2.099 40.600 38.460 0.069 0.000 1.201 436 Y HN 0.685 nan 8.280 nan 0.000 0.455 437 W N 1.209 122.558 121.300 0.082 0.000 2.390 437 W HA 0.589 5.248 4.660 -0.001 0.000 0.362 437 W C -0.708 175.778 176.519 -0.055 0.000 1.206 437 W CA -0.273 57.062 57.345 -0.017 0.000 1.355 437 W CB 1.663 31.037 29.460 -0.144 0.000 1.278 437 W HN 0.368 nan 8.180 nan 0.000 0.653 438 S N 0.735 116.563 115.700 0.213 0.000 2.563 438 S HA 0.486 4.955 4.470 -0.001 0.000 0.279 438 S C -1.157 173.401 174.600 -0.071 0.000 1.155 438 S CA -0.935 57.280 58.200 0.026 0.000 0.928 438 S CB 0.434 63.664 63.200 0.050 0.000 1.107 438 S HN 0.448 nan 8.310 nan 0.000 0.462 439 L N 1.767 122.906 121.223 -0.141 0.000 3.083 439 L HA 0.332 4.671 4.340 -0.001 0.000 0.286 439 L C -2.100 174.631 176.870 -0.232 0.000 1.307 439 L CA -1.952 52.778 54.840 -0.184 0.000 0.897 439 L CB 0.628 42.604 42.059 -0.138 0.000 1.306 439 L HN 0.398 nan 8.230 nan 0.000 0.569 440 P HA -0.278 nan 4.420 nan 0.000 0.229 440 P C 0.596 177.764 177.300 -0.219 0.000 1.152 440 P CA 1.732 64.621 63.100 -0.351 0.000 0.915 440 P CB 0.122 31.372 31.700 -0.751 0.000 0.784 441 D N -2.984 117.287 120.400 -0.214 0.000 2.340 441 D HA 0.126 4.765 4.640 -0.001 0.000 0.217 441 D C 1.462 177.696 176.300 -0.110 0.000 1.081 441 D CA 0.372 54.288 54.000 -0.139 0.000 0.842 441 D CB 0.166 40.886 40.800 -0.133 0.000 0.934 441 D HN 0.308 nan 8.370 nan 0.000 0.511 442 M N -0.723 118.807 119.600 -0.116 0.000 2.180 442 M HA 0.095 4.575 4.480 -0.001 0.000 0.289 442 M C -0.781 175.472 176.300 -0.078 0.000 1.089 442 M CA 0.219 55.461 55.300 -0.096 0.000 1.120 442 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 442 M HN -0.242 nan 8.290 nan 0.000 0.636 443 M N 1.282 120.832 119.600 -0.082 0.000 2.644 443 M HA 0.445 4.924 4.480 -0.001 0.000 0.316 443 M C -0.498 175.777 176.300 -0.042 0.000 1.200 443 M CA -0.380 54.884 55.300 -0.060 0.000 0.944 443 M CB 1.216 33.769 32.600 -0.077 0.000 1.691 443 M HN 0.077 nan 8.290 nan 0.000 0.471 444 Q N 0.980 120.770 119.800 -0.017 0.000 2.354 444 Q HA 0.174 4.513 4.340 -0.001 0.000 0.244 444 Q C -0.880 175.120 176.000 -0.000 0.000 0.969 444 Q CA -0.310 55.493 55.803 -0.001 0.000 0.885 444 Q CB 0.789 29.534 28.738 0.012 0.000 1.241 444 Q HN 0.444 nan 8.270 nan 0.000 0.461 445 D N 3.543 123.958 120.400 0.025 0.000 2.338 445 D HA 0.164 4.804 4.640 -0.001 0.000 0.255 445 D C -2.230 174.137 176.300 0.112 0.000 1.237 445 D CA -1.324 52.709 54.000 0.055 0.000 0.883 445 D CB 0.233 41.090 40.800 0.095 0.000 1.087 445 D HN 0.109 nan 8.370 nan 0.000 0.485 446 P HA -0.140 nan 4.420 nan 0.000 0.259 446 P C 1.214 178.691 177.300 0.295 0.000 1.163 446 P CA -0.040 63.180 63.100 0.200 0.000 0.760 446 P CB 0.669 32.485 31.700 0.193 0.000 0.762 447 V N 2.827 122.833 119.914 0.152 0.000 2.275 447 V HA -0.428 3.691 4.120 -0.001 0.000 0.165 447 V C 1.885 178.020 176.094 0.068 0.000 0.956 447 V CA 2.962 65.316 62.300 0.089 0.000 1.690 447 V CB -2.417 29.441 31.823 0.057 0.000 1.014 447 V HN 0.799 nan 8.190 nan 0.000 0.453 448 T N -2.832 111.727 114.554 0.007 0.000 3.069 448 T HA 0.371 4.720 4.350 -0.001 0.000 0.252 448 T C 0.022 174.639 174.700 -0.140 0.000 1.053 448 T CA -0.133 61.911 62.100 -0.093 0.000 0.964 448 T CB -0.297 68.463 68.868 -0.179 0.000 1.005 448 T HN 0.234 nan 8.240 nan 0.000 0.532 449 F N 3.209 123.183 119.950 0.039 0.000 2.410 449 F HA 0.461 4.987 4.527 -0.001 0.000 0.334 449 F C 1.126 176.954 175.800 0.048 0.000 1.134 449 F CA -1.196 56.835 58.000 0.052 0.000 1.227 449 F CB 0.796 39.838 39.000 0.069 0.000 1.194 449 F HN 0.058 nan 8.300 nan 0.000 0.571 450 R N 0.069 120.706 120.500 0.229 0.000 2.664 450 R HA 0.661 5.001 4.340 -0.001 0.000 0.286 450 R C -0.964 175.438 176.300 0.170 0.000 0.967 450 R CA -0.938 55.252 56.100 0.150 0.000 0.933 450 R CB 1.272 31.627 30.300 0.092 0.000 1.146 450 R HN 0.639 nan 8.270 nan 0.000 0.468 451 S N 1.024 116.804 115.700 0.132 0.000 2.548 451 S HA 0.263 4.733 4.470 -0.001 0.000 0.277 451 S C 0.027 174.706 174.600 0.131 0.000 1.315 451 S CA -0.387 57.893 58.200 0.134 0.000 1.050 451 S CB 1.484 64.741 63.200 0.095 0.000 0.918 451 S HN 0.772 nan 8.310 nan 0.000 0.497 452 T N 0.092 114.752 114.554 0.176 0.000 2.647 452 T HA 0.593 4.942 4.350 -0.001 0.000 0.295 452 T C 0.149 174.974 174.700 0.209 0.000 1.126 452 T CA -0.034 62.149 62.100 0.138 0.000 1.040 452 T CB 0.903 69.818 68.868 0.078 0.000 1.472 452 T HN 0.892 nan 8.240 nan 0.000 0.500 453 S N -0.042 115.726 115.700 0.114 0.000 2.819 453 S HA 0.267 4.737 4.470 -0.001 0.000 0.249 453 S C 0.304 174.852 174.600 -0.086 0.000 1.030 453 S CA -0.382 57.909 58.200 0.151 0.000 1.052 453 S CB -0.072 63.195 63.200 0.112 0.000 1.017 453 S HN 0.683 nan 8.310 nan 0.000 0.576 454 Q N 2.205 121.862 119.800 -0.239 0.000 2.490 454 Q HA 0.271 4.610 4.340 -0.001 0.000 0.226 454 Q C 0.926 176.496 176.000 -0.716 0.000 1.132 454 Q CA -0.524 55.084 55.803 -0.324 0.000 0.928 454 Q CB -0.043 28.590 28.738 -0.176 0.000 1.299 454 Q HN 0.451 nan 8.270 nan 0.000 0.528 455 I N 1.334 121.413 120.570 -0.818 0.000 2.292 455 I HA -0.389 3.781 4.170 -0.001 0.000 0.255 455 I C 1.446 177.212 176.117 -0.584 0.000 1.078 455 I CA 2.000 62.748 61.300 -0.921 0.000 1.365 455 I CB -1.361 36.487 38.000 -0.253 0.000 1.049 455 I HN 0.520 nan 8.210 nan 0.000 0.439 456 S N -0.839 114.650 115.700 -0.351 0.000 2.685 456 S HA 0.230 4.699 4.470 -0.001 0.000 0.240 456 S C 0.861 175.379 174.600 -0.135 0.000 0.967 456 S CA 0.053 58.146 58.200 -0.178 0.000 1.009 456 S CB -1.084 62.053 63.200 -0.105 0.000 0.776 456 S HN 0.777 nan 8.310 nan 0.000 0.467 457 N N -0.542 118.039 118.700 -0.198 0.000 1.958 457 N HA 0.210 4.949 4.740 -0.001 0.000 0.223 457 N C -0.964 174.589 175.510 0.072 0.000 1.395 457 N CA -0.256 52.776 53.050 -0.031 0.000 0.737 457 N CB 0.297 38.768 38.487 -0.026 0.000 1.155 457 N HN 0.147 nan 8.380 nan 0.000 0.529 458 F N 2.296 122.272 119.950 0.044 0.000 2.657 458 F HA 0.117 4.644 4.527 -0.001 0.000 0.347 458 F C -1.665 174.122 175.800 -0.021 0.000 1.180 458 F CA -0.903 57.106 58.000 0.015 0.000 1.383 458 F CB -0.301 38.693 39.000 -0.010 0.000 1.077 458 F HN 0.006 nan 8.300 nan 0.000 0.622 459 P HA 0.187 nan 4.420 nan 0.000 0.274 459 P C -0.972 176.092 177.300 -0.394 0.000 1.231 459 P CA -0.193 62.747 63.100 -0.267 0.000 0.790 459 P CB 0.733 32.343 31.700 -0.150 0.000 0.951 460 V N 2.494 121.880 119.914 -0.881 0.000 2.532 460 V HA 0.218 4.337 4.120 -0.001 0.000 0.295 460 V C 1.202 177.092 176.094 -0.340 0.000 1.041 460 V CA -0.120 61.936 62.300 -0.406 0.000 0.926 460 V CB 1.627 33.303 31.823 -0.244 0.000 0.992 460 V HN 0.494 nan 8.190 nan 0.000 0.457 461 V N 0.122 119.939 119.914 -0.161 0.000 3.485 461 V HA 0.736 4.856 4.120 -0.001 0.000 0.280 461 V C 0.516 176.511 176.094 -0.165 0.000 1.495 461 V CA 0.575 62.783 62.300 -0.154 0.000 1.018 461 V CB 0.366 32.096 31.823 -0.155 0.000 0.818 461 V HN 0.999 nan 8.190 nan 0.000 0.436 462 G N -0.280 108.435 108.800 -0.142 0.000 2.755 462 G HA2 0.757 4.716 3.960 -0.001 0.000 0.297 462 G HA3 0.757 4.716 3.960 -0.001 0.000 0.297 462 G C -1.181 173.766 174.900 0.077 0.000 1.441 462 G CA 0.021 45.008 45.100 -0.188 0.000 0.964 462 G HN 0.822 nan 8.290 nan 0.000 0.540 463 A N 0.974 123.884 122.820 0.150 0.000 2.356 463 A HA 0.987 5.306 4.320 -0.001 0.000 0.323 463 A C -0.363 177.409 177.584 0.313 0.000 1.119 463 A CA -0.586 51.528 52.037 0.127 0.000 0.790 463 A CB 2.033 20.957 19.000 -0.126 0.000 1.273 463 A HN 1.118 nan 8.150 nan 0.000 0.452 464 E N 1.465 121.853 120.200 0.313 0.000 2.378 464 E HA 0.397 4.747 4.350 -0.001 0.000 0.283 464 E C -1.949 174.794 176.600 0.238 0.000 0.979 464 E CA -0.758 55.823 56.400 0.303 0.000 0.795 464 E CB 1.161 31.141 29.700 0.467 0.000 1.221 464 E HN 0.574 nan 8.360 nan 0.000 0.428 465 L N 3.307 124.643 121.223 0.189 0.000 2.456 465 L HA 0.182 4.522 4.340 -0.001 0.000 0.272 465 L C -0.378 176.595 176.870 0.171 0.000 1.189 465 L CA -0.170 54.768 54.840 0.165 0.000 0.846 465 L CB 0.724 42.867 42.059 0.140 0.000 1.111 465 L HN 0.619 nan 8.230 nan 0.000 0.475 466 L N 8.222 129.534 121.223 0.147 0.000 2.456 466 L HA 0.300 4.639 4.340 -0.001 0.000 0.277 466 L C -1.913 175.044 176.870 0.146 0.000 1.124 466 L CA -1.512 53.409 54.840 0.134 0.000 0.880 466 L CB -0.220 41.903 42.059 0.106 0.000 1.192 466 L HN 0.503 nan 8.230 nan 0.000 0.463 467 P HA -0.080 nan 4.420 nan 0.000 0.148 467 P C -1.330 176.047 177.300 0.129 0.000 0.993 467 P CA 0.614 63.800 63.100 0.143 0.000 1.195 467 P CB -0.411 31.381 31.700 0.153 0.000 1.599 468 V N 1.589 121.623 119.914 0.201 0.000 2.711 468 V HA 0.334 4.453 4.120 -0.001 0.000 0.304 468 V C -0.135 176.188 176.094 0.383 0.000 1.097 468 V CA -0.728 61.691 62.300 0.198 0.000 0.906 468 V CB 1.938 33.839 31.823 0.131 0.000 1.015 468 V HN 0.344 nan 8.190 nan 0.000 0.427 469 H N 1.118 120.226 119.070 0.063 0.000 2.797 469 H HA 0.577 5.132 4.556 -0.001 0.000 0.362 469 H C -0.663 174.692 175.328 0.045 0.000 1.183 469 H CA -0.968 55.107 56.048 0.046 0.000 1.197 469 H CB 2.315 32.100 29.762 0.038 0.000 1.835 469 H HN 0.561 nan 8.280 nan 0.000 0.567 470 S N 1.969 117.740 115.700 0.119 0.000 2.488 470 S HA 0.109 4.578 4.470 -0.001 0.000 0.310 470 S C 0.008 174.637 174.600 0.048 0.000 1.093 470 S CA -0.660 57.583 58.200 0.073 0.000 1.129 470 S CB 0.265 63.477 63.200 0.020 0.000 0.989 470 S HN 0.267 nan 8.310 nan 0.000 0.479 471 K N 2.101 122.543 120.400 0.070 0.000 2.249 471 K HA 0.375 4.694 4.320 -0.001 0.000 0.280 471 K C -0.276 176.250 176.600 -0.124 0.000 1.033 471 K CA -0.071 56.179 56.287 -0.063 0.000 0.946 471 K CB 1.102 33.589 32.500 -0.021 0.000 1.005 471 K HN 0.437 nan 8.250 nan 0.000 0.469 472 S N 3.097 118.601 115.700 -0.327 0.000 2.482 472 S HA 0.634 5.103 4.470 -0.001 0.000 0.303 472 S C -0.846 173.490 174.600 -0.441 0.000 1.091 472 S CA -0.610 57.466 58.200 -0.206 0.000 1.057 472 S CB 0.570 63.715 63.200 -0.091 0.000 1.031 472 S HN 0.353 nan 8.310 nan 0.000 0.485 473 F N 0.956 120.929 119.950 0.038 0.000 2.654 473 F HA 0.555 5.081 4.527 -0.001 0.000 0.334 473 F C -0.682 175.178 175.800 0.101 0.000 1.078 473 F CA -1.080 56.957 58.000 0.062 0.000 0.986 473 F CB 0.930 39.951 39.000 0.035 0.000 1.362 473 F HN 0.497 nan 8.300 nan 0.000 0.498 474 Y N 2.259 122.685 120.300 0.210 0.000 2.331 474 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 474 Y C -0.739 175.211 175.900 0.082 0.000 0.960 474 Y CA -1.152 57.008 58.100 0.100 0.000 1.130 474 Y CB 0.996 39.489 38.460 0.055 0.000 1.164 474 Y HN 0.534 nan 8.280 nan 0.000 0.458 475 N N 3.692 122.163 118.700 -0.381 0.000 2.750 475 N HA 0.099 4.839 4.740 -0.001 0.000 0.253 475 N C -0.548 174.753 175.510 -0.348 0.000 1.408 475 N CA -0.432 52.489 53.050 -0.215 0.000 0.780 475 N CB 0.582 38.997 38.487 -0.119 0.000 1.191 475 N HN 0.627 nan 8.380 nan 0.000 0.511 476 D N 0.569 120.751 120.400 -0.363 0.000 2.384 476 D HA -0.098 4.542 4.640 -0.001 0.000 0.222 476 D C 1.101 177.362 176.300 -0.064 0.000 0.976 476 D CA 0.782 54.661 54.000 -0.201 0.000 0.915 476 D CB 0.415 41.286 40.800 0.118 0.000 0.896 476 D HN 0.416 nan 8.370 nan 0.000 0.523 477 Q N -0.076 119.701 119.800 -0.038 0.000 2.500 477 Q HA 0.042 4.381 4.340 -0.001 0.000 0.213 477 Q C 0.544 176.579 176.000 0.058 0.000 0.974 477 Q CA 0.145 55.974 55.803 0.045 0.000 0.918 477 Q CB -0.246 28.516 28.738 0.040 0.000 0.980 477 Q HN 0.187 nan 8.270 nan 0.000 0.505 478 A N 0.124 122.933 122.820 -0.019 0.000 2.440 478 A HA 0.296 4.615 4.320 -0.001 0.000 0.251 478 A C 1.221 178.825 177.584 0.034 0.000 1.089 478 A CA 0.079 52.103 52.037 -0.020 0.000 0.779 478 A CB 0.512 19.463 19.000 -0.082 0.000 1.022 478 A HN 0.136 nan 8.150 nan 0.000 0.492 479 V N 0.460 120.396 119.914 0.037 0.000 2.070 479 V HA -0.333 3.786 4.120 -0.001 0.000 0.100 479 V C 1.032 177.191 176.094 0.107 0.000 0.533 479 V CA 2.597 64.930 62.300 0.054 0.000 1.406 479 V CB -2.706 29.145 31.823 0.047 0.000 1.610 479 V HN 1.169 nan 8.190 nan 0.000 0.921 480 Y N -0.606 119.702 120.300 0.013 0.000 2.498 480 Y HA 0.314 4.864 4.550 -0.001 0.000 0.259 480 Y C 2.101 178.024 175.900 0.037 0.000 1.086 480 Y CA 1.560 59.677 58.100 0.029 0.000 1.287 480 Y CB 0.863 39.336 38.460 0.021 0.000 1.146 480 Y HN 0.186 nan 8.280 nan 0.000 0.523 481 S N -0.168 115.620 115.700 0.147 0.000 2.387 481 S HA -0.146 4.323 4.470 -0.001 0.000 0.221 481 S C 2.053 176.675 174.600 0.037 0.000 1.041 481 S CA 1.089 59.340 58.200 0.086 0.000 0.959 481 S CB -0.424 62.815 63.200 0.065 0.000 0.843 481 S HN 0.700 nan 8.310 nan 0.000 0.488 482 Q N 0.358 120.171 119.800 0.021 0.000 2.133 482 Q HA -0.207 4.133 4.340 -0.001 0.000 0.208 482 Q C 2.124 178.138 176.000 0.024 0.000 0.991 482 Q CA 1.978 57.785 55.803 0.007 0.000 0.867 482 Q CB -0.505 28.233 28.738 0.001 0.000 0.911 482 Q HN 0.527 nan 8.270 nan 0.000 0.417 483 L N 0.493 121.729 121.223 0.023 0.000 2.012 483 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 483 L C 2.191 179.171 176.870 0.184 0.000 1.073 483 L CA 1.785 56.657 54.840 0.053 0.000 0.748 483 L CB -0.211 41.796 42.059 -0.088 0.000 0.891 483 L HN 0.382 nan 8.230 nan 0.000 0.431 484 I N -1.633 118.991 120.570 0.089 0.000 2.703 484 I HA -0.096 4.073 4.170 -0.001 0.000 0.259 484 I C 2.551 178.775 176.117 0.179 0.000 1.151 484 I CA 0.361 61.764 61.300 0.171 0.000 1.470 484 I CB -0.297 37.727 38.000 0.039 0.000 1.112 484 I HN 0.221 nan 8.210 nan 0.000 0.437 485 R N 1.298 121.848 120.500 0.084 0.000 2.105 485 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 485 R C 2.167 178.469 176.300 0.003 0.000 1.135 485 R CA 1.738 57.861 56.100 0.038 0.000 0.967 485 R CB -0.119 30.183 30.300 0.003 0.000 0.861 485 R HN 0.429 nan 8.270 nan 0.000 0.442 486 Q N -0.950 118.820 119.800 -0.050 0.000 2.170 486 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 486 Q C 1.717 177.469 176.000 -0.414 0.000 0.976 486 Q CA 1.678 57.324 55.803 -0.262 0.000 0.858 486 Q CB -0.019 28.518 28.738 -0.335 0.000 0.907 486 Q HN 0.375 nan 8.270 nan 0.000 0.433 487 F N -0.737 119.157 119.950 -0.094 0.000 2.335 487 F HA -0.047 4.479 4.527 -0.001 0.000 0.296 487 F C 2.448 178.211 175.800 -0.062 0.000 1.091 487 F CA 0.855 58.809 58.000 -0.077 0.000 1.399 487 F CB -0.348 38.630 39.000 -0.037 0.000 1.067 487 F HN -0.058 nan 8.300 nan 0.000 0.520 488 T N -0.349 114.284 114.554 0.132 0.000 2.708 488 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 488 T C 1.071 175.783 174.700 0.020 0.000 1.037 488 T CA 1.417 63.557 62.100 0.067 0.000 1.146 488 T CB -0.589 68.310 68.868 0.052 0.000 0.865 488 T HN 0.227 nan 8.240 nan 0.000 0.435 489 S N 1.964 117.656 115.700 -0.013 0.000 2.474 489 S HA 0.339 4.808 4.470 -0.001 0.000 0.276 489 S C 0.950 175.499 174.600 -0.085 0.000 1.227 489 S CA -0.562 57.620 58.200 -0.029 0.000 1.050 489 S CB 0.392 63.587 63.200 -0.008 0.000 0.939 489 S HN 0.318 nan 8.310 nan 0.000 0.490 490 L N 2.382 123.571 121.223 -0.056 0.000 2.642 490 L HA 0.026 4.365 4.340 -0.001 0.000 0.236 490 L C 0.477 177.272 176.870 -0.126 0.000 1.169 490 L CA 0.402 55.200 54.840 -0.069 0.000 0.851 490 L CB -1.209 40.836 42.059 -0.023 0.000 0.968 490 L HN 0.702 nan 8.230 nan 0.000 0.453 491 T N -3.182 111.268 114.554 -0.173 0.000 2.909 491 T HA 0.301 4.651 4.350 -0.001 0.000 0.299 491 T C -0.361 174.177 174.700 -0.270 0.000 1.073 491 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 491 T CB 1.515 70.331 68.868 -0.087 0.000 1.098 491 T HN -0.006 nan 8.240 nan 0.000 0.477 492 H N 0.752 119.773 119.070 -0.082 0.000 2.727 492 H HA 0.295 4.850 4.556 -0.001 0.000 0.312 492 H C 1.595 176.862 175.328 -0.101 0.000 1.204 492 H CA -0.310 55.691 56.048 -0.078 0.000 1.122 492 H CB -0.635 29.079 29.762 -0.079 0.000 1.453 492 H HN 0.276 nan 8.280 nan 0.000 0.514 493 V N -0.490 119.359 119.914 -0.109 0.000 2.380 493 V HA -0.300 3.819 4.120 -0.001 0.000 0.251 493 V C 1.496 177.332 176.094 -0.430 0.000 1.063 493 V CA 1.859 63.969 62.300 -0.315 0.000 1.055 493 V CB -0.497 30.987 31.823 -0.565 0.000 0.657 493 V HN 0.515 nan 8.190 nan 0.000 0.455 494 F N -0.389 119.525 119.950 -0.060 0.000 2.569 494 F HA 0.141 4.667 4.527 -0.001 0.000 0.295 494 F C 1.926 177.648 175.800 -0.131 0.000 1.115 494 F CA 0.847 58.792 58.000 -0.092 0.000 1.450 494 F CB -0.217 38.739 39.000 -0.074 0.000 1.107 494 F HN 0.160 nan 8.300 nan 0.000 0.563 495 N N 0.391 119.129 118.700 0.063 0.000 2.276 495 N HA 0.045 4.784 4.740 -0.001 0.000 0.212 495 N C 1.232 176.708 175.510 -0.058 0.000 1.127 495 N CA -0.012 53.042 53.050 0.006 0.000 0.834 495 N CB -0.157 38.378 38.487 0.080 0.000 1.014 495 N HN 0.006 nan 8.380 nan 0.000 0.491 496 R N -0.396 120.019 120.500 -0.143 0.000 2.338 496 R HA -0.222 4.118 4.340 -0.001 0.000 0.272 496 R C 0.046 176.559 176.300 0.355 0.000 1.180 496 R CA 1.466 57.542 56.100 -0.041 0.000 1.020 496 R CB -0.571 29.605 30.300 -0.207 0.000 0.885 496 R HN 0.394 nan 8.270 nan 0.000 0.488 497 F N 0.642 120.602 119.950 0.016 0.000 2.798 497 F HA 0.252 4.778 4.527 -0.001 0.000 0.333 497 F C -1.463 174.355 175.800 0.030 0.000 1.324 497 F CA -2.280 55.731 58.000 0.019 0.000 1.183 497 F CB 0.896 39.910 39.000 0.023 0.000 1.132 497 F HN -0.144 nan 8.300 nan 0.000 0.521 498 P HA -0.138 nan 4.420 nan 0.000 0.261 498 P C -0.045 177.319 177.300 0.106 0.000 1.277 498 P CA 1.257 64.413 63.100 0.094 0.000 0.748 498 P CB 0.154 31.861 31.700 0.012 0.000 1.062 499 E N -1.274 119.014 120.200 0.147 0.000 2.520 499 E HA 0.046 4.396 4.350 -0.001 0.000 0.201 499 E C 0.856 177.582 176.600 0.210 0.000 0.894 499 E CA -0.256 56.230 56.400 0.143 0.000 1.161 499 E CB -0.860 28.907 29.700 0.112 0.000 1.137 499 E HN 0.041 nan 8.360 nan 0.000 0.510 500 N N 2.577 121.425 118.700 0.247 0.000 2.374 500 N HA -0.106 4.633 4.740 -0.001 0.000 0.269 500 N C 0.496 176.150 175.510 0.240 0.000 1.310 500 N CA 0.245 53.480 53.050 0.308 0.000 0.877 500 N CB 0.641 39.288 38.487 0.267 0.000 1.096 500 N HN 0.090 nan 8.380 nan 0.000 0.484 501 Q N 2.843 122.803 119.800 0.267 0.000 2.368 501 Q HA -0.105 4.235 4.340 -0.001 0.000 0.210 501 Q C 1.094 177.270 176.000 0.293 0.000 0.982 501 Q CA 1.046 57.028 55.803 0.299 0.000 0.884 501 Q CB 0.171 29.151 28.738 0.403 0.000 0.933 501 Q HN 0.666 nan 8.270 nan 0.000 0.460 502 I N -0.542 120.074 120.570 0.077 0.000 3.284 502 I HA -0.146 4.024 4.170 -0.001 0.000 0.231 502 I C 1.907 178.033 176.117 0.015 0.000 1.041 502 I CA 0.483 61.760 61.300 -0.037 0.000 1.478 502 I CB -0.841 36.986 38.000 -0.289 0.000 1.340 502 I HN 0.019 nan 8.210 nan 0.000 0.449 503 L N 1.171 122.414 121.223 0.033 0.000 2.683 503 L HA -0.178 4.161 4.340 -0.001 0.000 0.236 503 L C 1.327 178.260 176.870 0.105 0.000 1.179 503 L CA 0.118 55.034 54.840 0.126 0.000 0.822 503 L CB -1.463 40.864 42.059 0.447 0.000 0.952 503 L HN 0.276 nan 8.230 nan 0.000 0.455 504 A N 0.746 123.638 122.820 0.121 0.000 2.407 504 A HA 0.083 4.403 4.320 -0.001 0.000 0.257 504 A C 0.832 178.439 177.584 0.038 0.000 1.131 504 A CA -0.084 52.011 52.037 0.096 0.000 0.803 504 A CB 0.040 19.113 19.000 0.122 0.000 1.083 504 A HN 0.357 nan 8.150 nan 0.000 0.512 505 R N 0.440 120.958 120.500 0.030 0.000 2.216 505 R HA 0.322 4.661 4.340 -0.001 0.000 0.332 505 R C -2.605 173.700 176.300 0.009 0.000 1.056 505 R CA -1.557 54.551 56.100 0.014 0.000 0.901 505 R CB 0.122 30.436 30.300 0.024 0.000 1.039 505 R HN 0.395 nan 8.270 nan 0.000 0.456 506 P HA -0.029 nan 4.420 nan 0.000 0.266 506 P C -2.493 174.787 177.300 -0.033 0.000 1.186 506 P CA -0.542 62.548 63.100 -0.017 0.000 0.767 506 P CB 0.133 31.823 31.700 -0.017 0.000 0.820 507 P HA 0.135 nan 4.420 nan 0.000 0.271 507 P C -0.752 176.522 177.300 -0.044 0.000 1.218 507 P CA -0.002 63.079 63.100 -0.030 0.000 0.780 507 P CB 0.448 32.134 31.700 -0.023 0.000 0.901 508 A N 4.878 127.671 122.820 -0.045 0.000 2.409 508 A HA 0.477 4.796 4.320 -0.001 0.000 0.262 508 A C -2.080 175.466 177.584 -0.063 0.000 1.113 508 A CA -1.339 50.658 52.037 -0.066 0.000 0.790 508 A CB -0.589 18.370 19.000 -0.068 0.000 1.046 508 A HN 0.407 nan 8.150 nan 0.000 0.496 509 P HA 0.248 nan 4.420 nan 0.000 0.282 509 P C -0.107 177.124 177.300 -0.116 0.000 1.249 509 P CA -0.116 62.937 63.100 -0.077 0.000 0.806 509 P CB 0.949 32.604 31.700 -0.075 0.000 0.984 510 T N -0.278 114.186 114.554 -0.151 0.000 2.919 510 T HA 0.352 4.701 4.350 -0.001 0.000 0.302 510 T C 0.523 175.112 174.700 -0.184 0.000 1.031 510 T CA -0.306 61.621 62.100 -0.288 0.000 1.127 510 T CB -0.484 68.161 68.868 -0.372 0.000 0.952 510 T HN 0.328 nan 8.240 nan 0.000 0.540 511 I N 0.976 121.443 120.570 -0.172 0.000 6.568 511 I HA -0.158 4.011 4.170 -0.001 0.000 0.126 511 I C 0.766 176.888 176.117 0.008 0.000 1.827 511 I CA 0.580 61.876 61.300 -0.007 0.000 2.037 511 I CB -2.206 35.810 38.000 0.028 0.000 3.509 511 I HN 1.126 nan 8.210 nan 0.000 0.169 512 T N 0.794 115.378 114.554 0.049 0.000 2.918 512 T HA 0.857 5.206 4.350 -0.001 0.000 0.283 512 T C 0.336 175.118 174.700 0.136 0.000 1.001 512 T CA -0.607 61.521 62.100 0.047 0.000 1.041 512 T CB 1.889 70.763 68.868 0.012 0.000 1.028 512 T HN 0.422 nan 8.240 nan 0.000 0.511 513 T N 0.891 115.500 114.554 0.092 0.000 2.912 513 T HA 0.674 5.023 4.350 -0.001 0.000 0.288 513 T C -0.854 173.930 174.700 0.139 0.000 1.030 513 T CA -0.702 61.471 62.100 0.121 0.000 1.020 513 T CB 1.616 70.512 68.868 0.047 0.000 1.056 513 T HN 0.613 nan 8.240 nan 0.000 0.480 514 V N 2.182 122.211 119.914 0.193 0.000 2.711 514 V HA 0.418 4.537 4.120 -0.001 0.000 0.304 514 V C 0.071 176.288 176.094 0.205 0.000 1.097 514 V CA -1.168 61.251 62.300 0.198 0.000 0.906 514 V CB 2.180 34.122 31.823 0.199 0.000 1.015 514 V HN 1.119 nan 8.190 nan 0.000 0.427 515 S N 3.322 119.163 115.700 0.236 0.000 2.549 515 S HA 0.442 4.911 4.470 -0.001 0.000 0.286 515 S C -0.368 174.362 174.600 0.216 0.000 1.314 515 S CA -0.150 58.180 58.200 0.217 0.000 1.062 515 S CB 1.035 64.361 63.200 0.210 0.000 0.865 515 S HN 0.884 nan 8.310 nan 0.000 0.498 516 E N 2.319 122.617 120.200 0.162 0.000 2.275 516 E HA 0.238 4.587 4.350 -0.001 0.000 0.270 516 E C -1.085 175.571 176.600 0.094 0.000 0.882 516 E CA -0.712 55.754 56.400 0.109 0.000 0.758 516 E CB 1.070 30.837 29.700 0.110 0.000 1.195 516 E HN 0.764 nan 8.360 nan 0.000 0.419 517 N N 2.312 121.060 118.700 0.080 0.000 2.529 517 N HA 0.277 5.017 4.740 -0.001 0.000 0.278 517 N C -1.281 174.296 175.510 0.112 0.000 1.146 517 N CA -0.002 53.104 53.050 0.094 0.000 0.980 517 N CB 1.896 40.432 38.487 0.081 0.000 1.124 517 N HN 0.253 nan 8.380 nan 0.000 0.458 518 V N 4.246 124.219 119.914 0.097 0.000 2.808 518 V HA 0.436 4.556 4.120 -0.001 0.000 0.308 518 V C -2.371 173.781 176.094 0.096 0.000 1.099 518 V CA -1.901 60.421 62.300 0.036 0.000 0.920 518 V CB 2.561 34.274 31.823 -0.183 0.000 1.014 518 V HN 0.545 nan 8.190 nan 0.000 0.425 519 P HA 0.291 nan 4.420 nan 0.000 0.268 519 P C -0.959 176.344 177.300 0.005 0.000 1.205 519 P CA -0.091 62.962 63.100 -0.078 0.000 0.771 519 P CB 1.319 32.827 31.700 -0.321 0.000 0.858 520 A N 4.600 127.468 122.820 0.079 0.000 2.323 520 A HA 0.417 4.736 4.320 -0.001 0.000 0.305 520 A C 0.040 177.677 177.584 0.089 0.000 1.275 520 A CA -0.751 51.337 52.037 0.085 0.000 0.804 520 A CB 0.169 19.250 19.000 0.135 0.000 1.152 520 A HN 0.525 nan 8.150 nan 0.000 0.487 521 L N 3.296 124.546 121.223 0.045 0.000 2.387 521 L HA 0.186 4.525 4.340 -0.001 0.000 0.267 521 L C 1.015 177.889 176.870 0.007 0.000 1.197 521 L CA -0.052 54.804 54.840 0.027 0.000 1.070 521 L CB 0.236 42.299 42.059 0.007 0.000 1.349 521 L HN 0.796 nan 8.230 nan 0.000 0.422 522 T N 0.729 115.287 114.554 0.007 0.000 2.824 522 T HA 0.183 4.532 4.350 -0.001 0.000 0.277 522 T C -0.606 173.976 174.700 -0.196 0.000 0.975 522 T CA -0.415 61.635 62.100 -0.083 0.000 0.966 522 T CB 1.126 69.956 68.868 -0.063 0.000 1.054 522 T HN 0.510 nan 8.240 nan 0.000 0.533 523 D N 0.818 121.012 120.400 -0.344 0.000 2.613 523 D HA 0.179 4.819 4.640 -0.001 0.000 0.230 523 D C -0.841 175.206 176.300 -0.422 0.000 1.365 523 D CA -0.411 53.402 54.000 -0.313 0.000 0.976 523 D CB 0.683 41.395 40.800 -0.148 0.000 1.415 523 D HN 0.600 nan 8.370 nan 0.000 0.589 524 H N 1.058 120.068 119.070 -0.100 0.000 2.505 524 H HA 0.504 5.059 4.556 -0.001 0.000 0.358 524 H C 0.963 176.248 175.328 -0.072 0.000 1.304 524 H CA -0.339 55.654 56.048 -0.091 0.000 1.393 524 H CB 1.093 30.766 29.762 -0.148 0.000 1.591 524 H HN 0.439 nan 8.280 nan 0.000 0.595 525 G N -0.351 108.489 108.800 0.065 0.000 2.535 525 G HA2 0.213 4.172 3.960 -0.001 0.000 0.282 525 G HA3 0.213 4.172 3.960 -0.001 0.000 0.282 525 G C -0.322 174.586 174.900 0.012 0.000 1.350 525 G CA -0.505 44.607 45.100 0.020 0.000 1.039 525 G HN 0.623 nan 8.290 nan 0.000 0.509 526 T N -0.939 113.618 114.554 0.005 0.000 2.901 526 T HA 0.519 4.869 4.350 -0.001 0.000 0.301 526 T C 0.019 174.722 174.700 0.005 0.000 1.012 526 T CA -0.197 61.906 62.100 0.005 0.000 1.135 526 T CB 0.662 69.536 68.868 0.009 0.000 0.936 526 T HN 0.283 nan 8.240 nan 0.000 0.539 527 L N 3.449 124.672 121.223 0.000 0.000 2.354 527 L HA 0.527 4.866 4.340 -0.001 0.000 0.264 527 L C -2.484 174.393 176.870 0.012 0.000 1.008 527 L CA -3.051 51.786 54.840 -0.004 0.000 0.819 527 L CB 2.461 44.501 42.059 -0.032 0.000 1.339 527 L HN 0.403 nan 8.230 nan 0.000 0.420 528 P HA 0.231 nan 4.420 nan 0.000 0.269 528 P C -1.031 176.292 177.300 0.039 0.000 1.209 528 P CA 0.036 63.160 63.100 0.039 0.000 0.776 528 P CB 0.607 32.319 31.700 0.019 0.000 0.876 529 L N 2.089 123.361 121.223 0.081 0.000 2.286 529 L HA 0.559 4.898 4.340 -0.001 0.000 0.265 529 L C 0.813 177.719 176.870 0.060 0.000 1.012 529 L CA -1.153 53.716 54.840 0.048 0.000 0.818 529 L CB 1.433 43.517 42.059 0.043 0.000 1.337 529 L HN 0.208 nan 8.230 nan 0.000 0.438 530 R N 0.464 120.971 120.500 0.012 0.000 2.459 530 R HA 0.209 4.549 4.340 -0.001 0.000 0.281 530 R C -0.099 176.199 176.300 -0.004 0.000 1.050 530 R CA -0.602 55.509 56.100 0.018 0.000 1.055 530 R CB 0.587 30.881 30.300 -0.009 0.000 1.045 530 R HN 0.493 nan 8.270 nan 0.000 0.495 531 N N -0.101 118.614 118.700 0.024 0.000 2.515 531 N HA -0.065 4.674 4.740 -0.001 0.000 0.191 531 N C -0.652 174.813 175.510 -0.075 0.000 1.182 531 N CA 0.287 53.321 53.050 -0.026 0.000 0.879 531 N CB 0.385 38.910 38.487 0.062 0.000 0.984 531 N HN 0.448 nan 8.380 nan 0.000 0.453 532 S N -0.244 115.422 115.700 -0.058 0.000 2.620 532 S HA 0.418 4.888 4.470 -0.001 0.000 0.244 532 S C -0.569 173.995 174.600 -0.060 0.000 1.192 532 S CA -0.842 57.324 58.200 -0.057 0.000 1.148 532 S CB 0.179 63.361 63.200 -0.030 0.000 1.106 532 S HN 0.035 nan 8.310 nan 0.000 0.474 533 I N 3.154 123.676 120.570 -0.080 0.000 2.337 533 I HA 0.391 4.560 4.170 -0.001 0.000 0.291 533 I C 1.294 177.376 176.117 -0.059 0.000 1.046 533 I CA -0.393 60.860 61.300 -0.078 0.000 1.324 533 I CB 0.732 38.669 38.000 -0.105 0.000 1.409 533 I HN 0.842 nan 8.210 nan 0.000 0.494 534 G N 3.925 112.693 108.800 -0.053 0.000 2.554 534 G HA2 0.179 4.138 3.960 -0.001 0.000 0.238 534 G HA3 0.179 4.138 3.960 -0.001 0.000 0.238 534 G C 1.091 175.967 174.900 -0.040 0.000 1.259 534 G CA -0.002 45.073 45.100 -0.041 0.000 0.843 534 G HN 0.884 nan 8.290 nan 0.000 0.582 535 G N -0.331 108.453 108.800 -0.026 0.000 2.442 535 G HA2 0.078 4.037 3.960 -0.001 0.000 0.219 535 G HA3 0.078 4.037 3.960 -0.001 0.000 0.219 535 G C 0.801 175.687 174.900 -0.024 0.000 1.141 535 G CA 1.489 46.576 45.100 -0.022 0.000 0.763 535 G HN 1.428 nan 8.290 nan 0.000 0.554 536 V N -2.245 117.655 119.914 -0.024 0.000 2.409 536 V HA 0.662 4.781 4.120 -0.001 0.000 0.291 536 V C -1.035 175.029 176.094 -0.050 0.000 1.020 536 V CA -1.275 61.011 62.300 -0.024 0.000 0.848 536 V CB 1.768 33.587 31.823 -0.008 0.000 0.990 536 V HN 0.035 nan 8.190 nan 0.000 0.430 537 Q N 3.121 122.880 119.800 -0.068 0.000 2.257 537 Q HA 0.564 4.903 4.340 -0.001 0.000 0.262 537 Q C -0.699 175.208 176.000 -0.156 0.000 0.997 537 Q CA -0.579 55.157 55.803 -0.112 0.000 0.873 537 Q CB 2.793 31.462 28.738 -0.115 0.000 1.312 537 Q HN 0.931 nan 8.270 nan 0.000 0.450 538 R N 0.655 121.031 120.500 -0.206 0.000 2.387 538 R HA 0.548 4.887 4.340 -0.001 0.000 0.314 538 R C -1.193 174.901 176.300 -0.343 0.000 0.958 538 R CA -0.348 55.594 56.100 -0.262 0.000 0.846 538 R CB 0.952 31.113 30.300 -0.231 0.000 1.147 538 R HN 0.335 nan 8.270 nan 0.000 0.447 539 V N 3.438 123.047 119.914 -0.509 0.000 2.547 539 V HA 0.525 4.645 4.120 -0.001 0.000 0.299 539 V C -0.338 175.575 176.094 -0.301 0.000 1.040 539 V CA -0.410 61.612 62.300 -0.463 0.000 0.913 539 V CB 2.076 33.426 31.823 -0.789 0.000 0.992 539 V HN 0.858 nan 8.190 nan 0.000 0.449 540 T N 5.431 119.938 114.554 -0.079 0.000 3.293 540 T HA 0.504 4.853 4.350 -0.001 0.000 0.320 540 T C -0.726 173.969 174.700 -0.009 0.000 0.995 540 T CA -0.187 61.920 62.100 0.011 0.000 1.041 540 T CB 0.699 69.642 68.868 0.124 0.000 1.058 540 T HN 0.386 nan 8.240 nan 0.000 0.453 541 I N 3.616 124.124 120.570 -0.103 0.000 2.321 541 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 541 I C 0.514 176.563 176.117 -0.113 0.000 0.998 541 I CA -0.435 60.707 61.300 -0.264 0.000 1.227 541 I CB 1.619 39.336 38.000 -0.471 0.000 1.368 541 I HN 0.507 nan 8.210 nan 0.000 0.466 542 T N 3.683 118.192 114.554 -0.076 0.000 2.940 542 T HA 0.374 4.724 4.350 -0.001 0.000 0.288 542 T C -0.548 174.106 174.700 -0.076 0.000 1.045 542 T CA -0.746 61.323 62.100 -0.052 0.000 1.018 542 T CB 1.989 70.827 68.868 -0.050 0.000 1.151 542 T HN 0.661 nan 8.240 nan 0.000 0.529 543 D N -0.596 119.756 120.400 -0.080 0.000 2.506 543 D HA 0.500 5.140 4.640 -0.001 0.000 0.254 543 D C 1.481 177.635 176.300 -0.243 0.000 1.089 543 D CA -0.545 53.405 54.000 -0.082 0.000 1.050 543 D CB 1.119 41.948 40.800 0.049 0.000 1.221 543 D HN 0.503 nan 8.370 nan 0.000 0.589 544 A N 0.478 123.189 122.820 -0.181 0.000 1.915 544 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 544 A C 2.056 179.530 177.584 -0.183 0.000 1.198 544 A CA 1.782 53.705 52.037 -0.191 0.000 0.647 544 A CB -0.709 18.260 19.000 -0.053 0.000 0.825 544 A HN 0.644 nan 8.150 nan 0.000 0.456 545 R N -1.893 118.533 120.500 -0.123 0.000 2.310 545 R HA 0.120 4.460 4.340 -0.001 0.000 0.202 545 R C -0.416 175.841 176.300 -0.072 0.000 0.933 545 R CA -0.061 55.996 56.100 -0.072 0.000 1.054 545 R CB 0.226 30.498 30.300 -0.048 0.000 0.985 545 R HN 0.300 nan 8.270 nan 0.000 0.489 546 R N 1.165 121.592 120.500 -0.122 0.000 2.598 546 R HA -0.127 4.213 4.340 -0.001 0.000 0.323 546 R C -1.047 175.229 176.300 -0.039 0.000 0.993 546 R CA 0.694 56.735 56.100 -0.098 0.000 0.724 546 R CB -1.698 28.558 30.300 -0.074 0.000 2.060 546 R HN 0.629 nan 8.270 nan 0.000 0.470 547 R N -2.065 118.427 120.500 -0.014 0.000 2.644 547 R HA 0.291 4.631 4.340 -0.001 0.000 0.257 547 R C -0.214 176.095 176.300 0.015 0.000 1.082 547 R CA -0.517 55.593 56.100 0.015 0.000 0.927 547 R CB 0.594 30.936 30.300 0.070 0.000 1.258 547 R HN 0.253 nan 8.270 nan 0.000 0.459 548 T N -1.009 113.531 114.554 -0.023 0.000 2.854 548 T HA -0.004 4.345 4.350 -0.001 0.000 0.336 548 T C 0.298 174.924 174.700 -0.124 0.000 1.095 548 T CA -0.231 61.837 62.100 -0.054 0.000 1.118 548 T CB 0.676 69.504 68.868 -0.066 0.000 1.025 548 T HN 0.708 nan 8.240 nan 0.000 0.549 549 C N 5.687 124.907 119.300 -0.134 0.000 2.291 549 C HA 0.553 5.013 4.460 -0.001 0.000 0.322 549 C C -1.278 173.549 174.990 -0.271 0.000 1.205 549 C CA -1.852 57.036 59.018 -0.217 0.000 1.495 549 C CB 0.150 27.909 27.740 0.032 0.000 2.127 549 C HN 0.807 nan 8.230 nan 0.000 0.452 550 P HA -0.142 nan 4.420 nan 0.000 0.218 550 P C 0.200 177.193 177.300 -0.511 0.000 1.146 550 P CA 1.563 64.343 63.100 -0.534 0.000 0.820 550 P CB -0.108 31.137 31.700 -0.758 0.000 0.778 551 Y N -1.499 118.705 120.300 -0.160 0.000 2.471 551 Y HA 0.105 4.654 4.550 -0.001 0.000 0.321 551 Y C 0.674 176.559 175.900 -0.025 0.000 1.195 551 Y CA -0.375 57.688 58.100 -0.062 0.000 1.272 551 Y CB -0.600 37.857 38.460 -0.005 0.000 1.097 551 Y HN -0.257 nan 8.280 nan 0.000 0.507 552 V N 0.656 120.594 119.914 0.040 0.000 2.383 552 V HA -0.016 4.103 4.120 -0.001 0.000 0.275 552 V C 0.453 176.627 176.094 0.135 0.000 1.036 552 V CA -0.613 61.734 62.300 0.078 0.000 0.889 552 V CB 0.764 32.617 31.823 0.049 0.000 0.985 552 V HN 0.331 nan 8.190 nan 0.000 0.459 553 Y N 4.772 125.101 120.300 0.048 0.000 2.479 553 Y HA 0.428 4.978 4.550 -0.001 0.000 0.283 553 Y C 0.702 176.763 175.900 0.268 0.000 1.109 553 Y CA 0.346 58.525 58.100 0.132 0.000 1.239 553 Y CB 0.461 38.915 38.460 -0.010 0.000 1.108 553 Y HN 0.509 nan 8.280 nan 0.000 0.548 554 K N 1.272 121.544 120.400 -0.214 0.000 2.535 554 K HA 0.703 5.022 4.320 -0.001 0.000 0.251 554 K C -1.983 174.559 176.600 -0.096 0.000 0.942 554 K CA -0.341 55.714 56.287 -0.387 0.000 0.798 554 K CB 1.671 33.889 32.500 -0.470 0.000 1.267 554 K HN 0.166 nan 8.250 nan 0.000 0.434 555 A N 3.527 126.279 122.820 -0.112 0.000 2.455 555 A HA 0.847 5.167 4.320 -0.001 0.000 0.300 555 A C -1.832 175.876 177.584 0.207 0.000 1.040 555 A CA -0.611 51.522 52.037 0.161 0.000 0.697 555 A CB 0.709 19.835 19.000 0.210 0.000 1.265 555 A HN 0.958 nan 8.150 nan 0.000 0.407 556 L N -0.787 120.620 121.223 0.307 0.000 2.672 556 L HA 0.964 5.304 4.340 -0.001 0.000 0.256 556 L C -0.369 176.596 176.870 0.158 0.000 0.946 556 L CA 0.003 54.981 54.840 0.229 0.000 0.889 556 L CB 1.169 43.290 42.059 0.103 0.000 1.441 556 L HN 1.352 nan 8.230 nan 0.000 0.418 557 G N 1.159 110.015 108.800 0.094 0.000 2.672 557 G HA2 0.818 4.778 3.960 -0.001 0.000 0.292 557 G HA3 0.818 4.778 3.960 -0.001 0.000 0.292 557 G C -1.622 173.285 174.900 0.012 0.000 1.375 557 G CA -0.854 44.234 45.100 -0.020 0.000 0.890 557 G HN 0.721 nan 8.290 nan 0.000 0.476 558 I N 0.807 121.359 120.570 -0.029 0.000 2.436 558 I HA 0.408 4.578 4.170 -0.001 0.000 0.289 558 I C -0.569 175.470 176.117 -0.128 0.000 1.010 558 I CA -0.976 60.289 61.300 -0.058 0.000 1.098 558 I CB 2.185 40.180 38.000 -0.008 0.000 1.266 558 I HN 0.064 nan 8.210 nan 0.000 0.434 559 V N 4.583 124.385 119.914 -0.185 0.000 2.555 559 V HA 0.442 4.561 4.120 -0.001 0.000 0.302 559 V C -0.188 175.801 176.094 -0.174 0.000 1.038 559 V CA -0.506 61.701 62.300 -0.156 0.000 0.887 559 V CB 1.958 33.696 31.823 -0.141 0.000 0.991 559 V HN 0.806 nan 8.190 nan 0.000 0.434 560 S N 5.801 121.435 115.700 -0.109 0.000 2.542 560 S HA 0.433 4.902 4.470 -0.001 0.000 0.245 560 S C -2.580 172.014 174.600 -0.012 0.000 1.325 560 S CA -1.219 56.933 58.200 -0.081 0.000 1.176 560 S CB 1.082 64.245 63.200 -0.062 0.000 1.045 560 S HN 0.636 nan 8.310 nan 0.000 0.481 561 P HA 0.327 nan 4.420 nan 0.000 0.272 561 P C -0.515 176.952 177.300 0.279 0.000 1.230 561 P CA -0.360 62.815 63.100 0.125 0.000 0.788 561 P CB 0.600 32.309 31.700 0.014 0.000 0.949 562 R N -0.601 120.159 120.500 0.432 0.000 2.687 562 R HA 0.421 4.761 4.340 -0.001 0.000 0.265 562 R C -1.293 175.018 176.300 0.017 0.000 1.048 562 R CA -1.003 55.271 56.100 0.289 0.000 0.884 562 R CB 0.042 30.407 30.300 0.108 0.000 1.258 562 R HN 0.089 nan 8.270 nan 0.000 0.469 563 V N 2.651 122.305 119.914 -0.434 0.000 2.999 563 V HA 0.035 4.154 4.120 -0.001 0.000 0.307 563 V C 1.065 176.976 176.094 -0.305 0.000 1.084 563 V CA 0.322 62.216 62.300 -0.676 0.000 1.155 563 V CB 0.669 32.094 31.823 -0.662 0.000 0.975 563 V HN 0.720 nan 8.190 nan 0.000 0.490 564 L N 1.777 122.838 121.223 -0.269 0.000 3.017 564 L HA 0.311 4.650 4.340 -0.001 0.000 0.265 564 L C 0.475 177.292 176.870 -0.089 0.000 1.128 564 L CA 0.630 55.400 54.840 -0.118 0.000 0.984 564 L CB 0.930 42.965 42.059 -0.040 0.000 1.464 564 L HN 0.921 nan 8.230 nan 0.000 0.556 565 S N -1.067 114.564 115.700 -0.116 0.000 2.690 565 S HA 0.375 4.844 4.470 -0.001 0.000 0.264 565 S C -0.956 173.574 174.600 -0.116 0.000 1.040 565 S CA -0.414 57.743 58.200 -0.071 0.000 0.869 565 S CB 0.970 64.182 63.200 0.020 0.000 1.132 565 S HN 0.052 nan 8.310 nan 0.000 0.474 566 S N 0.027 115.667 115.700 -0.100 0.000 2.677 566 S HA 0.846 5.315 4.470 -0.001 0.000 0.304 566 S C -0.307 174.200 174.600 -0.154 0.000 1.108 566 S CA -1.214 56.889 58.200 -0.162 0.000 0.944 566 S CB 1.357 64.478 63.200 -0.132 0.000 1.127 566 S HN 0.911 nan 8.310 nan 0.000 0.511 567 R N 0.000 120.375 120.500 -0.208 0.000 2.786 567 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 567 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 567 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 567 R HN 0.000 nan 8.270 nan 0.000 0.535