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 3hvo_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCGPEEEK LPINPLSNSL MRFHNKVYST TSRSASLRAK DATA SEQUENCE KVTFDRVQVL DAHYDSVLQD VKRAASKVSA RLLTVEEACA LTPPHSAKSR DATA SEQUENCE YGFGAKEVRS LSRRAVNHIR SVWEDLLEDQ HTPIDTTIMA KNEVFCIDPX DATA SEQUENCE XXXKKPARLI VYPDLGVRVC EKMALYDIAQ KLPKAIMGPS YGFQYSPAER DATA SEQUENCE VDFLLKAWGS KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPQEAR DATA SEQUENCE TVIHSLTERL YVGGPMTNSK GQSCGYRRCR ASGVFTTSMG NTMTCYIKAL DATA SEQUENCE AACKAAGIVD PVMLVCGDDL VVISESQGNE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDLPRPEYDL ELITSCSSNV SVALDSRGRR RYFLTRDPTT PITRAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVIMTHFF SILLAQDTLN QNLNFEMYGA DATA SEQUENCE VYSVNPLDLP AIIERLHGLE AFSLHTYSPH ELSRVAATLR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LIAQGARAAI CGRYLFNWAV KTKLKLTPLP EASRLDLSGW DATA SEQUENCE FTVGAGGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.573 174.600 -0.046 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 2 M N 3.290 122.860 119.600 -0.050 0.000 2.228 2 M HA 0.248 4.728 4.480 -0.000 0.000 0.351 2 M C 1.951 178.148 176.300 -0.173 0.000 1.233 2 M CA 0.088 55.347 55.300 -0.069 0.000 1.129 2 M CB 0.596 33.181 32.600 -0.025 0.000 1.604 2 M HN 1.074 nan 8.290 nan 0.000 0.457 3 S N 2.876 118.398 115.700 -0.297 0.000 2.383 3 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 3 S C 0.091 174.253 174.600 -0.730 0.000 1.030 3 S CA 0.993 58.868 58.200 -0.542 0.000 1.002 3 S CB -0.190 62.575 63.200 -0.725 0.000 0.829 3 S HN 0.637 nan 8.310 nan 0.000 0.467 4 Y N 0.823 121.000 120.300 -0.206 0.000 2.534 4 Y HA 0.569 5.119 4.550 -0.000 0.000 0.345 4 Y C 0.148 175.814 175.900 -0.391 0.000 1.031 4 Y CA -0.929 56.950 58.100 -0.369 0.000 1.022 4 Y CB 1.842 39.970 38.460 -0.554 0.000 1.292 4 Y HN 0.159 nan 8.280 nan 0.000 0.459 5 T N -2.514 111.844 114.554 -0.327 0.000 2.942 5 T HA 0.760 5.110 4.350 -0.000 0.000 0.289 5 T C -1.382 172.977 174.700 -0.567 0.000 1.044 5 T CA -0.875 61.051 62.100 -0.289 0.000 1.023 5 T CB 1.529 70.351 68.868 -0.077 0.000 1.123 5 T HN 0.550 nan 8.240 nan 0.000 0.512 6 W N 0.325 121.676 121.300 0.084 0.000 2.998 6 W HA 0.444 5.104 4.660 0.000 0.000 0.335 6 W C 1.233 177.778 176.519 0.043 0.000 1.110 6 W CA -0.766 56.611 57.345 0.055 0.000 1.230 6 W CB 2.009 31.488 29.460 0.031 0.000 1.405 6 W HN 0.939 nan 8.180 nan 0.000 0.493 7 T N -1.835 112.873 114.554 0.257 0.000 3.043 7 T HA 0.274 4.624 4.350 -0.000 0.000 0.263 7 T C 1.525 176.309 174.700 0.141 0.000 1.094 7 T CA 1.089 63.283 62.100 0.157 0.000 1.127 7 T CB -0.035 68.902 68.868 0.116 0.000 0.905 7 T HN 1.296 nan 8.240 nan 0.000 0.490 8 G N 1.255 110.155 108.800 0.167 0.000 2.232 8 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.226 8 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.226 8 G C 0.384 175.321 174.900 0.062 0.000 0.996 8 G CA -0.133 45.022 45.100 0.090 0.000 0.626 8 G HN 1.151 nan 8.290 nan 0.000 0.509 9 A N 0.921 123.790 122.820 0.082 0.000 2.531 9 A HA 0.589 4.909 4.320 -0.000 0.000 0.236 9 A C 0.876 178.490 177.584 0.050 0.000 1.062 9 A CA 0.342 52.415 52.037 0.061 0.000 0.760 9 A CB 0.133 19.174 19.000 0.068 0.000 0.995 9 A HN 0.938 nan 8.150 nan 0.000 0.501 10 L N 1.738 122.973 121.223 0.020 0.000 2.453 10 L HA 0.256 4.596 4.340 -0.000 0.000 0.261 10 L C 0.096 176.972 176.870 0.011 0.000 1.179 10 L CA -0.336 54.500 54.840 -0.006 0.000 0.813 10 L CB 0.569 42.620 42.059 -0.013 0.000 1.110 10 L HN 0.563 nan 8.230 nan 0.000 0.466 11 I N 1.557 122.119 120.570 -0.013 0.000 2.347 11 I HA 0.049 4.219 4.170 -0.000 0.000 0.294 11 I C 0.524 176.647 176.117 0.011 0.000 1.090 11 I CA 0.023 61.329 61.300 0.010 0.000 1.314 11 I CB 0.346 38.341 38.000 -0.008 0.000 1.423 11 I HN 0.640 nan 8.210 nan 0.000 0.503 12 T N 4.980 119.547 114.554 0.022 0.000 2.928 12 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 12 T C -2.378 172.339 174.700 0.029 0.000 1.008 12 T CA -2.002 60.111 62.100 0.021 0.000 1.057 12 T CB 1.576 70.455 68.868 0.019 0.000 1.018 12 T HN 0.224 nan 8.240 nan 0.000 0.493 13 P HA 0.292 nan 4.420 nan 0.000 0.276 13 P C 0.464 177.784 177.300 0.035 0.000 1.252 13 P CA -0.743 62.379 63.100 0.037 0.000 0.802 13 P CB 0.950 32.673 31.700 0.037 0.000 1.035 14 C N 1.089 120.412 119.300 0.039 0.000 2.961 14 C HA 0.301 4.761 4.460 -0.000 0.000 0.287 14 C C 1.835 176.842 174.990 0.027 0.000 1.310 14 C CA 1.569 60.606 59.018 0.033 0.000 1.709 14 C CB -1.076 26.687 27.740 0.038 0.000 2.163 14 C HN 0.727 nan 8.230 nan 0.000 0.517 15 G N -0.115 108.704 108.800 0.031 0.000 3.135 15 G HA2 0.588 4.547 3.960 -0.000 0.000 0.159 15 G HA3 0.588 4.547 3.960 -0.000 0.000 0.159 15 G C -2.582 172.340 174.900 0.038 0.000 1.244 15 G CA -0.220 44.898 45.100 0.030 0.000 0.965 15 G HN 0.414 nan 8.290 nan 0.000 0.599 16 P HA 0.335 nan 4.420 nan 0.000 0.274 16 P C -1.198 176.143 177.300 0.069 0.000 1.237 16 P CA -0.036 63.094 63.100 0.050 0.000 0.793 16 P CB 1.385 33.112 31.700 0.046 0.000 0.977 17 E N 0.302 120.551 120.200 0.081 0.000 2.255 17 E HA 0.194 4.544 4.350 -0.000 0.000 0.256 17 E C -0.704 175.982 176.600 0.142 0.000 0.887 17 E CA -0.536 55.929 56.400 0.108 0.000 0.782 17 E CB 1.604 31.359 29.700 0.091 0.000 1.214 17 E HN 0.454 nan 8.360 nan 0.000 0.417 18 E N 2.907 123.228 120.200 0.202 0.000 2.290 18 E HA 0.014 4.363 4.350 -0.000 0.000 0.277 18 E C 0.244 177.062 176.600 0.364 0.000 1.035 18 E CA 0.214 56.765 56.400 0.253 0.000 0.873 18 E CB 0.708 30.562 29.700 0.256 0.000 1.029 18 E HN 0.497 nan 8.360 nan 0.000 0.419 19 E N 3.348 123.727 120.200 0.300 0.000 2.276 19 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 19 E C -0.243 176.612 176.600 0.426 0.000 0.983 19 E CA 0.570 57.157 56.400 0.311 0.000 0.861 19 E CB 0.498 30.321 29.700 0.206 0.000 0.817 19 E HN 0.328 nan 8.360 nan 0.000 0.485 20 K N 0.976 121.618 120.400 0.403 0.000 2.375 20 K HA 0.302 4.622 4.320 -0.000 0.000 0.249 20 K C -1.080 175.655 176.600 0.225 0.000 0.942 20 K CA -0.926 55.578 56.287 0.361 0.000 0.806 20 K CB 2.403 35.039 32.500 0.226 0.000 1.227 20 K HN -0.126 nan 8.250 nan 0.000 0.430 21 L N 4.613 125.997 121.223 0.268 0.000 2.462 21 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 21 L C -2.271 174.579 176.870 -0.034 0.000 1.166 21 L CA -0.930 53.897 54.840 -0.021 0.000 0.880 21 L CB 0.058 42.245 42.059 0.213 0.000 1.142 21 L HN 0.438 nan 8.230 nan 0.000 0.473 22 P HA 0.189 nan 4.420 nan 0.000 0.274 22 P C -0.786 176.409 177.300 -0.174 0.000 1.237 22 P CA -0.108 62.901 63.100 -0.150 0.000 0.793 22 P CB 0.492 32.081 31.700 -0.186 0.000 0.977 23 I N 2.256 122.675 120.570 -0.252 0.000 2.337 23 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 23 I C 0.758 176.772 176.117 -0.172 0.000 1.046 23 I CA 0.308 61.414 61.300 -0.324 0.000 1.324 23 I CB -0.141 37.604 38.000 -0.425 0.000 1.409 23 I HN 0.291 nan 8.210 nan 0.000 0.494 24 N N 8.322 126.946 118.700 -0.125 0.000 2.452 24 N HA 0.275 5.014 4.740 -0.000 0.000 0.277 24 N C -2.416 173.062 175.510 -0.053 0.000 1.078 24 N CA -1.425 51.575 53.050 -0.083 0.000 0.947 24 N CB 2.935 41.374 38.487 -0.081 0.000 1.655 24 N HN 0.058 nan 8.380 nan 0.000 0.490 25 P HA -0.027 nan 4.420 nan 0.000 0.220 25 P C 1.400 178.692 177.300 -0.013 0.000 1.148 25 P CA 0.910 63.992 63.100 -0.031 0.000 0.803 25 P CB 0.534 32.214 31.700 -0.033 0.000 0.782 26 L N -0.283 120.935 121.223 -0.008 0.000 2.179 26 L HA -0.050 4.289 4.340 -0.000 0.000 0.208 26 L C 2.580 179.499 176.870 0.081 0.000 1.096 26 L CA 1.717 56.567 54.840 0.017 0.000 0.779 26 L CB -1.128 40.929 42.059 -0.003 0.000 0.922 26 L HN 0.085 nan 8.230 nan 0.000 0.443 27 S N -1.340 114.388 115.700 0.046 0.000 2.439 27 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 27 S C 1.767 176.387 174.600 0.033 0.000 1.029 27 S CA 0.388 58.617 58.200 0.049 0.000 0.946 27 S CB -0.498 62.718 63.200 0.027 0.000 0.797 27 S HN 0.404 nan 8.310 nan 0.000 0.504 28 N N 2.201 120.910 118.700 0.015 0.000 2.223 28 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 28 N C 1.765 177.274 175.510 -0.001 0.000 1.016 28 N CA 1.637 54.692 53.050 0.009 0.000 0.863 28 N CB -0.221 38.260 38.487 -0.010 0.000 0.983 28 N HN 0.646 nan 8.380 nan 0.000 0.429 29 S N 0.310 116.013 115.700 0.005 0.000 2.447 29 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 29 S C 1.912 176.524 174.600 0.019 0.000 1.006 29 S CA 0.463 58.652 58.200 -0.019 0.000 0.957 29 S CB -0.192 63.004 63.200 -0.007 0.000 0.773 29 S HN 0.298 nan 8.310 nan 0.000 0.507 30 L N 1.048 122.317 121.223 0.077 0.000 2.168 30 L HA 0.498 4.838 4.340 -0.000 0.000 0.203 30 L C 0.408 177.349 176.870 0.118 0.000 1.078 30 L CA 1.044 55.970 54.840 0.143 0.000 0.780 30 L CB -0.226 41.700 42.059 -0.222 0.000 0.939 30 L HN 0.632 nan 8.230 nan 0.000 0.451 31 M N -2.816 116.804 119.600 0.033 0.000 2.365 31 M HA 0.392 4.872 4.480 -0.000 0.000 0.288 31 M C -0.196 176.094 176.300 -0.017 0.000 1.152 31 M CA -0.499 54.796 55.300 -0.008 0.000 0.948 31 M CB 1.740 34.350 32.600 0.017 0.000 1.729 31 M HN -0.247 nan 8.290 nan 0.000 0.487 32 R N 0.848 121.267 120.500 -0.136 0.000 2.210 32 R HA 0.209 4.549 4.340 -0.000 0.000 0.203 32 R C -0.287 176.137 176.300 0.206 0.000 1.010 32 R CA 0.744 56.819 56.100 -0.043 0.000 1.008 32 R CB 0.218 30.406 30.300 -0.185 0.000 0.923 32 R HN 0.554 nan 8.270 nan 0.000 0.469 33 F N 2.194 122.203 119.950 0.098 0.000 2.660 33 F HA 0.118 4.645 4.527 0.000 0.000 0.342 33 F C 1.266 177.078 175.800 0.020 0.000 1.195 33 F CA -1.263 56.756 58.000 0.032 0.000 1.300 33 F CB -0.863 38.147 39.000 0.016 0.000 1.616 33 F HN 0.175 nan 8.300 nan 0.000 0.592 34 H N -1.409 117.802 119.070 0.235 0.000 2.426 34 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 34 H C 1.485 176.918 175.328 0.175 0.000 1.107 34 H CA 1.834 57.985 56.048 0.171 0.000 1.298 34 H CB -0.157 29.674 29.762 0.114 0.000 1.377 34 H HN 0.136 nan 8.280 nan 0.000 0.519 35 N N 0.829 119.285 118.700 -0.407 0.000 2.453 35 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 35 N C 1.108 176.626 175.510 0.014 0.000 1.041 35 N CA 0.918 53.858 53.050 -0.183 0.000 0.900 35 N CB -0.032 38.289 38.487 -0.277 0.000 0.961 35 N HN 0.579 nan 8.380 nan 0.000 0.443 36 K N 0.160 120.602 120.400 0.069 0.000 2.432 36 K HA 0.091 4.411 4.320 -0.000 0.000 0.196 36 K C 0.138 176.888 176.600 0.250 0.000 1.038 36 K CA 0.206 56.577 56.287 0.141 0.000 0.986 36 K CB 0.564 33.153 32.500 0.148 0.000 0.782 36 K HN -0.069 nan 8.250 nan 0.000 0.485 37 V N 2.384 122.459 119.914 0.270 0.000 2.465 37 V HA 0.187 4.307 4.120 -0.000 0.000 0.279 37 V C -0.588 175.756 176.094 0.416 0.000 1.045 37 V CA -0.750 61.737 62.300 0.313 0.000 0.938 37 V CB 0.308 32.325 31.823 0.324 0.000 0.986 37 V HN 0.160 nan 8.190 nan 0.000 0.467 38 Y N 1.882 122.303 120.300 0.202 0.000 2.553 38 Y HA 0.793 5.343 4.550 0.000 0.000 0.347 38 Y C -0.369 175.542 175.900 0.019 0.000 1.019 38 Y CA -1.312 56.895 58.100 0.178 0.000 1.032 38 Y CB 1.781 40.324 38.460 0.138 0.000 1.284 38 Y HN 0.442 nan 8.280 nan 0.000 0.466 39 S N 1.707 117.391 115.700 -0.027 0.000 2.475 39 S HA 0.542 5.012 4.470 -0.000 0.000 0.298 39 S C -0.288 174.365 174.600 0.087 0.000 1.119 39 S CA -0.261 57.778 58.200 -0.268 0.000 1.085 39 S CB 0.425 63.323 63.200 -0.503 0.000 1.028 39 S HN 1.065 nan 8.310 nan 0.000 0.489 40 T N 1.994 116.607 114.554 0.099 0.000 2.900 40 T HA 0.520 4.870 4.350 -0.000 0.000 0.307 40 T C 0.401 175.166 174.700 0.109 0.000 1.065 40 T CA -0.164 62.051 62.100 0.191 0.000 1.105 40 T CB 0.681 69.675 68.868 0.210 0.000 0.979 40 T HN 0.853 nan 8.240 nan 0.000 0.544 41 T N -2.294 112.324 114.554 0.107 0.000 2.787 41 T HA 0.474 4.824 4.350 -0.000 0.000 0.297 41 T C 1.301 176.036 174.700 0.057 0.000 1.221 41 T CA -0.250 61.897 62.100 0.078 0.000 1.006 41 T CB 1.153 70.072 68.868 0.085 0.000 1.328 41 T HN 0.794 nan 8.240 nan 0.000 0.509 42 S N -0.013 115.714 115.700 0.046 0.000 2.465 42 S HA -0.125 4.345 4.470 -0.000 0.000 0.241 42 S C 1.776 176.384 174.600 0.012 0.000 1.000 42 S CA 0.594 58.810 58.200 0.027 0.000 0.964 42 S CB -0.692 62.524 63.200 0.027 0.000 0.763 42 S HN 0.724 nan 8.310 nan 0.000 0.512 43 R N 1.520 122.033 120.500 0.021 0.000 2.152 43 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 43 R C 2.137 178.433 176.300 -0.006 0.000 1.117 43 R CA 1.496 57.602 56.100 0.009 0.000 0.981 43 R CB -0.358 29.954 30.300 0.020 0.000 0.870 43 R HN 0.711 nan 8.270 nan 0.000 0.451 44 S N -0.987 114.713 115.700 0.001 0.000 2.572 44 S HA 0.258 4.728 4.470 -0.000 0.000 0.228 44 S C 1.585 176.166 174.600 -0.033 0.000 0.963 44 S CA 0.097 58.288 58.200 -0.015 0.000 0.939 44 S CB 1.007 64.209 63.200 0.003 0.000 0.804 44 S HN 0.265 nan 8.310 nan 0.000 0.480 45 A N 2.127 124.921 122.820 -0.042 0.000 1.930 45 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 45 A C 2.342 179.839 177.584 -0.145 0.000 1.175 45 A CA 1.656 53.651 52.037 -0.070 0.000 0.627 45 A CB -1.080 17.884 19.000 -0.059 0.000 0.815 45 A HN 0.550 nan 8.150 nan 0.000 0.443 46 S N -0.141 115.463 115.700 -0.159 0.000 2.402 46 S HA -0.052 4.418 4.470 -0.000 0.000 0.229 46 S C 1.745 176.236 174.600 -0.182 0.000 1.021 46 S CA 1.205 59.269 58.200 -0.227 0.000 0.974 46 S CB -0.402 62.688 63.200 -0.184 0.000 0.800 46 S HN 0.533 nan 8.310 nan 0.000 0.484 47 L N 0.750 121.906 121.223 -0.111 0.000 2.093 47 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 47 L C 2.660 179.493 176.870 -0.061 0.000 1.085 47 L CA 1.136 55.930 54.840 -0.075 0.000 0.755 47 L CB -0.387 41.642 42.059 -0.051 0.000 0.904 47 L HN 0.185 nan 8.230 nan 0.000 0.435 48 R N 0.833 121.296 120.500 -0.062 0.000 2.092 48 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 48 R C 2.215 178.488 176.300 -0.044 0.000 1.119 48 R CA 1.502 57.587 56.100 -0.026 0.000 0.970 48 R CB -0.604 29.691 30.300 -0.008 0.000 0.864 48 R HN 0.275 nan 8.270 nan 0.000 0.440 49 A N 0.976 123.691 122.820 -0.175 0.000 1.908 49 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 49 A C 2.126 179.645 177.584 -0.108 0.000 1.181 49 A CA 1.867 53.726 52.037 -0.296 0.000 0.627 49 A CB -0.611 17.845 19.000 -0.908 0.000 0.818 49 A HN 0.452 nan 8.150 nan 0.000 0.445 50 K N -0.217 120.122 120.400 -0.103 0.000 2.057 50 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 50 K C 2.176 178.849 176.600 0.121 0.000 1.049 50 K CA 1.745 58.037 56.287 0.008 0.000 0.931 50 K CB -0.201 32.287 32.500 -0.020 0.000 0.714 50 K HN 0.420 nan 8.250 nan 0.000 0.440 51 K N 0.739 121.205 120.400 0.111 0.000 2.097 51 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 51 K C 1.777 178.577 176.600 0.333 0.000 1.050 51 K CA 1.445 57.838 56.287 0.177 0.000 0.938 51 K CB 0.109 32.680 32.500 0.118 0.000 0.718 51 K HN 0.235 nan 8.250 nan 0.000 0.442 52 V N -1.346 118.750 119.914 0.304 0.000 3.623 52 V HA 0.090 4.210 4.120 -0.000 0.000 0.271 52 V C 0.271 176.530 176.094 0.275 0.000 1.248 52 V CA 0.267 62.786 62.300 0.365 0.000 1.156 52 V CB 0.080 32.101 31.823 0.329 0.000 0.870 52 V HN -0.012 nan 8.190 nan 0.000 0.453 53 T N 4.210 118.970 114.554 0.344 0.000 2.770 53 T HA 0.736 5.085 4.350 -0.000 0.000 0.297 53 T C -0.809 174.064 174.700 0.288 0.000 0.997 53 T CA -0.058 62.221 62.100 0.297 0.000 0.949 53 T CB 0.393 69.554 68.868 0.488 0.000 0.941 53 T HN 0.623 nan 8.240 nan 0.000 0.457 54 F N -0.072 119.977 119.950 0.166 0.000 2.770 54 F HA 0.619 5.146 4.527 -0.000 0.000 0.313 54 F C -1.122 174.713 175.800 0.058 0.000 1.154 54 F CA -1.612 56.447 58.000 0.098 0.000 0.923 54 F CB 0.631 39.678 39.000 0.078 0.000 1.301 54 F HN 0.195 nan 8.300 nan 0.000 0.449 55 D N 0.955 121.524 120.400 0.283 0.000 2.345 55 D HA 0.468 5.108 4.640 -0.000 0.000 0.247 55 D C -0.793 175.644 176.300 0.227 0.000 1.108 55 D CA 0.048 54.143 54.000 0.159 0.000 0.894 55 D CB 0.937 41.804 40.800 0.111 0.000 1.203 55 D HN 0.582 nan 8.370 nan 0.000 0.430 56 R N 1.367 121.939 120.500 0.120 0.000 2.514 56 R HA 0.669 5.009 4.340 -0.000 0.000 0.301 56 R C -1.015 175.317 176.300 0.054 0.000 0.962 56 R CA -0.820 55.350 56.100 0.117 0.000 0.882 56 R CB 2.029 32.370 30.300 0.068 0.000 1.143 56 R HN 0.135 nan 8.270 nan 0.000 0.452 57 V N 3.004 122.945 119.914 0.044 0.000 2.439 57 V HA 0.298 4.418 4.120 -0.000 0.000 0.277 57 V C -0.729 175.369 176.094 0.005 0.000 1.008 57 V CA -0.694 61.616 62.300 0.017 0.000 0.846 57 V CB 1.255 33.087 31.823 0.015 0.000 1.031 57 V HN 0.653 nan 8.190 nan 0.000 0.441 58 Q N 3.269 123.065 119.800 -0.006 0.000 2.271 58 Q HA 0.737 5.077 4.340 -0.000 0.000 0.258 58 Q C -1.528 174.458 176.000 -0.024 0.000 0.936 58 Q CA -0.417 55.378 55.803 -0.014 0.000 0.909 58 Q CB 2.138 30.854 28.738 -0.037 0.000 1.253 58 Q HN 0.544 nan 8.270 nan 0.000 0.440 59 V N 5.865 125.775 119.914 -0.006 0.000 2.443 59 V HA 0.380 4.500 4.120 -0.000 0.000 0.293 59 V C -0.334 175.788 176.094 0.046 0.000 1.021 59 V CA -0.642 61.656 62.300 -0.003 0.000 0.848 59 V CB 1.406 33.227 31.823 -0.004 0.000 0.998 59 V HN 0.776 nan 8.190 nan 0.000 0.424 60 L N 4.490 125.697 121.223 -0.027 0.000 2.387 60 L HA 0.788 5.128 4.340 -0.000 0.000 0.266 60 L C -0.254 176.658 176.870 0.069 0.000 1.059 60 L CA -0.455 54.347 54.840 -0.064 0.000 0.801 60 L CB 1.717 43.562 42.059 -0.356 0.000 1.223 60 L HN 0.821 nan 8.230 nan 0.000 0.456 61 D N -0.312 120.186 120.400 0.164 0.000 2.752 61 D HA 0.385 5.025 4.640 -0.000 0.000 0.313 61 D C 0.277 176.658 176.300 0.133 0.000 1.225 61 D CA -0.291 53.804 54.000 0.158 0.000 0.976 61 D CB 1.114 42.046 40.800 0.220 0.000 1.443 61 D HN 0.402 nan 8.370 nan 0.000 0.515 62 A N -0.742 122.092 122.820 0.023 0.000 1.972 62 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 62 A C 1.737 179.280 177.584 -0.067 0.000 1.169 62 A CA 1.386 53.386 52.037 -0.063 0.000 0.635 62 A CB -1.157 17.743 19.000 -0.166 0.000 0.810 62 A HN 0.636 nan 8.150 nan 0.000 0.446 63 H N -2.509 116.627 119.070 0.109 0.000 2.326 63 H HA -0.167 4.389 4.556 -0.000 0.000 0.301 63 H C 2.039 177.396 175.328 0.048 0.000 1.081 63 H CA 1.919 58.022 56.048 0.092 0.000 1.334 63 H CB -0.645 29.203 29.762 0.143 0.000 1.385 63 H HN 0.725 nan 8.280 nan 0.000 0.504 64 Y N 2.494 122.818 120.300 0.039 0.000 2.097 64 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 64 Y C 2.037 177.873 175.900 -0.107 0.000 1.152 64 Y CA 1.720 59.706 58.100 -0.190 0.000 1.136 64 Y CB -0.143 38.053 38.460 -0.441 0.000 0.975 64 Y HN 0.057 nan 8.280 nan 0.000 0.498 65 D N -0.380 120.107 120.400 0.145 0.000 2.123 65 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 65 D C 2.337 178.612 176.300 -0.042 0.000 0.992 65 D CA 1.893 55.934 54.000 0.067 0.000 0.833 65 D CB -0.508 40.336 40.800 0.072 0.000 0.954 65 D HN 0.517 nan 8.370 nan 0.000 0.455 66 S N 0.225 115.903 115.700 -0.038 0.000 2.387 66 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 66 S C 2.345 176.904 174.600 -0.068 0.000 1.026 66 S CA 0.414 58.590 58.200 -0.040 0.000 0.972 66 S CB -0.557 62.633 63.200 -0.017 0.000 0.814 66 S HN 0.080 nan 8.310 nan 0.000 0.477 67 V N 2.069 121.912 119.914 -0.119 0.000 2.295 67 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 67 V C 2.409 178.402 176.094 -0.167 0.000 1.049 67 V CA 1.650 63.861 62.300 -0.149 0.000 1.024 67 V CB -0.845 30.838 31.823 -0.233 0.000 0.648 67 V HN 0.400 nan 8.190 nan 0.000 0.447 68 L N -0.003 121.048 121.223 -0.287 0.000 2.046 68 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 68 L C 2.488 179.295 176.870 -0.104 0.000 1.077 68 L CA 2.178 56.874 54.840 -0.240 0.000 0.747 68 L CB -0.833 41.041 42.059 -0.310 0.000 0.896 68 L HN 0.404 nan 8.230 nan 0.000 0.432 69 Q N -0.921 118.833 119.800 -0.077 0.000 2.084 69 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 69 Q C 1.722 177.708 176.000 -0.023 0.000 0.978 69 Q CA 1.999 57.780 55.803 -0.037 0.000 0.844 69 Q CB -0.046 28.677 28.738 -0.025 0.000 0.898 69 Q HN 0.552 nan 8.270 nan 0.000 0.426 70 D N -0.308 120.081 120.400 -0.020 0.000 2.117 70 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 70 D C 1.973 178.280 176.300 0.012 0.000 0.987 70 D CA 1.052 55.054 54.000 0.004 0.000 0.829 70 D CB -0.185 40.628 40.800 0.022 0.000 0.961 70 D HN 0.131 nan 8.370 nan 0.000 0.460 71 V N 1.157 121.077 119.914 0.009 0.000 2.295 71 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 71 V C 2.343 178.431 176.094 -0.010 0.000 1.049 71 V CA 1.604 63.912 62.300 0.014 0.000 1.024 71 V CB -0.312 31.525 31.823 0.022 0.000 0.648 71 V HN 0.191 nan 8.190 nan 0.000 0.447 72 K N -0.482 119.907 120.400 -0.019 0.000 2.057 72 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 72 K C 2.413 179.009 176.600 -0.007 0.000 1.049 72 K CA 1.273 57.550 56.287 -0.015 0.000 0.931 72 K CB -0.263 32.227 32.500 -0.017 0.000 0.714 72 K HN 0.331 nan 8.250 nan 0.000 0.440 73 R N 0.442 120.939 120.500 -0.005 0.000 2.083 73 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 73 R C 2.385 178.685 176.300 -0.000 0.000 1.137 73 R CA 1.531 57.631 56.100 -0.000 0.000 0.951 73 R CB -0.382 29.919 30.300 0.002 0.000 0.851 73 R HN 0.211 nan 8.270 nan 0.000 0.434 74 A N 0.791 123.610 122.820 -0.001 0.000 1.933 74 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 74 A C 2.302 179.879 177.584 -0.011 0.000 1.175 74 A CA 1.653 53.686 52.037 -0.006 0.000 0.628 74 A CB -0.512 18.482 19.000 -0.010 0.000 0.814 74 A HN 0.437 nan 8.150 nan 0.000 0.444 75 A N 0.410 123.223 122.820 -0.011 0.000 2.019 75 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 75 A C 2.421 180.007 177.584 0.004 0.000 1.164 75 A CA 2.095 54.130 52.037 -0.005 0.000 0.644 75 A CB -0.950 18.051 19.000 0.001 0.000 0.805 75 A HN 1.072 nan 8.150 nan 0.000 0.449 76 S N 0.055 115.757 115.700 0.004 0.000 2.440 76 S HA -0.157 4.312 4.470 -0.000 0.000 0.238 76 S C 1.540 176.144 174.600 0.006 0.000 1.010 76 S CA 1.481 59.685 58.200 0.007 0.000 0.972 76 S CB -0.393 62.810 63.200 0.006 0.000 0.774 76 S HN 0.641 nan 8.310 nan 0.000 0.501 77 K N 0.683 121.084 120.400 0.002 0.000 2.459 77 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 77 K C -0.245 176.355 176.600 -0.000 0.000 1.030 77 K CA 0.084 56.371 56.287 0.001 0.000 1.026 77 K CB 0.131 32.630 32.500 -0.002 0.000 0.809 77 K HN 0.270 nan 8.250 nan 0.000 0.504 78 V N 1.505 121.419 119.914 0.001 0.000 2.465 78 V HA 0.119 4.239 4.120 -0.000 0.000 0.279 78 V C 0.022 176.121 176.094 0.009 0.000 1.045 78 V CA -0.435 61.865 62.300 -0.000 0.000 0.938 78 V CB 1.580 33.403 31.823 -0.002 0.000 0.986 78 V HN 0.003 nan 8.190 nan 0.000 0.467 79 S N 3.069 118.773 115.700 0.007 0.000 2.472 79 S HA 0.876 5.346 4.470 -0.000 0.000 0.303 79 S C -0.076 174.530 174.600 0.011 0.000 1.099 79 S CA -0.325 57.882 58.200 0.012 0.000 1.077 79 S CB 1.708 64.914 63.200 0.010 0.000 1.031 79 S HN 1.085 nan 8.310 nan 0.000 0.487 80 A N 2.892 125.723 122.820 0.019 0.000 2.527 80 A HA 0.928 5.248 4.320 -0.000 0.000 0.293 80 A C -0.674 176.927 177.584 0.029 0.000 1.117 80 A CA -1.083 50.966 52.037 0.020 0.000 0.723 80 A CB 1.457 20.469 19.000 0.019 0.000 1.313 80 A HN 0.891 nan 8.150 nan 0.000 0.411 81 R N -0.217 120.302 120.500 0.032 0.000 2.888 81 R HA 0.814 5.154 4.340 -0.000 0.000 0.264 81 R C -1.497 174.829 176.300 0.042 0.000 1.045 81 R CA -0.810 55.311 56.100 0.034 0.000 0.962 81 R CB 0.505 30.819 30.300 0.022 0.000 1.210 81 R HN 0.381 nan 8.270 nan 0.000 0.479 82 L N 1.440 122.685 121.223 0.036 0.000 2.417 82 L HA 0.272 4.612 4.340 -0.000 0.000 0.268 82 L C -0.243 176.607 176.870 -0.034 0.000 1.158 82 L CA -0.490 54.358 54.840 0.014 0.000 0.819 82 L CB 0.637 42.697 42.059 0.003 0.000 1.112 82 L HN 0.521 nan 8.230 nan 0.000 0.458 83 L N 1.684 122.866 121.223 -0.068 0.000 2.395 83 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 83 L C 0.875 177.635 176.870 -0.183 0.000 1.133 83 L CA 0.023 54.800 54.840 -0.104 0.000 0.812 83 L CB 1.002 42.991 42.059 -0.117 0.000 1.125 83 L HN 0.838 nan 8.230 nan 0.000 0.452 84 T N -0.667 113.792 114.554 -0.159 0.000 2.802 84 T HA 0.114 4.464 4.350 -0.000 0.000 0.305 84 T C 1.315 175.886 174.700 -0.214 0.000 1.053 84 T CA -0.082 61.906 62.100 -0.186 0.000 1.058 84 T CB 0.666 69.454 68.868 -0.133 0.000 0.988 84 T HN 0.396 nan 8.240 nan 0.000 0.539 85 V N 1.420 121.196 119.914 -0.230 0.000 2.332 85 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 85 V C 2.446 178.448 176.094 -0.154 0.000 1.055 85 V CA 2.421 64.596 62.300 -0.208 0.000 1.038 85 V CB -1.007 30.698 31.823 -0.196 0.000 0.651 85 V HN 0.983 nan 8.190 nan 0.000 0.450 86 E N 0.034 120.156 120.200 -0.131 0.000 2.110 86 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 86 E C 2.155 178.690 176.600 -0.108 0.000 0.988 86 E CA 1.770 58.106 56.400 -0.105 0.000 0.804 86 E CB -0.223 29.425 29.700 -0.087 0.000 0.745 86 E HN 0.735 nan 8.360 nan 0.000 0.458 87 E N 0.239 120.364 120.200 -0.124 0.000 2.072 87 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 87 E C 2.053 178.546 176.600 -0.178 0.000 0.985 87 E CA 0.903 57.220 56.400 -0.139 0.000 0.801 87 E CB -0.117 29.500 29.700 -0.138 0.000 0.750 87 E HN 0.291 nan 8.360 nan 0.000 0.452 88 A N 0.464 123.174 122.820 -0.184 0.000 1.969 88 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 88 A C 2.332 179.831 177.584 -0.142 0.000 1.169 88 A CA 0.880 52.801 52.037 -0.194 0.000 0.635 88 A CB -0.657 18.233 19.000 -0.183 0.000 0.810 88 A HN 0.343 nan 8.150 nan 0.000 0.445 89 C N -1.060 118.171 119.300 -0.114 0.000 2.440 89 C HA 0.080 4.540 4.460 -0.000 0.000 0.278 89 C C 3.254 178.200 174.990 -0.073 0.000 1.295 89 C CA 0.784 59.753 59.018 -0.082 0.000 1.738 89 C CB -1.193 26.500 27.740 -0.079 0.000 1.987 89 C HN 0.701 nan 8.230 nan 0.000 0.492 90 A N -0.100 122.675 122.820 -0.074 0.000 2.067 90 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 90 A C 1.898 179.477 177.584 -0.009 0.000 1.158 90 A CA 1.129 53.145 52.037 -0.035 0.000 0.661 90 A CB -0.468 18.509 19.000 -0.039 0.000 0.801 90 A HN 0.648 nan 8.150 nan 0.000 0.452 91 L N -0.002 121.172 121.223 -0.081 0.000 2.599 91 L HA 0.029 4.369 4.340 -0.000 0.000 0.230 91 L C 0.213 177.043 176.870 -0.066 0.000 1.141 91 L CA 0.018 54.799 54.840 -0.098 0.000 0.877 91 L CB -0.222 41.690 42.059 -0.245 0.000 1.009 91 L HN 0.113 nan 8.230 nan 0.000 0.447 92 T N 1.848 116.364 114.554 -0.062 0.000 2.761 92 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 92 T C -2.297 172.309 174.700 -0.157 0.000 0.934 92 T CA -1.124 60.926 62.100 -0.083 0.000 1.091 92 T CB 0.965 69.791 68.868 -0.070 0.000 0.896 92 T HN -0.133 nan 8.240 nan 0.000 0.515 93 P HA 0.123 nan 4.420 nan 0.000 0.268 93 P C -1.760 175.277 177.300 -0.438 0.000 1.204 93 P CA -1.408 61.466 63.100 -0.376 0.000 0.768 93 P CB 0.172 31.740 31.700 -0.219 0.000 0.842 94 P HA -0.155 nan 4.420 nan 0.000 0.221 94 P C 0.301 177.232 177.300 -0.615 0.000 1.145 94 P CA 1.750 64.473 63.100 -0.629 0.000 0.795 94 P CB -0.192 31.044 31.700 -0.774 0.000 0.775 95 H N -2.150 116.804 119.070 -0.193 0.000 2.486 95 H HA 0.287 4.843 4.556 -0.000 0.000 0.284 95 H C 0.454 175.710 175.328 -0.120 0.000 1.103 95 H CA -0.421 55.550 56.048 -0.128 0.000 1.089 95 H CB 0.146 29.845 29.762 -0.106 0.000 1.603 95 H HN -0.036 nan 8.280 nan 0.000 0.557 96 S N 1.360 117.019 115.700 -0.068 0.000 2.568 96 S HA 0.312 4.782 4.470 -0.000 0.000 0.282 96 S C 0.690 175.253 174.600 -0.060 0.000 1.338 96 S CA -0.527 57.627 58.200 -0.077 0.000 1.045 96 S CB 0.191 63.342 63.200 -0.082 0.000 0.873 96 S HN 0.532 nan 8.310 nan 0.000 0.516 97 A N 4.587 127.353 122.820 -0.089 0.000 2.546 97 A HA 0.233 4.553 4.320 -0.000 0.000 0.243 97 A C 0.548 178.107 177.584 -0.041 0.000 1.063 97 A CA -0.163 51.837 52.037 -0.061 0.000 0.757 97 A CB -0.172 18.778 19.000 -0.083 0.000 0.991 97 A HN 0.854 nan 8.150 nan 0.000 0.503 98 K N 2.104 122.472 120.400 -0.054 0.000 2.276 98 K HA 0.321 4.641 4.320 -0.000 0.000 0.259 98 K C 0.325 176.812 176.600 -0.189 0.000 1.001 98 K CA 0.050 56.264 56.287 -0.122 0.000 0.927 98 K CB 0.411 32.844 32.500 -0.111 0.000 0.969 98 K HN 0.439 nan 8.250 nan 0.000 0.490 99 S N -0.260 115.195 115.700 -0.409 0.000 2.601 99 S HA 0.078 4.548 4.470 -0.000 0.000 0.271 99 S C 1.008 175.343 174.600 -0.440 0.000 1.305 99 S CA -0.802 57.095 58.200 -0.505 0.000 1.022 99 S CB 0.737 63.249 63.200 -1.147 0.000 0.940 99 S HN 0.797 nan 8.310 nan 0.000 0.525 100 R N 1.886 122.126 120.500 -0.434 0.000 2.299 100 R HA 0.046 4.386 4.340 -0.000 0.000 0.197 100 R C -0.160 175.760 176.300 -0.634 0.000 0.971 100 R CA 0.933 56.725 56.100 -0.513 0.000 1.030 100 R CB -0.394 29.577 30.300 -0.549 0.000 0.932 100 R HN 0.676 nan 8.270 nan 0.000 0.477 101 Y N 1.078 121.201 120.300 -0.296 0.000 2.718 101 Y HA 0.365 4.915 4.550 -0.000 0.000 0.322 101 Y C 1.127 176.973 175.900 -0.090 0.000 1.122 101 Y CA -0.100 57.884 58.100 -0.194 0.000 1.348 101 Y CB 0.491 38.766 38.460 -0.308 0.000 1.174 101 Y HN 0.366 nan 8.280 nan 0.000 0.523 102 G N 0.415 109.172 108.800 -0.071 0.000 2.149 102 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 102 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 102 G C -0.282 174.716 174.900 0.163 0.000 1.018 102 G CA 0.271 45.398 45.100 0.044 0.000 0.728 102 G HN 0.502 nan 8.290 nan 0.000 0.508 103 F N -2.544 117.384 119.950 -0.038 0.000 2.741 103 F HA 0.856 5.383 4.527 -0.000 0.000 0.313 103 F C 0.285 176.067 175.800 -0.030 0.000 1.153 103 F CA -0.790 57.192 58.000 -0.031 0.000 0.931 103 F CB 0.689 39.671 39.000 -0.031 0.000 1.335 103 F HN 0.575 nan 8.300 nan 0.000 0.460 104 G N -0.419 108.456 108.800 0.126 0.000 3.086 104 G HA2 0.563 4.523 3.960 -0.000 0.000 0.282 104 G HA3 0.563 4.523 3.960 -0.000 0.000 0.282 104 G C 0.173 175.143 174.900 0.116 0.000 1.343 104 G CA -0.569 44.543 45.100 0.019 0.000 0.895 104 G HN 1.175 nan 8.290 nan 0.000 0.557 105 A N -0.347 122.488 122.820 0.024 0.000 1.940 105 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 105 A C 2.137 179.703 177.584 -0.029 0.000 1.176 105 A CA 2.415 54.444 52.037 -0.013 0.000 0.631 105 A CB -0.554 18.392 19.000 -0.091 0.000 0.814 105 A HN 0.617 nan 8.150 nan 0.000 0.446 106 K N -0.445 119.936 120.400 -0.031 0.000 2.032 106 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 106 K C 1.831 178.425 176.600 -0.010 0.000 1.048 106 K CA 1.939 58.201 56.287 -0.041 0.000 0.927 106 K CB -0.146 32.338 32.500 -0.026 0.000 0.712 106 K HN 0.453 nan 8.250 nan 0.000 0.441 107 E N 0.002 120.227 120.200 0.042 0.000 2.152 107 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 107 E C 1.864 178.460 176.600 -0.007 0.000 0.983 107 E CA 0.799 57.219 56.400 0.033 0.000 0.818 107 E CB 0.055 29.814 29.700 0.098 0.000 0.758 107 E HN 0.068 nan 8.360 nan 0.000 0.467 108 V N 0.909 120.847 119.914 0.040 0.000 2.261 108 V HA -0.272 3.847 4.120 -0.000 0.000 0.246 108 V C 2.103 178.173 176.094 -0.040 0.000 1.047 108 V CA 1.977 64.277 62.300 -0.000 0.000 1.015 108 V CB -0.359 31.502 31.823 0.064 0.000 0.642 108 V HN 0.207 nan 8.190 nan 0.000 0.446 109 R N 0.734 121.206 120.500 -0.046 0.000 2.115 109 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 109 R C 2.314 178.582 176.300 -0.054 0.000 1.111 109 R CA 1.544 57.607 56.100 -0.062 0.000 0.976 109 R CB -0.431 29.814 30.300 -0.092 0.000 0.870 109 R HN 0.668 nan 8.270 nan 0.000 0.445 110 S N 0.487 116.158 115.700 -0.049 0.000 2.593 110 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 110 S C 0.872 175.442 174.600 -0.051 0.000 0.966 110 S CA -0.149 58.025 58.200 -0.044 0.000 0.914 110 S CB -0.174 63.005 63.200 -0.035 0.000 0.776 110 S HN 0.347 nan 8.310 nan 0.000 0.523 111 L N 1.566 122.751 121.223 -0.063 0.000 3.608 111 L HA -0.160 4.179 4.340 -0.000 0.000 0.422 111 L C 0.506 177.326 176.870 -0.083 0.000 1.260 111 L CA 0.218 55.011 54.840 -0.078 0.000 0.889 111 L CB -3.067 38.951 42.059 -0.069 0.000 1.821 111 L HN 0.627 nan 8.230 nan 0.000 0.884 112 S N -0.401 115.245 115.700 -0.090 0.000 2.560 112 S HA 0.285 4.754 4.470 -0.000 0.000 0.284 112 S C 1.570 176.098 174.600 -0.119 0.000 1.327 112 S CA -0.484 57.663 58.200 -0.088 0.000 1.055 112 S CB 1.501 64.655 63.200 -0.075 0.000 0.868 112 S HN 0.333 nan 8.310 nan 0.000 0.506 113 R N 2.096 122.543 120.500 -0.089 0.000 2.096 113 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 113 R C 2.433 178.665 176.300 -0.114 0.000 1.127 113 R CA 1.740 57.787 56.100 -0.088 0.000 0.968 113 R CB -0.878 29.389 30.300 -0.056 0.000 0.861 113 R HN 0.871 nan 8.270 nan 0.000 0.440 114 R N 0.446 120.874 120.500 -0.120 0.000 2.081 114 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 114 R C 2.107 178.202 176.300 -0.341 0.000 1.131 114 R CA 1.563 57.581 56.100 -0.136 0.000 0.960 114 R CB -0.186 30.077 30.300 -0.061 0.000 0.856 114 R HN 0.188 nan 8.270 nan 0.000 0.436 115 A N 0.231 122.713 122.820 -0.564 0.000 1.855 115 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 115 A C 2.272 179.542 177.584 -0.523 0.000 1.191 115 A CA 1.591 52.983 52.037 -1.075 0.000 0.613 115 A CB -0.646 17.879 19.000 -0.792 0.000 0.829 115 A HN 0.225 nan 8.150 nan 0.000 0.442 116 V N 1.072 120.814 119.914 -0.286 0.000 2.343 116 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 116 V C 2.260 178.282 176.094 -0.120 0.000 1.051 116 V CA 2.135 64.334 62.300 -0.168 0.000 1.036 116 V CB -0.980 30.765 31.823 -0.131 0.000 0.654 116 V HN 0.543 nan 8.190 nan 0.000 0.451 117 N N -0.474 118.160 118.700 -0.110 0.000 2.188 117 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 117 N C 1.800 177.289 175.510 -0.035 0.000 1.018 117 N CA 1.639 54.651 53.050 -0.062 0.000 0.858 117 N CB -0.439 38.021 38.487 -0.045 0.000 0.989 117 N HN 0.721 nan 8.380 nan 0.000 0.426 118 H N 0.685 119.673 119.070 -0.137 0.000 2.326 118 H HA 0.128 4.684 4.556 -0.000 0.000 0.301 118 H C 2.072 177.383 175.328 -0.029 0.000 1.081 118 H CA 1.389 57.395 56.048 -0.070 0.000 1.334 118 H CB -0.162 29.604 29.762 0.006 0.000 1.385 118 H HN 0.075 nan 8.280 nan 0.000 0.504 119 I N 0.270 120.878 120.570 0.064 0.000 2.264 119 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 119 I C 2.765 178.893 176.117 0.018 0.000 1.111 119 I CA 1.586 62.922 61.300 0.060 0.000 1.382 119 I CB -0.329 37.688 38.000 0.029 0.000 1.060 119 I HN 0.313 nan 8.210 nan 0.000 0.418 120 R N 0.994 121.480 120.500 -0.022 0.000 2.096 120 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 120 R C 2.485 178.796 176.300 0.018 0.000 1.127 120 R CA 1.903 58.007 56.100 0.007 0.000 0.968 120 R CB -0.209 30.073 30.300 -0.030 0.000 0.861 120 R HN 0.467 nan 8.270 nan 0.000 0.440 121 S N -0.365 115.286 115.700 -0.083 0.000 2.383 121 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 121 S C 2.008 176.523 174.600 -0.142 0.000 1.026 121 S CA 1.211 59.331 58.200 -0.133 0.000 0.981 121 S CB -0.335 62.734 63.200 -0.218 0.000 0.818 121 S HN 0.165 nan 8.310 nan 0.000 0.472 122 V N 0.729 120.543 119.914 -0.166 0.000 2.358 122 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 122 V C 2.251 178.346 176.094 0.002 0.000 1.047 122 V CA 1.699 63.935 62.300 -0.108 0.000 1.035 122 V CB -1.077 30.710 31.823 -0.060 0.000 0.658 122 V HN 0.700 nan 8.190 nan 0.000 0.452 123 W N 1.286 122.525 121.300 -0.100 0.000 2.355 123 W HA -0.233 4.427 4.660 -0.000 0.000 0.309 123 W C 2.487 178.963 176.519 -0.072 0.000 1.206 123 W CA 2.300 59.600 57.345 -0.074 0.000 1.284 123 W CB -0.071 29.352 29.460 -0.062 0.000 1.145 123 W HN 0.366 nan 8.180 nan 0.000 0.502 124 E N 1.015 121.252 120.200 0.061 0.000 2.118 124 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 124 E C 1.609 178.137 176.600 -0.120 0.000 0.992 124 E CA 2.308 58.689 56.400 -0.031 0.000 0.804 124 E CB -0.762 28.945 29.700 0.012 0.000 0.741 124 E HN 0.324 nan 8.360 nan 0.000 0.458 125 D N -0.989 119.338 120.400 -0.121 0.000 2.178 125 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 125 D C 1.868 178.059 176.300 -0.181 0.000 0.974 125 D CA 0.947 54.868 54.000 -0.131 0.000 0.841 125 D CB -0.047 40.682 40.800 -0.119 0.000 0.953 125 D HN 0.283 nan 8.370 nan 0.000 0.478 126 L N -0.117 120.955 121.223 -0.252 0.000 2.141 126 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 126 L C 2.314 178.969 176.870 -0.358 0.000 1.094 126 L CA 0.500 55.142 54.840 -0.330 0.000 0.763 126 L CB -0.229 41.568 42.059 -0.436 0.000 0.908 126 L HN 0.195 nan 8.230 nan 0.000 0.437 127 L N -0.871 120.126 121.223 -0.376 0.000 2.217 127 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 127 L C 2.300 179.066 176.870 -0.173 0.000 1.107 127 L CA 1.107 55.779 54.840 -0.280 0.000 0.783 127 L CB -0.232 41.686 42.059 -0.234 0.000 0.919 127 L HN 0.276 nan 8.230 nan 0.000 0.442 128 E N -1.153 118.957 120.200 -0.151 0.000 2.166 128 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 128 E C 0.228 176.769 176.600 -0.099 0.000 0.967 128 E CA 0.198 56.538 56.400 -0.100 0.000 0.840 128 E CB 0.430 30.084 29.700 -0.077 0.000 0.795 128 E HN 0.149 nan 8.360 nan 0.000 0.470 129 D N 0.501 120.824 120.400 -0.130 0.000 2.414 129 D HA 0.093 4.733 4.640 -0.000 0.000 0.232 129 D C -0.247 175.916 176.300 -0.228 0.000 1.070 129 D CA -0.124 53.798 54.000 -0.129 0.000 0.839 129 D CB 1.213 41.957 40.800 -0.093 0.000 1.079 129 D HN -0.106 nan 8.370 nan 0.000 0.521 130 Q N 2.043 121.623 119.800 -0.366 0.000 2.220 130 Q HA 0.117 4.457 4.340 -0.000 0.000 0.205 130 Q C 0.273 175.758 176.000 -0.858 0.000 0.865 130 Q CA 0.064 55.492 55.803 -0.624 0.000 0.960 130 Q CB 0.899 29.237 28.738 -0.667 0.000 1.097 130 Q HN 0.523 nan 8.270 nan 0.000 0.493 131 H N -1.694 117.312 119.070 -0.108 0.000 3.329 131 H HA 0.127 4.683 4.556 -0.000 0.000 0.234 131 H C 0.204 175.496 175.328 -0.060 0.000 0.957 131 H CA 0.170 56.168 56.048 -0.084 0.000 1.066 131 H CB 0.655 30.385 29.762 -0.053 0.000 1.435 131 H HN -0.024 nan 8.280 nan 0.000 0.513 132 T N 5.787 120.365 114.554 0.040 0.000 2.817 132 T HA 0.142 4.492 4.350 -0.000 0.000 0.295 132 T C -2.411 172.290 174.700 0.001 0.000 0.958 132 T CA -0.928 61.187 62.100 0.026 0.000 1.157 132 T CB 1.055 69.928 68.868 0.009 0.000 0.898 132 T HN 0.030 nan 8.240 nan 0.000 0.536 133 P HA 0.131 nan 4.420 nan 0.000 0.264 133 P C -0.223 177.065 177.300 -0.021 0.000 1.183 133 P CA -0.026 63.077 63.100 0.003 0.000 0.763 133 P CB 0.341 32.077 31.700 0.060 0.000 0.807 134 I N 2.236 122.776 120.570 -0.050 0.000 2.440 134 I HA 0.149 4.319 4.170 -0.000 0.000 0.294 134 I C 0.922 177.012 176.117 -0.045 0.000 0.995 134 I CA -0.430 60.847 61.300 -0.039 0.000 1.306 134 I CB 0.827 38.797 38.000 -0.050 0.000 1.407 134 I HN 0.324 nan 8.210 nan 0.000 0.501 135 D N 3.943 124.330 120.400 -0.022 0.000 2.399 135 D HA 0.190 4.830 4.640 -0.000 0.000 0.241 135 D C -0.407 175.855 176.300 -0.063 0.000 1.133 135 D CA 0.260 54.237 54.000 -0.039 0.000 0.890 135 D CB 0.779 41.572 40.800 -0.011 0.000 1.201 135 D HN 0.607 nan 8.370 nan 0.000 0.432 136 T N -0.541 113.949 114.554 -0.107 0.000 2.906 136 T HA 0.596 4.946 4.350 -0.000 0.000 0.295 136 T C -0.316 174.250 174.700 -0.223 0.000 1.075 136 T CA -0.994 61.010 62.100 -0.161 0.000 1.005 136 T CB 1.580 70.372 68.868 -0.127 0.000 1.136 136 T HN 0.228 nan 8.240 nan 0.000 0.498 137 T N 2.107 116.411 114.554 -0.416 0.000 2.875 137 T HA 0.595 4.945 4.350 -0.000 0.000 0.284 137 T C -0.353 174.145 174.700 -0.336 0.000 0.995 137 T CA -0.608 61.242 62.100 -0.416 0.000 1.060 137 T CB 0.800 69.284 68.868 -0.640 0.000 0.967 137 T HN 0.735 nan 8.240 nan 0.000 0.476 138 I N 3.765 124.261 120.570 -0.124 0.000 2.378 138 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 138 I C -1.005 175.142 176.117 0.051 0.000 0.992 138 I CA -0.776 60.523 61.300 -0.003 0.000 1.154 138 I CB 0.656 38.687 38.000 0.051 0.000 1.315 138 I HN 0.410 nan 8.210 nan 0.000 0.448 139 M N 6.372 126.043 119.600 0.118 0.000 2.572 139 M HA 0.521 5.001 4.480 -0.000 0.000 0.299 139 M C -0.522 175.841 176.300 0.105 0.000 1.205 139 M CA -0.640 54.735 55.300 0.125 0.000 0.876 139 M CB 1.844 34.559 32.600 0.193 0.000 1.728 139 M HN 0.611 nan 8.290 nan 0.000 0.458 140 A N 2.302 125.168 122.820 0.077 0.000 2.320 140 A HA 0.442 4.762 4.320 -0.000 0.000 0.287 140 A C 0.019 177.644 177.584 0.068 0.000 1.181 140 A CA -0.452 51.623 52.037 0.064 0.000 0.831 140 A CB 0.227 19.254 19.000 0.046 0.000 1.102 140 A HN 0.745 nan 8.150 nan 0.000 0.513 141 K N 2.011 122.452 120.400 0.069 0.000 2.326 141 K HA 0.069 4.389 4.320 -0.000 0.000 0.275 141 K C -0.586 176.036 176.600 0.037 0.000 1.018 141 K CA 0.179 56.497 56.287 0.051 0.000 0.962 141 K CB 0.464 32.998 32.500 0.057 0.000 0.953 141 K HN 0.774 nan 8.250 nan 0.000 0.475 142 N N 2.897 121.598 118.700 0.001 0.000 2.527 142 N HA 0.107 4.847 4.740 -0.000 0.000 0.236 142 N C -1.218 174.210 175.510 -0.136 0.000 0.999 142 N CA -0.299 52.725 53.050 -0.043 0.000 0.935 142 N CB 0.943 39.413 38.487 -0.029 0.000 1.132 142 N HN 0.377 nan 8.380 nan 0.000 0.511 143 E N 0.989 121.087 120.200 -0.170 0.000 2.293 143 E HA 0.405 4.755 4.350 -0.000 0.000 0.270 143 E C -0.971 175.258 176.600 -0.618 0.000 0.879 143 E CA -0.942 55.247 56.400 -0.352 0.000 0.756 143 E CB 2.599 32.160 29.700 -0.232 0.000 1.208 143 E HN 0.089 nan 8.360 nan 0.000 0.428 144 V N 3.223 122.607 119.914 -0.884 0.000 2.481 144 V HA 0.496 4.616 4.120 -0.000 0.000 0.286 144 V C -0.760 174.656 176.094 -1.129 0.000 1.042 144 V CA -0.183 61.568 62.300 -0.916 0.000 0.928 144 V CB 0.221 31.548 31.823 -0.827 0.000 0.986 144 V HN 0.518 nan 8.190 nan 0.000 0.462 145 F N 2.066 121.638 119.950 -0.630 0.000 2.692 145 F HA 0.581 5.108 4.527 -0.000 0.000 0.320 145 F C 0.031 175.625 175.800 -0.342 0.000 1.123 145 F CA -0.721 56.993 58.000 -0.476 0.000 0.961 145 F CB 1.306 40.011 39.000 -0.491 0.000 1.383 145 F HN 0.498 nan 8.300 nan 0.000 0.483 146 C N 2.470 121.857 119.300 0.146 0.000 2.365 146 C HA 0.668 5.128 4.460 -0.000 0.000 0.351 146 C C 0.311 175.511 174.990 0.350 0.000 1.240 146 C CA -0.747 58.402 59.018 0.219 0.000 2.062 146 C CB -0.474 27.353 27.740 0.145 0.000 2.387 146 C HN 0.575 nan 8.230 nan 0.000 0.537 147 I N 4.698 125.490 120.570 0.369 0.000 2.710 147 I HA 0.084 4.254 4.170 -0.000 0.000 0.286 147 I C 0.275 176.470 176.117 0.130 0.000 1.181 147 I CA 0.907 62.353 61.300 0.243 0.000 1.430 147 I CB 0.301 38.362 38.000 0.102 0.000 1.367 147 I HN 0.636 nan 8.210 nan 0.000 0.577 148 D N 8.021 128.468 120.400 0.078 0.000 2.381 148 D HA 0.390 5.030 4.640 -0.000 0.000 0.235 148 D C -1.765 174.539 176.300 0.007 0.000 1.068 148 D CA -1.343 52.680 54.000 0.038 0.000 0.832 148 D CB 1.038 41.853 40.800 0.025 0.000 1.101 148 D HN 0.251 nan 8.370 nan 0.000 0.515 155 K N 1.575 121.934 120.400 -0.067 0.000 2.185 155 K HA 0.449 4.769 4.320 -0.000 0.000 0.271 155 K C -2.520 174.079 176.600 -0.002 0.000 1.013 155 K CA -1.594 54.652 56.287 -0.069 0.000 0.943 155 K CB 0.240 32.633 32.500 -0.179 0.000 0.998 155 K HN 0.035 nan 8.250 nan 0.000 0.468 156 P HA -0.000 nan 4.420 nan 0.000 0.272 156 P C -0.759 176.569 177.300 0.048 0.000 1.223 156 P CA -0.339 62.770 63.100 0.014 0.000 0.784 156 P CB 0.605 32.302 31.700 -0.006 0.000 0.923 157 A N 3.211 126.072 122.820 0.069 0.000 2.531 157 A HA 0.043 4.363 4.320 -0.000 0.000 0.236 157 A C 0.528 178.156 177.584 0.075 0.000 1.062 157 A CA 0.084 52.174 52.037 0.089 0.000 0.760 157 A CB -0.266 18.779 19.000 0.075 0.000 0.995 157 A HN 0.453 nan 8.150 nan 0.000 0.501 158 R N 0.479 121.038 120.500 0.099 0.000 2.641 158 R HA 0.322 4.662 4.340 -0.000 0.000 0.269 158 R C -0.846 175.508 176.300 0.089 0.000 1.074 158 R CA -0.588 55.571 56.100 0.098 0.000 1.133 158 R CB 0.233 30.604 30.300 0.118 0.000 1.029 158 R HN 0.477 nan 8.270 nan 0.000 0.488 159 L N 2.710 123.989 121.223 0.093 0.000 2.334 159 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 159 L C -0.207 176.739 176.870 0.127 0.000 1.036 159 L CA -0.565 54.331 54.840 0.094 0.000 0.807 159 L CB 1.130 43.231 42.059 0.069 0.000 1.231 159 L HN 0.508 nan 8.230 nan 0.000 0.438 160 I N 2.150 122.809 120.570 0.149 0.000 2.498 160 I HA 0.601 4.771 4.170 -0.000 0.000 0.290 160 I C -1.127 175.141 176.117 0.252 0.000 1.032 160 I CA -0.326 61.093 61.300 0.199 0.000 1.073 160 I CB 1.929 40.040 38.000 0.185 0.000 1.251 160 I HN 0.199 nan 8.210 nan 0.000 0.426 161 V N 8.892 128.954 119.914 0.247 0.000 2.443 161 V HA 0.528 4.648 4.120 -0.000 0.000 0.293 161 V C -1.189 175.043 176.094 0.229 0.000 1.021 161 V CA -0.521 61.878 62.300 0.165 0.000 0.848 161 V CB 0.990 32.894 31.823 0.135 0.000 0.998 161 V HN 0.658 nan 8.190 nan 0.000 0.424 162 Y N 4.716 125.055 120.300 0.065 0.000 2.534 162 Y HA 0.909 5.459 4.550 -0.000 0.000 0.345 162 Y C -3.102 172.834 175.900 0.060 0.000 1.031 162 Y CA -2.908 55.235 58.100 0.072 0.000 1.022 162 Y CB 2.015 40.515 38.460 0.066 0.000 1.292 162 Y HN 0.409 nan 8.280 nan 0.000 0.459 163 P HA 0.148 nan 4.420 nan 0.000 0.282 163 P C -0.930 176.477 177.300 0.178 0.000 1.287 163 P CA -0.199 62.957 63.100 0.094 0.000 0.792 163 P CB 1.300 33.070 31.700 0.118 0.000 1.163 164 D N -0.875 119.609 120.400 0.140 0.000 2.382 164 D HA -0.038 4.602 4.640 -0.000 0.000 0.240 164 D C 1.363 177.774 176.300 0.184 0.000 1.146 164 D CA -0.303 53.796 54.000 0.165 0.000 0.897 164 D CB 0.294 41.221 40.800 0.211 0.000 1.197 164 D HN 0.112 nan 8.370 nan 0.000 0.432 165 L N 3.613 124.916 121.223 0.133 0.000 2.051 165 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 165 L C 2.049 179.045 176.870 0.209 0.000 1.076 165 L CA 2.610 57.524 54.840 0.124 0.000 0.758 165 L CB -1.071 41.001 42.059 0.023 0.000 0.890 165 L HN 0.674 nan 8.230 nan 0.000 0.433 166 G N -1.162 107.818 108.800 0.299 0.000 2.440 166 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 166 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 166 G C 1.522 176.577 174.900 0.258 0.000 1.154 166 G CA 1.179 46.526 45.100 0.411 0.000 0.767 166 G HN 0.372 nan 8.290 nan 0.000 0.552 167 V N 0.769 120.811 119.914 0.213 0.000 2.358 167 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 167 V C 2.926 179.115 176.094 0.159 0.000 1.047 167 V CA 1.910 64.304 62.300 0.156 0.000 1.035 167 V CB -0.453 31.445 31.823 0.124 0.000 0.658 167 V HN 0.342 nan 8.190 nan 0.000 0.452 168 R N -0.278 120.322 120.500 0.167 0.000 2.096 168 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 168 R C 2.230 178.592 176.300 0.103 0.000 1.127 168 R CA 1.380 57.573 56.100 0.155 0.000 0.968 168 R CB -0.648 29.740 30.300 0.147 0.000 0.861 168 R HN 0.416 nan 8.270 nan 0.000 0.440 169 V N 0.590 120.563 119.914 0.099 0.000 2.358 169 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 169 V C 2.521 178.640 176.094 0.041 0.000 1.047 169 V CA 1.539 63.864 62.300 0.043 0.000 1.035 169 V CB -0.440 31.419 31.823 0.060 0.000 0.658 169 V HN 0.446 nan 8.190 nan 0.000 0.452 170 C N -0.069 119.311 119.300 0.134 0.000 2.425 170 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 170 C C 2.652 177.793 174.990 0.251 0.000 1.280 170 C CA 0.976 60.153 59.018 0.265 0.000 1.744 170 C CB -1.037 26.920 27.740 0.361 0.000 1.989 170 C HN 0.626 nan 8.230 nan 0.000 0.491 171 E N 0.717 121.009 120.200 0.153 0.000 2.085 171 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 171 E C 2.153 178.706 176.600 -0.078 0.000 0.994 171 E CA 1.196 57.680 56.400 0.140 0.000 0.801 171 E CB -0.139 29.709 29.700 0.246 0.000 0.743 171 E HN 0.631 nan 8.360 nan 0.000 0.453 172 K N 0.303 120.552 120.400 -0.251 0.000 2.057 172 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 172 K C 2.201 178.676 176.600 -0.208 0.000 1.049 172 K CA 1.279 57.283 56.287 -0.471 0.000 0.931 172 K CB -0.085 32.178 32.500 -0.394 0.000 0.714 172 K HN 0.110 nan 8.250 nan 0.000 0.440 173 M N 0.212 119.742 119.600 -0.116 0.000 2.108 173 M HA -0.196 4.283 4.480 -0.000 0.000 0.261 173 M C 2.419 178.735 176.300 0.026 0.000 1.066 173 M CA 1.774 56.992 55.300 -0.136 0.000 1.107 173 M CB -0.366 32.004 32.600 -0.384 0.000 1.356 173 M HN 0.239 nan 8.290 nan 0.000 0.406 174 A N -0.392 122.561 122.820 0.223 0.000 1.929 174 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 174 A C 1.844 179.502 177.584 0.124 0.000 1.176 174 A CA 1.297 53.501 52.037 0.279 0.000 0.628 174 A CB -0.258 18.919 19.000 0.294 0.000 0.816 174 A HN 0.497 nan 8.150 nan 0.000 0.444 175 L N -3.148 118.113 121.223 0.063 0.000 2.920 175 L HA 0.204 4.544 4.340 -0.000 0.000 0.257 175 L C 1.824 178.785 176.870 0.151 0.000 1.150 175 L CA 0.039 54.927 54.840 0.080 0.000 0.959 175 L CB 0.056 42.222 42.059 0.177 0.000 1.321 175 L HN 0.458 nan 8.230 nan 0.000 0.555 176 Y N 1.312 121.537 120.300 -0.126 0.000 2.181 176 Y HA -0.309 4.241 4.550 -0.000 0.000 0.288 176 Y C 2.167 178.118 175.900 0.084 0.000 1.146 176 Y CA 2.226 60.304 58.100 -0.036 0.000 1.164 176 Y CB 0.111 38.460 38.460 -0.186 0.000 0.982 176 Y HN 0.248 nan 8.280 nan 0.000 0.515 177 D N -0.144 120.272 120.400 0.028 0.000 2.097 177 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 177 D C 2.157 178.407 176.300 -0.083 0.000 0.984 177 D CA 1.742 55.715 54.000 -0.045 0.000 0.826 177 D CB -0.328 40.499 40.800 0.045 0.000 0.973 177 D HN 0.469 nan 8.370 nan 0.000 0.460 178 I N 0.538 121.087 120.570 -0.035 0.000 2.151 178 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 178 I C 2.371 178.447 176.117 -0.068 0.000 1.080 178 I CA 1.285 62.562 61.300 -0.037 0.000 1.339 178 I CB -0.298 37.676 38.000 -0.044 0.000 1.039 178 I HN 0.050 nan 8.210 nan 0.000 0.409 179 A N -0.328 122.456 122.820 -0.060 0.000 2.019 179 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 179 A C 2.188 179.675 177.584 -0.162 0.000 1.164 179 A CA 1.261 53.248 52.037 -0.083 0.000 0.644 179 A CB -0.337 18.683 19.000 0.033 0.000 0.805 179 A HN 0.426 nan 8.150 nan 0.000 0.449 180 Q N -0.613 119.043 119.800 -0.240 0.000 2.311 180 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 180 Q C 1.322 177.243 176.000 -0.131 0.000 0.954 180 Q CA 1.328 57.006 55.803 -0.208 0.000 0.885 180 Q CB 0.038 28.611 28.738 -0.274 0.000 0.963 180 Q HN 0.771 nan 8.270 nan 0.000 0.471 181 K N -0.856 119.468 120.400 -0.127 0.000 2.424 181 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 181 K C 1.899 178.419 176.600 -0.133 0.000 1.190 181 K CA -0.193 56.031 56.287 -0.104 0.000 0.935 181 K CB 0.488 32.949 32.500 -0.065 0.000 1.087 181 K HN -0.039 nan 8.250 nan 0.000 0.524 182 L N 1.842 122.987 121.223 -0.130 0.000 2.005 182 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 182 L C -0.999 175.743 176.870 -0.213 0.000 1.072 182 L CA 1.579 56.352 54.840 -0.111 0.000 0.744 182 L CB -0.681 41.367 42.059 -0.019 0.000 0.895 182 L HN 0.024 nan 8.230 nan 0.000 0.433 183 P HA -0.239 nan 4.420 nan 0.000 0.215 183 P C 1.318 178.261 177.300 -0.595 0.000 1.157 183 P CA 1.609 64.359 63.100 -0.583 0.000 0.874 183 P CB -0.028 31.034 31.700 -1.063 0.000 0.790 184 K N -0.528 119.527 120.400 -0.575 0.000 2.097 184 K HA -0.096 4.223 4.320 -0.000 0.000 0.206 184 K C 2.009 178.518 176.600 -0.150 0.000 1.049 184 K CA 1.359 57.506 56.287 -0.234 0.000 0.933 184 K CB -0.575 31.874 32.500 -0.086 0.000 0.717 184 K HN -0.041 nan 8.250 nan 0.000 0.442 185 A N 1.412 124.143 122.820 -0.148 0.000 1.933 185 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 185 A C 2.040 179.565 177.584 -0.098 0.000 1.175 185 A CA 1.658 53.639 52.037 -0.093 0.000 0.628 185 A CB -0.636 18.321 19.000 -0.072 0.000 0.814 185 A HN 0.562 nan 8.150 nan 0.000 0.444 186 I N -5.601 114.879 120.570 -0.150 0.000 2.852 186 I HA 0.164 4.333 4.170 -0.000 0.000 0.264 186 I C 2.018 177.982 176.117 -0.256 0.000 1.179 186 I CA 1.106 62.315 61.300 -0.152 0.000 1.480 186 I CB 0.033 37.948 38.000 -0.141 0.000 1.111 186 I HN 0.134 nan 8.210 nan 0.000 0.441 187 M N 0.720 120.113 119.600 -0.346 0.000 2.379 187 M HA 0.354 4.834 4.480 -0.000 0.000 0.265 187 M C 1.546 177.750 176.300 -0.161 0.000 1.095 187 M CA 0.600 55.604 55.300 -0.493 0.000 1.075 187 M CB 0.704 32.951 32.600 -0.589 0.000 1.443 187 M HN 0.501 nan 8.290 nan 0.000 0.519 188 G N 2.520 111.272 108.800 -0.080 0.000 2.672 188 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.324 188 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.324 188 G C -1.705 173.222 174.900 0.045 0.000 1.286 188 G CA 0.422 45.526 45.100 0.007 0.000 1.004 188 G HN 0.286 nan 8.290 nan 0.000 0.548 189 P HA 0.107 nan 4.420 nan 0.000 0.234 189 P C 1.510 178.844 177.300 0.057 0.000 1.167 189 P CA 1.701 64.918 63.100 0.196 0.000 0.763 189 P CB -0.058 31.873 31.700 0.384 0.000 0.835 190 S N -1.251 114.486 115.700 0.063 0.000 2.481 190 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 190 S C 0.660 175.213 174.600 -0.078 0.000 0.996 190 S CA -0.077 58.134 58.200 0.019 0.000 0.942 190 S CB -0.908 62.398 63.200 0.178 0.000 0.768 190 S HN 0.214 nan 8.310 nan 0.000 0.520 191 Y N 3.002 123.158 120.300 -0.240 0.000 2.584 191 Y HA 0.464 5.014 4.550 -0.000 0.000 0.351 191 Y C 1.163 176.847 175.900 -0.360 0.000 1.030 191 Y CA -1.369 56.568 58.100 -0.272 0.000 1.332 191 Y CB -0.065 38.253 38.460 -0.237 0.000 1.148 191 Y HN 0.018 nan 8.280 nan 0.000 0.528 192 G N 4.409 112.817 108.800 -0.653 0.000 2.464 192 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 192 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 192 G C 0.965 175.419 174.900 -0.742 0.000 1.138 192 G CA 0.127 44.840 45.100 -0.646 0.000 0.793 192 G HN 0.637 nan 8.290 nan 0.000 0.539 193 F N 1.457 120.894 119.950 -0.854 0.000 2.604 193 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 193 F C 2.850 178.432 175.800 -0.363 0.000 1.131 193 F CA 0.716 58.433 58.000 -0.471 0.000 1.457 193 F CB -0.157 38.707 39.000 -0.227 0.000 1.095 193 F HN 0.370 nan 8.300 nan 0.000 0.574 194 Q N -0.507 118.843 119.800 -0.750 0.000 2.369 194 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 194 Q C -0.444 175.391 176.000 -0.274 0.000 0.963 194 Q CA 0.950 56.507 55.803 -0.409 0.000 0.894 194 Q CB -0.447 27.983 28.738 -0.514 0.000 0.965 194 Q HN 0.280 nan 8.270 nan 0.000 0.475 195 Y N 2.243 122.510 120.300 -0.055 0.000 2.320 195 Y HA 0.258 4.808 4.550 -0.000 0.000 0.334 195 Y C 0.688 176.428 175.900 -0.266 0.000 1.055 195 Y CA -1.255 56.770 58.100 -0.124 0.000 1.143 195 Y CB 1.292 39.656 38.460 -0.160 0.000 1.193 195 Y HN 0.122 nan 8.280 nan 0.000 0.477 196 S N 3.402 118.820 115.700 -0.470 0.000 2.596 196 S HA 0.160 4.630 4.470 -0.000 0.000 0.260 196 S C -1.861 172.490 174.600 -0.416 0.000 1.336 196 S CA -0.942 56.542 58.200 -1.193 0.000 0.993 196 S CB 0.927 63.534 63.200 -0.989 0.000 0.923 196 S HN 0.425 nan 8.310 nan 0.000 0.567 197 P HA -0.164 nan 4.420 nan 0.000 0.215 197 P C 1.696 179.005 177.300 0.016 0.000 1.163 197 P CA 2.350 65.444 63.100 -0.009 0.000 0.894 197 P CB -0.409 31.373 31.700 0.136 0.000 0.791 198 A N -0.447 122.378 122.820 0.008 0.000 1.940 198 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 198 A C 2.130 179.698 177.584 -0.027 0.000 1.176 198 A CA 1.871 53.928 52.037 0.032 0.000 0.631 198 A CB -1.237 17.778 19.000 0.025 0.000 0.814 198 A HN 0.231 nan 8.150 nan 0.000 0.446 199 E N -1.028 119.132 120.200 -0.068 0.000 2.152 199 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 199 E C 2.289 178.744 176.600 -0.241 0.000 0.983 199 E CA 0.695 57.044 56.400 -0.084 0.000 0.818 199 E CB -0.123 29.610 29.700 0.055 0.000 0.758 199 E HN 0.567 nan 8.360 nan 0.000 0.467 200 R N 0.747 121.154 120.500 -0.155 0.000 2.081 200 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 200 R C 2.221 178.461 176.300 -0.100 0.000 1.131 200 R CA 1.100 57.092 56.100 -0.179 0.000 0.960 200 R CB -0.148 30.129 30.300 -0.039 0.000 0.856 200 R HN 0.047 nan 8.270 nan 0.000 0.436 201 V N 1.267 121.148 119.914 -0.056 0.000 2.295 201 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 201 V C 1.964 178.002 176.094 -0.093 0.000 1.049 201 V CA 2.315 64.585 62.300 -0.050 0.000 1.024 201 V CB -0.626 31.202 31.823 0.010 0.000 0.648 201 V HN 0.447 nan 8.190 nan 0.000 0.447 202 D N -0.680 119.669 120.400 -0.086 0.000 2.123 202 D HA -0.255 4.385 4.640 -0.000 0.000 0.196 202 D C 1.945 178.171 176.300 -0.122 0.000 0.992 202 D CA 1.518 55.457 54.000 -0.101 0.000 0.833 202 D CB -0.204 40.555 40.800 -0.069 0.000 0.954 202 D HN 0.406 nan 8.370 nan 0.000 0.455 203 F N 0.439 120.202 119.950 -0.311 0.000 2.134 203 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 203 F C 1.874 177.554 175.800 -0.201 0.000 1.097 203 F CA 1.178 58.983 58.000 -0.325 0.000 1.264 203 F CB -0.157 38.474 39.000 -0.614 0.000 1.001 203 F HN -0.008 nan 8.300 nan 0.000 0.479 204 L N -0.270 120.924 121.223 -0.049 0.000 2.056 204 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 204 L C 2.513 179.292 176.870 -0.151 0.000 1.078 204 L CA 1.047 55.834 54.840 -0.089 0.000 0.749 204 L CB -0.700 41.335 42.059 -0.040 0.000 0.901 204 L HN 0.236 nan 8.230 nan 0.000 0.433 205 L N -0.414 120.694 121.223 -0.191 0.000 2.046 205 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 205 L C 2.610 179.392 176.870 -0.147 0.000 1.077 205 L CA 1.460 56.169 54.840 -0.219 0.000 0.747 205 L CB -0.238 41.609 42.059 -0.354 0.000 0.896 205 L HN 0.203 nan 8.230 nan 0.000 0.432 206 K N -0.573 119.709 120.400 -0.196 0.000 2.097 206 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 206 K C 2.131 178.606 176.600 -0.209 0.000 1.050 206 K CA 1.154 57.329 56.287 -0.185 0.000 0.938 206 K CB -0.130 32.255 32.500 -0.191 0.000 0.718 206 K HN 0.287 nan 8.250 nan 0.000 0.442 207 A N 0.968 123.600 122.820 -0.314 0.000 1.873 207 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 207 A C 1.944 179.466 177.584 -0.104 0.000 1.186 207 A CA 1.105 52.969 52.037 -0.290 0.000 0.616 207 A CB -0.957 17.782 19.000 -0.436 0.000 0.823 207 A HN 0.575 nan 8.150 nan 0.000 0.442 208 W N 0.624 121.792 121.300 -0.219 0.000 2.335 208 W HA -0.178 4.482 4.660 -0.000 0.000 0.311 208 W C 2.134 178.579 176.519 -0.124 0.000 1.213 208 W CA 1.792 59.046 57.345 -0.152 0.000 1.274 208 W CB -0.452 28.919 29.460 -0.147 0.000 1.148 208 W HN 0.391 nan 8.180 nan 0.000 0.498 209 G N -0.121 108.694 108.800 0.025 0.000 2.443 209 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 209 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 209 G C 1.558 176.397 174.900 -0.103 0.000 1.131 209 G CA 1.278 46.353 45.100 -0.041 0.000 0.775 209 G HN 0.347 nan 8.290 nan 0.000 0.547 210 S N -0.203 115.424 115.700 -0.121 0.000 2.515 210 S HA 0.126 4.596 4.470 -0.000 0.000 0.231 210 S C 0.925 175.444 174.600 -0.135 0.000 0.987 210 S CA 0.330 58.458 58.200 -0.119 0.000 0.936 210 S CB 0.063 63.191 63.200 -0.121 0.000 0.766 210 S HN 0.077 nan 8.310 nan 0.000 0.528 211 K N 1.729 122.012 120.400 -0.195 0.000 2.130 211 K HA 0.325 4.645 4.320 -0.000 0.000 0.268 211 K C 0.743 177.224 176.600 -0.198 0.000 0.983 211 K CA -0.469 55.692 56.287 -0.211 0.000 0.893 211 K CB 1.545 33.863 32.500 -0.304 0.000 1.066 211 K HN 0.139 nan 8.250 nan 0.000 0.450 212 K N 1.291 121.605 120.400 -0.144 0.000 2.002 212 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 212 K C -0.370 176.145 176.600 -0.141 0.000 1.048 212 K CA 1.527 57.743 56.287 -0.118 0.000 0.930 212 K CB 0.296 32.746 32.500 -0.083 0.000 0.714 212 K HN 0.508 nan 8.250 nan 0.000 0.438 213 D N 1.836 122.142 120.400 -0.155 0.000 2.404 213 D HA 0.215 4.855 4.640 -0.000 0.000 0.267 213 D C -2.584 173.579 176.300 -0.227 0.000 1.194 213 D CA -1.401 52.506 54.000 -0.156 0.000 0.910 213 D CB 1.629 42.374 40.800 -0.092 0.000 1.090 213 D HN 0.194 nan 8.370 nan 0.000 0.511 214 P HA 0.086 nan 4.420 nan 0.000 0.268 214 P C -0.190 176.816 177.300 -0.490 0.000 1.205 214 P CA -0.340 62.284 63.100 -0.793 0.000 0.771 214 P CB 1.328 31.838 31.700 -1.982 0.000 0.858 215 M N 2.169 121.576 119.600 -0.322 0.000 2.386 215 M HA 0.584 5.064 4.480 -0.000 0.000 0.293 215 M C -1.115 175.193 176.300 0.013 0.000 1.120 215 M CA -0.283 54.955 55.300 -0.104 0.000 0.909 215 M CB 2.506 35.109 32.600 0.005 0.000 1.661 215 M HN 0.540 nan 8.290 nan 0.000 0.452 216 G N 3.965 112.859 108.800 0.157 0.000 2.519 216 G HA2 0.838 4.798 3.960 -0.000 0.000 0.307 216 G HA3 0.838 4.798 3.960 -0.000 0.000 0.307 216 G C -1.819 173.157 174.900 0.127 0.000 1.266 216 G CA -0.586 44.608 45.100 0.157 0.000 0.970 216 G HN 0.773 nan 8.290 nan 0.000 0.481 217 F N -0.268 119.650 119.950 -0.052 0.000 2.645 217 F HA 0.819 5.346 4.527 -0.000 0.000 0.310 217 F C -0.268 175.513 175.800 -0.031 0.000 1.102 217 F CA -1.438 56.523 58.000 -0.065 0.000 0.952 217 F CB 1.671 40.615 39.000 -0.094 0.000 1.326 217 F HN 0.633 nan 8.300 nan 0.000 0.456 218 S N 1.126 116.913 115.700 0.144 0.000 2.537 218 S HA 0.645 5.115 4.470 -0.000 0.000 0.301 218 S C -1.711 173.080 174.600 0.318 0.000 1.092 218 S CA -0.574 57.687 58.200 0.101 0.000 1.048 218 S CB 1.593 64.820 63.200 0.046 0.000 1.053 218 S HN 0.867 nan 8.310 nan 0.000 0.501 219 Y N 1.684 122.098 120.300 0.191 0.000 2.328 219 Y HA 0.481 5.031 4.550 -0.000 0.000 0.337 219 Y C -0.844 175.181 175.900 0.208 0.000 0.966 219 Y CA -0.786 57.487 58.100 0.289 0.000 1.136 219 Y CB 1.413 40.150 38.460 0.462 0.000 1.170 219 Y HN 0.870 nan 8.280 nan 0.000 0.470 220 D N 4.320 124.523 120.400 -0.328 0.000 2.412 220 D HA 0.221 4.861 4.640 -0.000 0.000 0.224 220 D C -0.811 175.314 176.300 -0.292 0.000 1.093 220 D CA -0.117 53.775 54.000 -0.180 0.000 0.850 220 D CB 0.904 41.632 40.800 -0.119 0.000 1.046 220 D HN 0.479 nan 8.370 nan 0.000 0.507 221 T N 3.618 118.185 114.554 0.022 0.000 2.832 221 T HA 0.158 4.508 4.350 -0.000 0.000 0.296 221 T C 0.492 175.276 174.700 0.140 0.000 0.968 221 T CA -0.452 61.752 62.100 0.174 0.000 1.107 221 T CB 0.655 69.855 68.868 0.554 0.000 0.916 221 T HN 0.290 nan 8.240 nan 0.000 0.517 222 R N 2.331 122.878 120.500 0.078 0.000 2.343 222 R HA 0.176 4.516 4.340 -0.000 0.000 0.326 222 R C -0.225 176.183 176.300 0.181 0.000 1.055 222 R CA -0.220 55.923 56.100 0.073 0.000 0.961 222 R CB -0.835 29.450 30.300 -0.025 0.000 0.978 222 R HN 0.931 nan 8.270 nan 0.000 0.443 223 C N 5.364 124.798 119.300 0.223 0.000 3.690 223 C HA -0.161 4.299 4.460 -0.000 0.000 0.295 223 C C 1.301 176.494 174.990 0.339 0.000 1.283 223 C CA 0.077 59.273 59.018 0.297 0.000 2.212 223 C CB -2.983 24.984 27.740 0.380 0.000 1.407 223 C HN 1.018 nan 8.230 nan 0.000 0.595 224 F N 1.875 121.938 119.950 0.188 0.000 2.087 224 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 224 F C 1.957 177.859 175.800 0.170 0.000 1.100 224 F CA 2.447 60.558 58.000 0.184 0.000 1.226 224 F CB 0.009 39.107 39.000 0.163 0.000 0.983 224 F HN 0.488 nan 8.300 nan 0.000 0.479 225 D N -0.456 120.171 120.400 0.379 0.000 2.149 225 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 225 D C 2.460 178.809 176.300 0.081 0.000 0.990 225 D CA 1.623 55.772 54.000 0.249 0.000 0.839 225 D CB -0.473 40.472 40.800 0.243 0.000 0.948 225 D HN 0.260 nan 8.370 nan 0.000 0.460 226 S N -0.501 115.255 115.700 0.093 0.000 2.428 226 S HA -0.104 4.365 4.470 -0.000 0.000 0.230 226 S C 2.061 176.592 174.600 -0.116 0.000 1.014 226 S CA 1.424 59.569 58.200 -0.092 0.000 0.957 226 S CB -0.200 62.928 63.200 -0.121 0.000 0.784 226 S HN 0.530 nan 8.310 nan 0.000 0.499 227 T N -0.248 114.327 114.554 0.034 0.000 3.055 227 T HA 0.117 4.467 4.350 -0.000 0.000 0.265 227 T C 0.634 175.250 174.700 -0.139 0.000 1.111 227 T CA 0.044 62.156 62.100 0.019 0.000 1.118 227 T CB -0.468 68.390 68.868 -0.017 0.000 0.909 227 T HN 0.036 nan 8.240 nan 0.000 0.501 228 V N 4.149 123.942 119.914 -0.203 0.000 2.485 228 V HA 0.262 4.382 4.120 -0.000 0.000 0.287 228 V C 1.220 177.260 176.094 -0.089 0.000 1.022 228 V CA -0.140 62.072 62.300 -0.148 0.000 1.067 228 V CB -0.094 31.691 31.823 -0.064 0.000 0.967 228 V HN 0.722 nan 8.190 nan 0.000 0.479 229 T N 1.145 115.662 114.554 -0.062 0.000 2.847 229 T HA 0.324 4.674 4.350 -0.000 0.000 0.279 229 T C 0.973 175.658 174.700 -0.025 0.000 0.984 229 T CA -0.583 61.488 62.100 -0.049 0.000 0.988 229 T CB 1.271 70.116 68.868 -0.039 0.000 1.040 229 T HN 0.641 nan 8.240 nan 0.000 0.528 230 E N -0.080 120.107 120.200 -0.021 0.000 2.085 230 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 230 E C 2.327 178.937 176.600 0.017 0.000 0.994 230 E CA 0.983 57.386 56.400 0.004 0.000 0.801 230 E CB -0.090 29.613 29.700 0.005 0.000 0.743 230 E HN 0.632 nan 8.360 nan 0.000 0.453 231 R N 0.866 121.368 120.500 0.003 0.000 2.092 231 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 231 R C 1.480 177.790 176.300 0.017 0.000 1.119 231 R CA 1.597 57.701 56.100 0.007 0.000 0.970 231 R CB 0.036 30.328 30.300 -0.015 0.000 0.864 231 R HN 0.100 nan 8.270 nan 0.000 0.440 232 D N 0.533 120.940 120.400 0.011 0.000 2.123 232 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 232 D C 1.860 178.183 176.300 0.038 0.000 0.992 232 D CA 1.409 55.430 54.000 0.035 0.000 0.833 232 D CB -0.091 40.726 40.800 0.028 0.000 0.954 232 D HN 0.350 nan 8.370 nan 0.000 0.455 233 I N 0.536 121.131 120.570 0.042 0.000 2.353 233 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 233 I C 2.490 178.647 176.117 0.067 0.000 1.119 233 I CA 0.662 61.999 61.300 0.063 0.000 1.417 233 I CB -0.001 38.054 38.000 0.093 0.000 1.078 233 I HN -0.127 nan 8.210 nan 0.000 0.421 234 R N -0.060 120.479 120.500 0.065 0.000 2.115 234 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 234 R C 2.244 178.561 176.300 0.028 0.000 1.111 234 R CA 1.692 57.834 56.100 0.070 0.000 0.976 234 R CB -0.653 29.691 30.300 0.073 0.000 0.870 234 R HN 0.311 nan 8.270 nan 0.000 0.445 235 T N 1.045 115.608 114.554 0.015 0.000 2.821 235 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 235 T C 1.500 176.147 174.700 -0.087 0.000 1.046 235 T CA 1.253 63.351 62.100 -0.003 0.000 1.139 235 T CB -0.050 68.849 68.868 0.050 0.000 0.871 235 T HN 0.367 nan 8.240 nan 0.000 0.454 236 E N 0.791 120.913 120.200 -0.130 0.000 2.085 236 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 236 E C 2.293 178.506 176.600 -0.645 0.000 0.994 236 E CA 1.060 57.240 56.400 -0.365 0.000 0.801 236 E CB -0.099 29.435 29.700 -0.277 0.000 0.743 236 E HN 0.534 nan 8.360 nan 0.000 0.453 237 E N 0.510 120.548 120.200 -0.271 0.000 2.085 237 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 237 E C 2.156 178.721 176.600 -0.058 0.000 0.994 237 E CA 1.531 57.891 56.400 -0.065 0.000 0.801 237 E CB 0.009 29.815 29.700 0.176 0.000 0.743 237 E HN 0.233 nan 8.360 nan 0.000 0.453 238 S N 0.242 115.904 115.700 -0.063 0.000 2.399 238 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 238 S C 2.017 176.587 174.600 -0.049 0.000 1.022 238 S CA 1.008 59.188 58.200 -0.032 0.000 0.983 238 S CB -0.516 62.671 63.200 -0.021 0.000 0.803 238 S HN 0.295 nan 8.310 nan 0.000 0.480 239 I N 0.195 120.685 120.570 -0.132 0.000 2.202 239 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 239 I C 2.312 178.423 176.117 -0.010 0.000 1.091 239 I CA 1.254 62.490 61.300 -0.106 0.000 1.368 239 I CB -0.570 37.333 38.000 -0.162 0.000 1.058 239 I HN 0.211 nan 8.210 nan 0.000 0.410 240 Y N 1.031 121.353 120.300 0.037 0.000 2.165 240 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 240 Y C 2.628 178.551 175.900 0.039 0.000 1.155 240 Y CA 0.762 58.889 58.100 0.044 0.000 1.164 240 Y CB -1.067 37.439 38.460 0.077 0.000 0.978 240 Y HN 0.237 nan 8.280 nan 0.000 0.513 241 Q N -0.429 119.473 119.800 0.170 0.000 2.369 241 Q HA 0.060 4.400 4.340 -0.000 0.000 0.206 241 Q C 2.362 178.399 176.000 0.061 0.000 0.963 241 Q CA 0.886 56.750 55.803 0.102 0.000 0.894 241 Q CB -0.405 28.372 28.738 0.064 0.000 0.965 241 Q HN 0.532 nan 8.270 nan 0.000 0.475 242 A N 0.220 123.070 122.820 0.050 0.000 2.066 242 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 242 A C 1.261 178.866 177.584 0.035 0.000 1.157 242 A CA 0.221 52.276 52.037 0.030 0.000 0.670 242 A CB -0.328 18.680 19.000 0.015 0.000 0.804 242 A HN 0.357 nan 8.150 nan 0.000 0.453 243 C N 0.254 119.586 119.300 0.054 0.000 2.705 243 C HA 0.381 4.841 4.460 -0.000 0.000 0.382 243 C C 1.080 176.094 174.990 0.040 0.000 1.322 243 C CA -0.547 58.499 59.018 0.047 0.000 2.290 243 C CB 0.363 28.140 27.740 0.062 0.000 2.650 243 C HN 0.465 nan 8.230 nan 0.000 0.695 244 S N 1.833 117.551 115.700 0.031 0.000 2.448 244 S HA 0.542 5.012 4.470 -0.000 0.000 0.279 244 S C -0.421 174.199 174.600 0.034 0.000 1.195 244 S CA -0.174 58.043 58.200 0.028 0.000 1.051 244 S CB -0.150 63.062 63.200 0.020 0.000 0.948 244 S HN 0.435 nan 8.310 nan 0.000 0.493 245 L N 3.803 125.050 121.223 0.039 0.000 2.371 245 L HA 0.534 4.874 4.340 -0.000 0.000 0.262 245 L C -2.484 174.412 176.870 0.044 0.000 1.006 245 L CA -2.648 52.220 54.840 0.047 0.000 0.818 245 L CB 1.747 43.842 42.059 0.060 0.000 1.354 245 L HN 0.330 nan 8.230 nan 0.000 0.415 246 P HA 0.037 nan 4.420 nan 0.000 0.268 246 P C 0.021 177.354 177.300 0.055 0.000 1.205 246 P CA -0.262 62.868 63.100 0.051 0.000 0.771 246 P CB 0.746 32.482 31.700 0.061 0.000 0.858 247 Q N 2.606 122.432 119.800 0.044 0.000 2.152 247 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 247 Q C 1.836 177.863 176.000 0.044 0.000 0.985 247 Q CA 2.071 57.895 55.803 0.037 0.000 0.863 247 Q CB -0.572 28.181 28.738 0.026 0.000 0.904 247 Q HN 0.618 nan 8.270 nan 0.000 0.422 248 E N -1.159 119.081 120.200 0.067 0.000 2.077 248 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 248 E C 1.735 178.396 176.600 0.102 0.000 0.989 248 E CA 1.071 57.526 56.400 0.092 0.000 0.800 248 E CB -0.261 29.538 29.700 0.165 0.000 0.746 248 E HN 0.465 nan 8.360 nan 0.000 0.452 249 A N 1.350 124.250 122.820 0.134 0.000 1.902 249 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 249 A C 2.148 179.777 177.584 0.075 0.000 1.181 249 A CA 1.458 53.577 52.037 0.136 0.000 0.623 249 A CB -0.465 18.614 19.000 0.132 0.000 0.818 249 A HN 0.196 nan 8.150 nan 0.000 0.443 250 R N -0.960 119.577 120.500 0.062 0.000 2.091 250 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 250 R C 2.281 178.608 176.300 0.046 0.000 1.136 250 R CA 1.841 57.975 56.100 0.057 0.000 0.959 250 R CB -0.873 29.450 30.300 0.040 0.000 0.856 250 R HN 0.521 nan 8.270 nan 0.000 0.437 251 T N 0.816 115.375 114.554 0.008 0.000 2.674 251 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 251 T C 2.022 176.673 174.700 -0.081 0.000 1.039 251 T CA 1.421 63.507 62.100 -0.022 0.000 1.150 251 T CB -0.163 68.668 68.868 -0.061 0.000 0.864 251 T HN -0.001 nan 8.240 nan 0.000 0.427 252 V N 1.251 121.059 119.914 -0.176 0.000 2.515 252 V HA -0.095 4.025 4.120 -0.000 0.000 0.250 252 V C 2.344 178.348 176.094 -0.151 0.000 1.058 252 V CA 1.265 63.376 62.300 -0.314 0.000 1.064 252 V CB -0.629 30.804 31.823 -0.650 0.000 0.675 252 V HN 0.475 nan 8.190 nan 0.000 0.461 253 I N -0.367 120.194 120.570 -0.015 0.000 2.286 253 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 253 I C 2.542 178.734 176.117 0.124 0.000 1.115 253 I CA 1.753 63.105 61.300 0.088 0.000 1.392 253 I CB -0.460 37.630 38.000 0.149 0.000 1.065 253 I HN 0.388 nan 8.210 nan 0.000 0.418 254 H N 0.646 119.713 119.070 -0.004 0.000 2.357 254 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 254 H C 2.357 177.632 175.328 -0.088 0.000 1.082 254 H CA 1.825 57.864 56.048 -0.016 0.000 1.342 254 H CB -0.009 29.737 29.762 -0.026 0.000 1.389 254 H HN 0.112 nan 8.280 nan 0.000 0.511 255 S N -0.017 115.537 115.700 -0.243 0.000 2.356 255 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 255 S C 2.359 176.767 174.600 -0.319 0.000 1.032 255 S CA 1.232 59.227 58.200 -0.341 0.000 1.005 255 S CB -0.335 62.684 63.200 -0.302 0.000 0.867 255 S HN 0.349 nan 8.310 nan 0.000 0.449 256 L N 1.001 122.042 121.223 -0.302 0.000 2.083 256 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 256 L C 2.690 179.198 176.870 -0.603 0.000 1.083 256 L CA 1.170 55.722 54.840 -0.481 0.000 0.752 256 L CB -1.039 40.726 42.059 -0.491 0.000 0.899 256 L HN 0.311 nan 8.230 nan 0.000 0.433 257 T N -1.067 113.335 114.554 -0.254 0.000 2.708 257 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 257 T C 1.804 176.461 174.700 -0.071 0.000 1.037 257 T CA 1.157 63.259 62.100 0.003 0.000 1.146 257 T CB -0.062 68.923 68.868 0.195 0.000 0.865 257 T HN 0.266 nan 8.240 nan 0.000 0.435 258 E N 0.871 120.956 120.200 -0.191 0.000 2.152 258 E HA 0.038 4.388 4.350 -0.000 0.000 0.192 258 E C 2.279 178.809 176.600 -0.117 0.000 0.983 258 E CA 0.793 57.096 56.400 -0.161 0.000 0.818 258 E CB -0.033 29.487 29.700 -0.300 0.000 0.758 258 E HN 0.443 nan 8.360 nan 0.000 0.467 259 R N -0.677 119.717 120.500 -0.175 0.000 2.254 259 R HA 0.147 4.487 4.340 -0.000 0.000 0.193 259 R C 1.715 177.937 176.300 -0.130 0.000 0.929 259 R CA 0.180 56.199 56.100 -0.134 0.000 1.038 259 R CB 0.408 30.610 30.300 -0.162 0.000 1.009 259 R HN 0.022 nan 8.270 nan 0.000 0.512 260 L N -2.149 118.963 121.223 -0.185 0.000 2.691 260 L HA 0.197 4.537 4.340 -0.000 0.000 0.185 260 L C 1.182 178.051 176.870 -0.001 0.000 1.081 260 L CA 0.738 55.488 54.840 -0.149 0.000 0.865 260 L CB -0.213 41.691 42.059 -0.258 0.000 1.370 260 L HN -0.135 nan 8.230 nan 0.000 0.488 261 Y N 0.647 120.963 120.300 0.027 0.000 2.242 261 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 261 Y C 2.606 178.520 175.900 0.025 0.000 1.137 261 Y CA 1.477 59.607 58.100 0.049 0.000 1.181 261 Y CB -1.380 37.138 38.460 0.096 0.000 0.989 261 Y HN 0.202 nan 8.280 nan 0.000 0.527 262 V N -2.524 117.480 119.914 0.150 0.000 3.217 262 V HA 0.469 4.589 4.120 -0.000 0.000 0.264 262 V C 0.947 177.062 176.094 0.035 0.000 1.135 262 V CA 0.904 63.255 62.300 0.085 0.000 1.142 262 V CB -0.830 31.035 31.823 0.070 0.000 0.754 262 V HN 0.412 nan 8.190 nan 0.000 0.484 263 G N -2.258 106.545 108.800 0.004 0.000 2.356 263 G HA2 0.584 4.544 3.960 -0.000 0.000 0.300 263 G HA3 0.584 4.544 3.960 -0.000 0.000 0.300 263 G C -0.482 174.296 174.900 -0.203 0.000 1.331 263 G CA -0.046 45.004 45.100 -0.083 0.000 0.905 263 G HN 1.631 nan 8.290 nan 0.000 0.587 264 G N -0.932 107.515 108.800 -0.588 0.000 2.320 264 G HA2 0.725 4.684 3.960 -0.000 0.000 0.297 264 G HA3 0.725 4.684 3.960 -0.000 0.000 0.297 264 G C -3.486 170.764 174.900 -1.085 0.000 1.344 264 G CA 0.193 44.843 45.100 -0.750 0.000 0.851 264 G HN 0.851 nan 8.290 nan 0.000 0.567 265 P HA 0.462 nan 4.420 nan 0.000 0.277 265 P C -0.590 176.581 177.300 -0.215 0.000 1.240 265 P CA -0.093 62.814 63.100 -0.323 0.000 0.798 265 P CB 1.013 32.681 31.700 -0.054 0.000 0.979 266 M N 1.220 120.735 119.600 -0.142 0.000 2.393 266 M HA 0.389 4.869 4.480 -0.000 0.000 0.316 266 M C -0.240 176.032 176.300 -0.046 0.000 1.087 266 M CA -0.196 55.044 55.300 -0.099 0.000 0.937 266 M CB 2.415 34.960 32.600 -0.092 0.000 1.668 266 M HN 0.184 nan 8.290 nan 0.000 0.438 267 T N 1.791 116.312 114.554 -0.055 0.000 2.863 267 T HA 0.439 4.789 4.350 -0.000 0.000 0.285 267 T C -0.354 174.328 174.700 -0.030 0.000 1.009 267 T CA -0.892 61.188 62.100 -0.033 0.000 0.989 267 T CB 1.218 70.057 68.868 -0.049 0.000 1.004 267 T HN 0.765 nan 8.240 nan 0.000 0.455 268 N N 0.341 119.041 118.700 -0.000 0.000 2.364 268 N HA 0.158 4.898 4.740 -0.000 0.000 0.264 268 N C 1.463 176.967 175.510 -0.009 0.000 1.263 268 N CA -0.239 52.815 53.050 0.006 0.000 0.959 268 N CB 0.107 38.611 38.487 0.029 0.000 1.204 268 N HN 0.464 nan 8.380 nan 0.000 0.550 269 S N -0.840 114.862 115.700 0.004 0.000 2.419 269 S HA -0.135 4.334 4.470 -0.000 0.000 0.233 269 S C 1.041 175.639 174.600 -0.005 0.000 1.016 269 S CA 0.764 58.966 58.200 0.003 0.000 0.974 269 S CB -0.479 62.733 63.200 0.021 0.000 0.786 269 S HN 0.634 nan 8.310 nan 0.000 0.492 270 K N 0.844 121.243 120.400 -0.000 0.000 2.487 270 K HA 0.238 4.558 4.320 -0.000 0.000 0.192 270 K C 1.232 177.827 176.600 -0.008 0.000 1.027 270 K CA 0.380 56.666 56.287 -0.003 0.000 1.054 270 K CB -0.251 32.252 32.500 0.004 0.000 0.824 270 K HN 0.579 nan 8.250 nan 0.000 0.510 271 G N 1.890 110.682 108.800 -0.014 0.000 2.143 271 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.249 271 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.249 271 G C -0.302 174.596 174.900 -0.004 0.000 0.981 271 G CA -0.100 44.989 45.100 -0.017 0.000 0.665 271 G HN 0.371 nan 8.290 nan 0.000 0.528 272 Q N 0.501 120.304 119.800 0.005 0.000 2.261 272 Q HA 0.545 4.884 4.340 -0.000 0.000 0.252 272 Q C 0.558 176.572 176.000 0.024 0.000 0.915 272 Q CA 0.057 55.870 55.803 0.017 0.000 0.915 272 Q CB 1.557 30.309 28.738 0.024 0.000 1.204 272 Q HN 0.277 nan 8.270 nan 0.000 0.421 273 S N 0.932 116.650 115.700 0.030 0.000 2.525 273 S HA -0.008 4.462 4.470 -0.000 0.000 0.285 273 S C 0.416 175.055 174.600 0.064 0.000 1.283 273 S CA -0.366 57.858 58.200 0.040 0.000 1.072 273 S CB 0.254 63.480 63.200 0.043 0.000 0.867 273 S HN 0.855 nan 8.310 nan 0.000 0.492 274 C N 4.212 123.558 119.300 0.076 0.000 2.735 274 C HA 0.690 5.150 4.460 -0.000 0.000 0.444 274 C C 1.063 176.162 174.990 0.182 0.000 1.331 274 C CA 0.708 59.812 59.018 0.144 0.000 2.225 274 C CB -0.582 27.246 27.740 0.148 0.000 2.917 274 C HN 1.044 nan 8.230 nan 0.000 0.567 275 G N -1.438 107.386 108.800 0.040 0.000 2.428 275 G HA2 0.441 4.401 3.960 -0.000 0.000 0.304 275 G HA3 0.441 4.401 3.960 -0.000 0.000 0.304 275 G C -2.412 172.443 174.900 -0.075 0.000 1.303 275 G CA -0.257 44.777 45.100 -0.110 0.000 0.825 275 G HN 0.222 nan 8.290 nan 0.000 0.484 276 Y N 0.302 120.449 120.300 -0.255 0.000 2.421 276 Y HA 0.724 5.274 4.550 -0.000 0.000 0.339 276 Y C 0.032 175.829 175.900 -0.171 0.000 0.996 276 Y CA -0.936 57.067 58.100 -0.163 0.000 1.046 276 Y CB 1.989 40.375 38.460 -0.124 0.000 1.226 276 Y HN 0.672 nan 8.280 nan 0.000 0.445 277 R N 4.949 125.273 120.500 -0.294 0.000 2.460 277 R HA 0.553 4.893 4.340 -0.000 0.000 0.303 277 R C -0.738 175.460 176.300 -0.171 0.000 0.968 277 R CA -0.599 55.357 56.100 -0.239 0.000 0.889 277 R CB 0.968 31.165 30.300 -0.171 0.000 1.123 277 R HN 0.911 nan 8.270 nan 0.000 0.455 278 R N 3.246 123.611 120.500 -0.226 0.000 2.668 278 R HA 0.214 4.554 4.340 -0.000 0.000 0.435 278 R C -0.682 175.499 176.300 -0.199 0.000 1.059 278 R CA -0.308 55.717 56.100 -0.124 0.000 1.073 278 R CB 0.427 30.692 30.300 -0.059 0.000 1.401 278 R HN 0.798 nan 8.270 nan 0.000 0.590 279 C N -2.035 117.102 119.300 -0.271 0.000 3.308 279 C HA 0.618 5.078 4.460 -0.000 0.000 0.360 279 C C -0.202 174.726 174.990 -0.103 0.000 1.695 279 C CA -1.535 57.350 59.018 -0.221 0.000 1.366 279 C CB 1.166 28.689 27.740 -0.362 0.000 2.121 279 C HN 0.372 nan 8.230 nan 0.000 0.442 280 R N 1.239 121.720 120.500 -0.033 0.000 2.538 280 R HA 0.450 4.790 4.340 -0.000 0.000 0.282 280 R C 0.122 176.468 176.300 0.077 0.000 1.009 280 R CA 1.018 57.148 56.100 0.051 0.000 1.063 280 R CB -0.151 30.214 30.300 0.109 0.000 0.945 280 R HN 1.206 nan 8.270 nan 0.000 0.414 281 A N 3.649 126.532 122.820 0.105 0.000 2.409 281 A HA 0.226 4.546 4.320 -0.000 0.000 0.262 281 A C 0.921 178.593 177.584 0.147 0.000 1.113 281 A CA 0.066 52.187 52.037 0.140 0.000 0.790 281 A CB 0.436 19.531 19.000 0.159 0.000 1.046 281 A HN 1.006 nan 8.150 nan 0.000 0.496 282 S N 2.079 117.879 115.700 0.168 0.000 2.461 282 S HA 0.072 4.542 4.470 -0.000 0.000 0.228 282 S C 1.123 175.806 174.600 0.138 0.000 1.005 282 S CA 0.739 59.032 58.200 0.155 0.000 0.942 282 S CB 0.118 63.419 63.200 0.169 0.000 0.776 282 S HN 1.225 nan 8.310 nan 0.000 0.514 283 G N 1.990 110.894 108.800 0.173 0.000 4.433 283 G HA2 0.513 4.472 3.960 -0.000 0.000 0.304 283 G HA3 0.513 4.472 3.960 -0.000 0.000 0.304 283 G C -0.076 174.945 174.900 0.202 0.000 1.254 283 G CA -0.199 45.009 45.100 0.180 0.000 0.999 283 G HN 0.482 nan 8.290 nan 0.000 0.576 284 V N -3.211 116.806 119.914 0.172 0.000 2.994 284 V HA 0.647 4.767 4.120 -0.000 0.000 0.318 284 V C 1.313 177.500 176.094 0.155 0.000 1.085 284 V CA -1.009 61.424 62.300 0.221 0.000 0.998 284 V CB 1.461 33.468 31.823 0.307 0.000 1.063 284 V HN 0.087 nan 8.190 nan 0.000 0.447 285 F N 2.728 122.742 119.950 0.107 0.000 2.091 285 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 285 F C 2.345 178.136 175.800 -0.014 0.000 1.103 285 F CA 2.826 60.862 58.000 0.060 0.000 1.228 285 F CB -0.491 38.573 39.000 0.106 0.000 0.984 285 F HN 0.781 nan 8.300 nan 0.000 0.477 286 T N -3.277 111.109 114.554 -0.280 0.000 3.160 286 T HA -0.041 4.309 4.350 -0.000 0.000 0.257 286 T C 1.699 176.243 174.700 -0.259 0.000 1.147 286 T CA 0.996 62.861 62.100 -0.392 0.000 1.064 286 T CB -0.950 67.630 68.868 -0.480 0.000 0.949 286 T HN 0.262 nan 8.240 nan 0.000 0.526 287 T N 1.914 116.360 114.554 -0.180 0.000 2.635 287 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 287 T C 2.202 176.879 174.700 -0.038 0.000 1.040 287 T CA 1.775 63.839 62.100 -0.062 0.000 1.156 287 T CB -0.674 68.192 68.868 -0.003 0.000 0.863 287 T HN 0.545 nan 8.240 nan 0.000 0.430 288 S N 0.604 116.246 115.700 -0.097 0.000 2.355 288 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 288 S C 2.156 176.774 174.600 0.029 0.000 1.031 288 S CA 1.609 59.786 58.200 -0.038 0.000 0.993 288 S CB -0.420 62.681 63.200 -0.165 0.000 0.859 288 S HN 0.537 nan 8.310 nan 0.000 0.453 289 M N 0.765 120.328 119.600 -0.061 0.000 2.117 289 M HA 0.011 4.491 4.480 -0.000 0.000 0.262 289 M C 1.994 178.331 176.300 0.061 0.000 1.065 289 M CA 2.037 57.337 55.300 0.000 0.000 1.114 289 M CB -0.820 31.735 32.600 -0.075 0.000 1.361 289 M HN 0.383 nan 8.290 nan 0.000 0.408 290 G N 0.327 109.159 108.800 0.053 0.000 2.404 290 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 290 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 290 G C 1.188 176.172 174.900 0.140 0.000 1.174 290 G CA 0.910 46.065 45.100 0.091 0.000 0.780 290 G HN 0.469 nan 8.290 nan 0.000 0.537 291 N N 0.569 119.355 118.700 0.143 0.000 2.149 291 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 291 N C 2.359 177.905 175.510 0.059 0.000 1.019 291 N CA 1.628 54.770 53.050 0.153 0.000 0.857 291 N CB -0.726 37.763 38.487 0.003 0.000 0.997 291 N HN 0.247 nan 8.380 nan 0.000 0.426 292 T N 1.534 116.139 114.554 0.085 0.000 2.674 292 T HA -0.050 4.300 4.350 -0.000 0.000 0.265 292 T C 2.064 176.841 174.700 0.127 0.000 1.039 292 T CA 1.115 63.274 62.100 0.098 0.000 1.150 292 T CB -0.173 68.805 68.868 0.182 0.000 0.864 292 T HN 0.209 nan 8.240 nan 0.000 0.427 293 M N 0.779 120.446 119.600 0.111 0.000 2.108 293 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 293 M C 2.512 178.926 176.300 0.189 0.000 1.066 293 M CA 1.470 56.837 55.300 0.112 0.000 1.107 293 M CB -0.787 31.841 32.600 0.047 0.000 1.356 293 M HN 0.216 nan 8.290 nan 0.000 0.406 294 T N -0.535 114.145 114.554 0.211 0.000 2.937 294 T HA -0.106 4.244 4.350 -0.000 0.000 0.260 294 T C 1.875 176.779 174.700 0.340 0.000 1.051 294 T CA 0.969 63.223 62.100 0.256 0.000 1.141 294 T CB -0.352 68.687 68.868 0.286 0.000 0.879 294 T HN 0.518 nan 8.240 nan 0.000 0.459 295 C N 0.942 120.482 119.300 0.399 0.000 2.413 295 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 295 C C 2.373 177.519 174.990 0.260 0.000 1.236 295 C CA 0.779 60.011 59.018 0.356 0.000 1.735 295 C CB -1.382 26.414 27.740 0.093 0.000 2.031 295 C HN 0.675 nan 8.230 nan 0.000 0.474 296 Y N 1.109 121.472 120.300 0.104 0.000 2.128 296 Y HA -0.147 4.403 4.550 -0.000 0.000 0.284 296 Y C 2.110 178.041 175.900 0.052 0.000 1.154 296 Y CA 2.284 60.426 58.100 0.070 0.000 1.149 296 Y CB -0.364 38.120 38.460 0.040 0.000 0.976 296 Y HN 0.353 nan 8.280 nan 0.000 0.505 297 I N 0.324 120.914 120.570 0.032 0.000 2.163 297 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 297 I C 2.353 178.359 176.117 -0.185 0.000 1.081 297 I CA 1.700 62.898 61.300 -0.171 0.000 1.353 297 I CB -0.382 37.531 38.000 -0.146 0.000 1.054 297 I HN 0.168 nan 8.210 nan 0.000 0.407 298 K N 0.763 121.163 120.400 -0.001 0.000 2.057 298 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 298 K C 2.228 178.888 176.600 0.100 0.000 1.049 298 K CA 1.563 57.901 56.287 0.085 0.000 0.931 298 K CB -0.280 32.354 32.500 0.224 0.000 0.714 298 K HN 0.321 nan 8.250 nan 0.000 0.440 299 A N 1.252 124.118 122.820 0.077 0.000 1.873 299 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 299 A C 2.092 179.748 177.584 0.121 0.000 1.186 299 A CA 1.043 53.171 52.037 0.151 0.000 0.616 299 A CB -0.464 18.664 19.000 0.214 0.000 0.823 299 A HN 0.211 nan 8.150 nan 0.000 0.442 300 L N -0.362 120.801 121.223 -0.100 0.000 2.093 300 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 300 L C 2.647 179.496 176.870 -0.035 0.000 1.085 300 L CA 1.915 56.671 54.840 -0.140 0.000 0.755 300 L CB -0.670 41.127 42.059 -0.436 0.000 0.904 300 L HN 0.341 nan 8.230 nan 0.000 0.435 301 A N -0.473 122.328 122.820 -0.031 0.000 1.877 301 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 301 A C 2.451 180.120 177.584 0.141 0.000 1.186 301 A CA 1.699 53.784 52.037 0.080 0.000 0.620 301 A CB -1.174 17.853 19.000 0.044 0.000 0.822 301 A HN 0.521 nan 8.150 nan 0.000 0.443 302 A N -1.029 121.884 122.820 0.155 0.000 1.972 302 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 302 A C 2.283 179.907 177.584 0.068 0.000 1.169 302 A CA 1.695 53.680 52.037 -0.087 0.000 0.635 302 A CB -1.288 17.331 19.000 -0.634 0.000 0.810 302 A HN 0.603 nan 8.150 nan 0.000 0.446 303 C N -0.801 118.655 119.300 0.260 0.000 2.429 303 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 303 C C 2.731 177.771 174.990 0.083 0.000 1.262 303 C CA 1.449 60.622 59.018 0.258 0.000 1.733 303 C CB -1.051 26.804 27.740 0.191 0.000 2.010 303 C HN 0.644 nan 8.230 nan 0.000 0.483 304 K N 1.091 121.499 120.400 0.015 0.000 2.057 304 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 304 K C 2.219 178.652 176.600 -0.279 0.000 1.049 304 K CA 1.545 57.805 56.287 -0.045 0.000 0.931 304 K CB -0.331 32.213 32.500 0.072 0.000 0.714 304 K HN 0.472 nan 8.250 nan 0.000 0.440 305 A N 1.138 123.654 122.820 -0.507 0.000 1.933 305 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 305 A C 2.259 179.706 177.584 -0.229 0.000 1.175 305 A CA 1.860 53.523 52.037 -0.622 0.000 0.628 305 A CB -0.611 18.113 19.000 -0.462 0.000 0.814 305 A HN 0.328 nan 8.150 nan 0.000 0.444 306 A N -1.934 120.825 122.820 -0.101 0.000 2.169 306 A HA 0.406 4.726 4.320 -0.000 0.000 0.212 306 A C 1.781 179.366 177.584 0.001 0.000 1.153 306 A CA 1.233 53.262 52.037 -0.015 0.000 0.756 306 A CB -0.827 18.232 19.000 0.097 0.000 0.813 306 A HN 1.930 nan 8.150 nan 0.000 0.471 307 G N -0.429 108.370 108.800 -0.002 0.000 2.182 307 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.248 307 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.248 307 G C -0.037 174.882 174.900 0.032 0.000 1.042 307 G CA 0.090 45.199 45.100 0.015 0.000 0.775 307 G HN 0.320 nan 8.290 nan 0.000 0.501 308 I N 0.520 121.123 120.570 0.055 0.000 2.556 308 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 308 I C 0.942 177.086 176.117 0.045 0.000 1.114 308 I CA -0.191 61.147 61.300 0.064 0.000 1.418 308 I CB 1.291 39.356 38.000 0.109 0.000 1.394 308 I HN -0.100 nan 8.210 nan 0.000 0.552 309 V N 6.463 126.395 119.914 0.030 0.000 2.333 309 V HA 0.202 4.322 4.120 -0.000 0.000 0.274 309 V C -0.243 175.854 176.094 0.004 0.000 1.028 309 V CA -0.358 61.951 62.300 0.015 0.000 0.851 309 V CB 0.649 32.475 31.823 0.006 0.000 1.000 309 V HN 0.808 nan 8.190 nan 0.000 0.456 310 D N 3.636 124.040 120.400 0.007 0.000 2.739 310 D HA -0.105 4.535 4.640 -0.000 0.000 0.240 310 D C -2.102 174.196 176.300 -0.004 0.000 1.114 310 D CA 0.276 54.275 54.000 -0.002 0.000 0.695 310 D CB -0.802 39.986 40.800 -0.020 0.000 1.078 310 D HN 0.490 nan 8.370 nan 0.000 0.434 311 P HA 0.105 nan 4.420 nan 0.000 0.268 311 P C -0.083 177.229 177.300 0.019 0.000 1.204 311 P CA -0.162 62.942 63.100 0.007 0.000 0.768 311 P CB 1.076 32.791 31.700 0.025 0.000 0.842 312 V N 5.191 125.108 119.914 0.005 0.000 2.350 312 V HA 0.342 4.462 4.120 -0.000 0.000 0.285 312 V C 0.530 176.681 176.094 0.094 0.000 1.014 312 V CA -0.304 62.027 62.300 0.053 0.000 0.831 312 V CB 1.000 32.799 31.823 -0.040 0.000 1.000 312 V HN 0.500 nan 8.190 nan 0.000 0.433 313 M N 5.389 125.092 119.600 0.173 0.000 2.472 313 M HA 0.628 5.108 4.480 -0.000 0.000 0.331 313 M C -1.157 175.267 176.300 0.207 0.000 1.170 313 M CA -0.805 54.577 55.300 0.136 0.000 1.009 313 M CB 2.295 34.969 32.600 0.124 0.000 1.672 313 M HN 0.435 nan 8.290 nan 0.000 0.453 314 L N 3.181 124.466 121.223 0.103 0.000 2.372 314 L HA 0.607 4.947 4.340 -0.000 0.000 0.274 314 L C -1.396 175.431 176.870 -0.071 0.000 0.988 314 L CA -0.442 54.385 54.840 -0.021 0.000 0.833 314 L CB 1.675 43.721 42.059 -0.022 0.000 1.236 314 L HN 0.488 nan 8.230 nan 0.000 0.410 315 V N 4.122 123.975 119.914 -0.101 0.000 2.409 315 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 315 V C -0.664 175.247 176.094 -0.305 0.000 1.020 315 V CA -0.467 61.770 62.300 -0.105 0.000 0.848 315 V CB 1.507 33.359 31.823 0.048 0.000 0.990 315 V HN 0.847 nan 8.190 nan 0.000 0.430 316 C N 4.865 123.923 119.300 -0.405 0.000 2.534 316 C HA 0.754 5.214 4.460 -0.000 0.000 0.309 316 C C 1.284 176.079 174.990 -0.325 0.000 1.072 316 C CA -0.009 58.514 59.018 -0.826 0.000 1.441 316 C CB -0.247 26.898 27.740 -0.990 0.000 1.906 316 C HN 1.351 nan 8.230 nan 0.000 0.429 317 G N 4.500 113.277 108.800 -0.039 0.000 2.622 317 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.307 317 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.307 317 G C 0.773 175.519 174.900 -0.257 0.000 1.226 317 G CA 1.039 46.145 45.100 0.009 0.000 0.997 317 G HN 0.757 nan 8.290 nan 0.000 0.551 318 D N 1.198 121.374 120.400 -0.374 0.000 2.349 318 D HA 0.084 4.723 4.640 -0.000 0.000 0.224 318 D C 0.472 176.629 176.300 -0.237 0.000 1.029 318 D CA 0.918 54.520 54.000 -0.664 0.000 0.879 318 D CB -0.135 40.308 40.800 -0.595 0.000 0.906 318 D HN 0.433 nan 8.370 nan 0.000 0.528 319 D N 0.501 120.817 120.400 -0.141 0.000 2.249 319 D HA 0.308 4.948 4.640 -0.000 0.000 0.246 319 D C -1.036 175.237 176.300 -0.046 0.000 1.114 319 D CA -0.592 53.371 54.000 -0.061 0.000 0.854 319 D CB 1.216 41.971 40.800 -0.076 0.000 1.132 319 D HN 0.031 nan 8.370 nan 0.000 0.461 320 L N 4.775 126.016 121.223 0.030 0.000 2.409 320 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 320 L C -1.637 175.223 176.870 -0.017 0.000 0.980 320 L CA -0.569 54.295 54.840 0.041 0.000 0.826 320 L CB 1.918 44.077 42.059 0.166 0.000 1.268 320 L HN 0.105 nan 8.230 nan 0.000 0.407 321 V N 5.322 125.186 119.914 -0.084 0.000 2.604 321 V HA 0.686 4.806 4.120 -0.000 0.000 0.305 321 V C -0.764 175.176 176.094 -0.257 0.000 1.043 321 V CA -0.669 61.525 62.300 -0.177 0.000 0.888 321 V CB 2.126 33.892 31.823 -0.095 0.000 0.995 321 V HN 0.516 nan 8.190 nan 0.000 0.429 322 V N 5.872 125.454 119.914 -0.552 0.000 2.483 322 V HA 0.550 4.669 4.120 -0.000 0.000 0.297 322 V C -0.454 175.404 176.094 -0.393 0.000 1.027 322 V CA -0.393 61.582 62.300 -0.543 0.000 0.855 322 V CB 1.844 33.109 31.823 -0.930 0.000 0.995 322 V HN 0.688 nan 8.190 nan 0.000 0.424 323 I N 4.599 125.079 120.570 -0.150 0.000 2.404 323 I HA 0.716 4.886 4.170 -0.000 0.000 0.293 323 I C 0.214 176.288 176.117 -0.072 0.000 0.992 323 I CA 0.100 61.369 61.300 -0.052 0.000 1.149 323 I CB 2.047 40.066 38.000 0.032 0.000 1.315 323 I HN 0.840 nan 8.210 nan 0.000 0.446 324 S N 4.281 119.938 115.700 -0.072 0.000 2.705 324 S HA 0.493 4.963 4.470 -0.000 0.000 0.280 324 S C -1.073 173.474 174.600 -0.089 0.000 1.174 324 S CA -1.073 57.092 58.200 -0.057 0.000 0.823 324 S CB 1.907 65.108 63.200 0.002 0.000 1.162 324 S HN 0.418 nan 8.310 nan 0.000 0.487 325 E N 1.741 121.903 120.200 -0.063 0.000 2.259 325 E HA 0.281 4.631 4.350 -0.000 0.000 0.281 325 E C -0.155 176.431 176.600 -0.024 0.000 1.037 325 E CA -0.018 56.342 56.400 -0.068 0.000 0.854 325 E CB 1.509 31.177 29.700 -0.054 0.000 1.051 325 E HN 0.572 nan 8.360 nan 0.000 0.409 326 S N 2.497 118.190 115.700 -0.011 0.000 2.560 326 S HA -0.045 4.425 4.470 -0.000 0.000 0.284 326 S C 0.692 175.305 174.600 0.022 0.000 1.327 326 S CA -0.062 58.171 58.200 0.056 0.000 1.055 326 S CB 0.345 63.608 63.200 0.105 0.000 0.868 326 S HN 0.292 nan 8.310 nan 0.000 0.506 327 Q N 2.339 122.160 119.800 0.034 0.000 2.198 327 Q HA 0.299 4.639 4.340 -0.000 0.000 0.209 327 Q C 0.773 176.777 176.000 0.008 0.000 0.848 327 Q CA 0.509 56.320 55.803 0.013 0.000 0.974 327 Q CB 0.393 29.140 28.738 0.014 0.000 1.115 327 Q HN 1.014 nan 8.270 nan 0.000 0.494 328 G N 0.845 109.649 108.800 0.008 0.000 2.629 328 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 328 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 328 G C 0.048 174.955 174.900 0.011 0.000 1.232 328 G CA -0.367 44.725 45.100 -0.012 0.000 0.803 328 G HN 0.238 nan 8.290 nan 0.000 0.638 329 N N -0.062 118.627 118.700 -0.018 0.000 2.080 329 N HA -0.059 4.680 4.740 -0.000 0.000 0.189 329 N C 2.016 177.550 175.510 0.041 0.000 1.036 329 N CA 1.685 54.742 53.050 0.012 0.000 0.846 329 N CB 0.055 38.518 38.487 -0.039 0.000 1.015 329 N HN 0.697 nan 8.380 nan 0.000 0.423 330 E N 0.842 121.052 120.200 0.016 0.000 2.051 330 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 330 E C 1.722 178.331 176.600 0.015 0.000 0.991 330 E CA 0.962 57.370 56.400 0.014 0.000 0.799 330 E CB 0.018 29.720 29.700 0.003 0.000 0.748 330 E HN 0.424 nan 8.360 nan 0.000 0.449 331 E N 0.533 120.742 120.200 0.015 0.000 2.072 331 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 331 E C 1.739 178.348 176.600 0.015 0.000 0.985 331 E CA 0.903 57.309 56.400 0.011 0.000 0.801 331 E CB 0.015 29.720 29.700 0.009 0.000 0.750 331 E HN 0.194 nan 8.360 nan 0.000 0.452 332 D N 0.882 121.305 120.400 0.038 0.000 2.104 332 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 332 D C 1.858 178.154 176.300 -0.006 0.000 0.994 332 D CA 0.958 54.982 54.000 0.039 0.000 0.830 332 D CB -0.141 40.736 40.800 0.128 0.000 0.959 332 D HN 0.150 nan 8.370 nan 0.000 0.452 333 E N 0.518 120.725 120.200 0.012 0.000 2.051 333 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 333 E C 2.266 178.849 176.600 -0.028 0.000 0.991 333 E CA 0.582 56.975 56.400 -0.013 0.000 0.799 333 E CB -0.104 29.601 29.700 0.009 0.000 0.748 333 E HN 0.339 nan 8.360 nan 0.000 0.449 334 R N 0.617 121.108 120.500 -0.015 0.000 2.080 334 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 334 R C 2.123 178.408 176.300 -0.025 0.000 1.137 334 R CA 1.573 57.664 56.100 -0.016 0.000 0.943 334 R CB -0.460 29.835 30.300 -0.008 0.000 0.846 334 R HN 0.292 nan 8.270 nan 0.000 0.431 335 N N 0.366 119.049 118.700 -0.029 0.000 2.223 335 N HA -0.118 4.621 4.740 -0.000 0.000 0.185 335 N C 1.827 177.302 175.510 -0.060 0.000 1.016 335 N CA 0.716 53.748 53.050 -0.030 0.000 0.863 335 N CB -0.024 38.451 38.487 -0.020 0.000 0.983 335 N HN 0.165 nan 8.380 nan 0.000 0.429 336 L N 0.671 121.811 121.223 -0.139 0.000 2.109 336 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 336 L C 2.350 179.184 176.870 -0.060 0.000 1.086 336 L CA 0.850 55.544 54.840 -0.243 0.000 0.760 336 L CB -0.368 41.456 42.059 -0.391 0.000 0.910 336 L HN 0.160 nan 8.230 nan 0.000 0.437 337 R N 0.240 120.716 120.500 -0.039 0.000 2.081 337 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 337 R C 2.412 178.709 176.300 -0.006 0.000 1.131 337 R CA 1.446 57.542 56.100 -0.007 0.000 0.960 337 R CB -0.361 29.930 30.300 -0.015 0.000 0.856 337 R HN 0.336 nan 8.270 nan 0.000 0.436 338 A N 0.463 123.276 122.820 -0.012 0.000 1.930 338 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 338 A C 1.917 179.476 177.584 -0.041 0.000 1.175 338 A CA 0.876 52.894 52.037 -0.031 0.000 0.627 338 A CB -0.550 18.434 19.000 -0.026 0.000 0.815 338 A HN 0.377 nan 8.150 nan 0.000 0.443 339 F N 1.325 121.190 119.950 -0.142 0.000 2.102 339 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 339 F C 2.424 178.114 175.800 -0.182 0.000 1.105 339 F CA 2.299 60.203 58.000 -0.160 0.000 1.239 339 F CB -0.549 38.346 39.000 -0.175 0.000 0.991 339 F HN 0.194 nan 8.300 nan 0.000 0.474 340 T N 0.170 114.744 114.554 0.034 0.000 2.746 340 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 340 T C 1.672 176.312 174.700 -0.100 0.000 1.039 340 T CA 1.828 63.954 62.100 0.043 0.000 1.142 340 T CB -0.338 68.650 68.868 0.200 0.000 0.866 340 T HN 0.387 nan 8.240 nan 0.000 0.444 341 E N 1.045 121.176 120.200 -0.115 0.000 2.077 341 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 341 E C 2.499 178.937 176.600 -0.270 0.000 0.989 341 E CA 1.087 57.399 56.400 -0.146 0.000 0.800 341 E CB -0.214 29.417 29.700 -0.115 0.000 0.746 341 E HN 0.485 nan 8.360 nan 0.000 0.452 342 A N 1.073 123.657 122.820 -0.393 0.000 1.873 342 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 342 A C 2.152 179.214 177.584 -0.869 0.000 1.186 342 A CA 1.108 52.752 52.037 -0.655 0.000 0.616 342 A CB -0.293 18.341 19.000 -0.611 0.000 0.823 342 A HN 0.103 nan 8.150 nan 0.000 0.442 343 M N -0.162 119.034 119.600 -0.673 0.000 2.106 343 M HA -0.139 4.340 4.480 -0.000 0.000 0.259 343 M C 2.181 178.363 176.300 -0.196 0.000 1.068 343 M CA 2.080 57.123 55.300 -0.429 0.000 1.100 343 M CB -1.920 30.329 32.600 -0.586 0.000 1.351 343 M HN 0.444 nan 8.290 nan 0.000 0.404 344 T N 0.054 114.501 114.554 -0.178 0.000 2.746 344 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 344 T C 1.968 176.603 174.700 -0.109 0.000 1.039 344 T CA 1.087 63.136 62.100 -0.084 0.000 1.142 344 T CB -0.151 68.676 68.868 -0.067 0.000 0.866 344 T HN 0.373 nan 8.240 nan 0.000 0.444 345 R N 0.099 120.473 120.500 -0.211 0.000 2.105 345 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 345 R C 1.784 178.051 176.300 -0.055 0.000 1.135 345 R CA 1.224 57.218 56.100 -0.177 0.000 0.967 345 R CB -0.342 29.789 30.300 -0.281 0.000 0.861 345 R HN 0.432 nan 8.270 nan 0.000 0.442 346 Y N 0.243 120.491 120.300 -0.088 0.000 2.553 346 Y HA 0.082 4.632 4.550 -0.000 0.000 0.303 346 Y C 0.857 176.709 175.900 -0.079 0.000 1.194 346 Y CA -0.394 57.647 58.100 -0.098 0.000 1.305 346 Y CB -0.371 38.054 38.460 -0.058 0.000 1.045 346 Y HN -0.044 nan 8.280 nan 0.000 0.514 347 S N -0.026 115.714 115.700 0.066 0.000 3.886 347 S HA -0.076 4.394 4.470 -0.000 0.000 0.398 347 S C -0.029 174.584 174.600 0.021 0.000 0.931 347 S CA 0.471 58.692 58.200 0.036 0.000 1.217 347 S CB -1.390 61.820 63.200 0.017 0.000 0.874 347 S HN 0.703 nan 8.310 nan 0.000 0.521 348 A N 2.105 124.959 122.820 0.056 0.000 3.474 348 A HA 0.564 4.884 4.320 -0.000 0.000 0.251 348 A C -2.430 175.278 177.584 0.206 0.000 1.062 348 A CA -0.720 51.384 52.037 0.111 0.000 0.945 348 A CB 0.882 19.988 19.000 0.176 0.000 1.296 348 A HN 0.415 nan 8.150 nan 0.000 0.592 349 P HA 0.352 nan 4.420 nan 0.000 0.272 349 P C -2.942 174.414 177.300 0.093 0.000 1.230 349 P CA -1.092 62.065 63.100 0.094 0.000 0.788 349 P CB 0.519 32.201 31.700 -0.030 0.000 0.949 350 P HA 0.170 nan 4.420 nan 0.000 0.284 350 P C 0.554 177.789 177.300 -0.108 0.000 1.258 350 P CA -0.055 62.959 63.100 -0.143 0.000 0.824 350 P CB 1.119 32.734 31.700 -0.141 0.000 1.038 351 G N 1.736 110.462 108.800 -0.123 0.000 2.535 351 G HA2 0.011 3.970 3.960 -0.000 0.000 0.210 351 G HA3 0.011 3.970 3.960 -0.000 0.000 0.210 351 G C -0.204 174.649 174.900 -0.079 0.000 1.593 351 G CA 0.004 45.059 45.100 -0.075 0.000 0.948 351 G HN 0.456 nan 8.290 nan 0.000 0.476 352 D N 1.183 121.539 120.400 -0.074 0.000 2.493 352 D HA 0.113 4.753 4.640 -0.000 0.000 0.240 352 D C 0.493 176.745 176.300 -0.080 0.000 1.142 352 D CA 0.310 54.275 54.000 -0.060 0.000 0.872 352 D CB 1.107 41.881 40.800 -0.042 0.000 1.173 352 D HN 0.002 nan 8.370 nan 0.000 0.467 353 L N 4.293 125.490 121.223 -0.043 0.000 2.416 353 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 353 L C -1.568 175.301 176.870 -0.002 0.000 1.161 353 L CA -1.490 53.338 54.840 -0.020 0.000 0.845 353 L CB 0.050 42.107 42.059 -0.004 0.000 1.119 353 L HN 0.178 nan 8.230 nan 0.000 0.464 354 P HA 0.151 nan 4.420 nan 0.000 0.271 354 P C -1.187 176.109 177.300 -0.007 0.000 1.218 354 P CA -0.324 62.816 63.100 0.066 0.000 0.780 354 P CB 0.761 32.535 31.700 0.123 0.000 0.901 355 R N 2.232 122.739 120.500 0.012 0.000 2.673 355 R HA 0.590 4.930 4.340 -0.000 0.000 0.281 355 R C -2.938 173.352 176.300 -0.018 0.000 0.991 355 R CA -2.208 53.882 56.100 -0.017 0.000 0.896 355 R CB 1.710 32.011 30.300 0.002 0.000 1.201 355 R HN 0.187 nan 8.270 nan 0.000 0.457 356 P HA 0.133 nan 4.420 nan 0.000 0.271 356 P C -1.083 176.038 177.300 -0.299 0.000 1.216 356 P CA 0.019 63.014 63.100 -0.174 0.000 0.771 356 P CB 0.951 32.553 31.700 -0.163 0.000 0.864 357 E N 2.172 122.143 120.200 -0.382 0.000 2.222 357 E HA 0.235 4.585 4.350 -0.000 0.000 0.267 357 E C -0.619 175.763 176.600 -0.362 0.000 0.884 357 E CA -0.442 55.793 56.400 -0.275 0.000 0.764 357 E CB 1.513 31.162 29.700 -0.084 0.000 1.169 357 E HN 0.436 nan 8.360 nan 0.000 0.413 358 Y N -0.189 120.243 120.300 0.220 0.000 2.641 358 Y HA 0.206 4.756 4.550 -0.000 0.000 0.248 358 Y C 0.182 176.308 175.900 0.378 0.000 1.170 358 Y CA -0.396 57.904 58.100 0.333 0.000 1.201 358 Y CB 1.097 39.657 38.460 0.166 0.000 1.232 358 Y HN 0.259 nan 8.280 nan 0.000 0.537 359 D N 0.552 121.084 120.400 0.220 0.000 2.593 359 D HA 0.116 4.756 4.640 -0.000 0.000 0.251 359 D C 0.616 176.660 176.300 -0.428 0.000 1.140 359 D CA -0.252 53.737 54.000 -0.019 0.000 0.855 359 D CB 2.200 42.980 40.800 -0.032 0.000 1.267 359 D HN 0.171 nan 8.370 nan 0.000 0.532 360 L N 4.588 125.272 121.223 -0.898 0.000 2.079 360 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 360 L C 1.913 178.468 176.870 -0.525 0.000 1.081 360 L CA 1.955 56.125 54.840 -1.117 0.000 0.752 360 L CB -0.453 40.787 42.059 -1.365 0.000 0.896 360 L HN 0.617 nan 8.230 nan 0.000 0.433 361 E N -0.791 119.201 120.200 -0.347 0.000 2.265 361 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 361 E C 1.804 178.304 176.600 -0.167 0.000 0.996 361 E CA 0.957 57.237 56.400 -0.199 0.000 0.832 361 E CB -0.090 29.534 29.700 -0.126 0.000 0.756 361 E HN 0.623 nan 8.360 nan 0.000 0.491 362 L N 0.677 121.767 121.223 -0.222 0.000 2.607 362 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 362 L C 0.419 177.219 176.870 -0.116 0.000 1.123 362 L CA -0.276 54.459 54.840 -0.175 0.000 0.890 362 L CB 0.400 42.341 42.059 -0.197 0.000 1.103 362 L HN 0.051 nan 8.230 nan 0.000 0.468 363 I N 0.185 120.663 120.570 -0.154 0.000 2.342 363 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 363 I C 0.061 176.133 176.117 -0.075 0.000 1.010 363 I CA 0.193 61.423 61.300 -0.116 0.000 1.308 363 I CB 1.466 39.365 38.000 -0.168 0.000 1.400 363 I HN -0.092 nan 8.210 nan 0.000 0.488 364 T N 4.830 119.362 114.554 -0.036 0.000 2.770 364 T HA 0.208 4.558 4.350 -0.000 0.000 0.297 364 T C -0.118 174.574 174.700 -0.013 0.000 0.997 364 T CA -0.387 61.705 62.100 -0.013 0.000 0.949 364 T CB 0.845 69.716 68.868 0.005 0.000 0.941 364 T HN 0.583 nan 8.240 nan 0.000 0.457 365 S N 2.254 117.946 115.700 -0.013 0.000 2.474 365 S HA 0.335 4.805 4.470 -0.000 0.000 0.321 365 S C 0.577 175.173 174.600 -0.007 0.000 1.080 365 S CA -0.517 57.669 58.200 -0.023 0.000 1.106 365 S CB -0.340 62.836 63.200 -0.040 0.000 0.984 365 S HN 0.959 nan 8.310 nan 0.000 0.464 366 C N 3.757 123.050 119.300 -0.012 0.000 4.300 366 C HA -0.158 4.301 4.460 -0.000 0.000 0.304 366 C C 1.203 176.235 174.990 0.070 0.000 1.367 366 C CA 0.580 59.606 59.018 0.013 0.000 2.032 366 C CB -3.346 24.379 27.740 -0.025 0.000 1.285 366 C HN 1.384 nan 8.230 nan 0.000 0.737 367 S N -1.861 113.874 115.700 0.057 0.000 3.358 367 S HA -0.204 4.266 4.470 -0.000 0.000 0.309 367 S C 0.310 174.954 174.600 0.075 0.000 1.247 367 S CA 1.330 59.566 58.200 0.061 0.000 0.961 367 S CB -0.851 62.393 63.200 0.074 0.000 1.074 367 S HN 1.047 nan 8.310 nan 0.000 0.625 368 S N 1.975 117.731 115.700 0.093 0.000 2.600 368 S HA 0.773 5.243 4.470 -0.000 0.000 0.300 368 S C -0.226 174.413 174.600 0.065 0.000 1.087 368 S CA -0.900 57.380 58.200 0.133 0.000 0.965 368 S CB 1.748 65.098 63.200 0.250 0.000 1.089 368 S HN 0.609 nan 8.310 nan 0.000 0.496 369 N N -0.634 118.100 118.700 0.057 0.000 2.525 369 N HA 0.445 5.185 4.740 -0.000 0.000 0.270 369 N C -1.657 173.826 175.510 -0.045 0.000 1.321 369 N CA -0.613 52.433 53.050 -0.008 0.000 0.797 369 N CB 1.061 39.542 38.487 -0.011 0.000 1.529 369 N HN 0.323 nan 8.380 nan 0.000 0.491 370 V N 0.440 120.289 119.914 -0.108 0.000 2.546 370 V HA 0.472 4.592 4.120 -0.000 0.000 0.284 370 V C 0.404 176.370 176.094 -0.213 0.000 1.050 370 V CA -0.128 62.075 62.300 -0.162 0.000 0.981 370 V CB 0.902 32.631 31.823 -0.155 0.000 0.990 370 V HN 0.839 nan 8.190 nan 0.000 0.474 371 S N 2.950 118.391 115.700 -0.431 0.000 2.697 371 S HA 0.825 5.294 4.470 -0.000 0.000 0.289 371 S C -1.308 172.986 174.600 -0.510 0.000 1.149 371 S CA -0.485 57.452 58.200 -0.439 0.000 0.850 371 S CB 2.104 65.028 63.200 -0.460 0.000 1.151 371 S HN 0.586 nan 8.310 nan 0.000 0.491 372 V N 1.004 120.785 119.914 -0.222 0.000 2.876 372 V HA 0.991 5.111 4.120 -0.000 0.000 0.312 372 V C -0.332 175.786 176.094 0.039 0.000 1.085 372 V CA 0.251 62.432 62.300 -0.197 0.000 0.945 372 V CB 1.464 33.017 31.823 -0.450 0.000 1.017 372 V HN 1.294 nan 8.190 nan 0.000 0.428 373 A N 4.937 127.727 122.820 -0.050 0.000 2.533 373 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 373 A C -1.859 175.509 177.584 -0.359 0.000 1.228 373 A CA -0.753 51.128 52.037 -0.260 0.000 0.689 373 A CB 1.440 20.120 19.000 -0.533 0.000 1.303 373 A HN 0.788 nan 8.150 nan 0.000 0.444 374 L N 1.091 121.989 121.223 -0.542 0.000 2.334 374 L HA 0.474 4.814 4.340 -0.000 0.000 0.273 374 L C -0.421 176.137 176.870 -0.520 0.000 1.013 374 L CA -0.960 53.564 54.840 -0.526 0.000 0.816 374 L CB 1.808 43.498 42.059 -0.615 0.000 1.278 374 L HN 0.975 nan 8.230 nan 0.000 0.431 375 D N -0.468 119.798 120.400 -0.223 0.000 2.539 375 D HA 0.115 4.755 4.640 -0.000 0.000 0.276 375 D C 0.970 177.338 176.300 0.113 0.000 1.206 375 D CA -0.277 53.687 54.000 -0.060 0.000 1.081 375 D CB 0.664 41.437 40.800 -0.045 0.000 1.142 375 D HN 0.456 nan 8.370 nan 0.000 0.595 376 S N -1.185 114.579 115.700 0.107 0.000 2.474 376 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 376 S C 1.420 176.063 174.600 0.071 0.000 0.997 376 S CA 0.301 58.561 58.200 0.100 0.000 0.949 376 S CB -0.394 62.836 63.200 0.051 0.000 0.766 376 S HN 0.477 nan 8.310 nan 0.000 0.517 377 R N 0.671 121.204 120.500 0.054 0.000 2.317 377 R HA 0.271 4.611 4.340 -0.000 0.000 0.208 377 R C 1.400 177.723 176.300 0.039 0.000 0.914 377 R CA 0.394 56.517 56.100 0.037 0.000 1.060 377 R CB -0.103 30.210 30.300 0.023 0.000 1.015 377 R HN 0.580 nan 8.270 nan 0.000 0.498 378 G N 1.915 110.752 108.800 0.060 0.000 2.143 378 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.249 378 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.249 378 G C -0.013 174.879 174.900 -0.014 0.000 0.981 378 G CA -0.107 45.018 45.100 0.041 0.000 0.665 378 G HN 0.274 nan 8.290 nan 0.000 0.528 379 R N 0.050 120.535 120.500 -0.025 0.000 2.441 379 R HA 0.489 4.829 4.340 -0.000 0.000 0.284 379 R C 0.710 176.956 176.300 -0.089 0.000 1.070 379 R CA -0.639 55.438 56.100 -0.038 0.000 1.047 379 R CB 0.704 30.994 30.300 -0.018 0.000 1.016 379 R HN 0.254 nan 8.270 nan 0.000 0.477 380 R N 2.103 122.546 120.500 -0.096 0.000 2.489 380 R HA 0.118 4.458 4.340 -0.000 0.000 0.287 380 R C -0.072 176.122 176.300 -0.177 0.000 1.053 380 R CA 0.164 56.153 56.100 -0.185 0.000 1.036 380 R CB 0.498 30.682 30.300 -0.194 0.000 0.966 380 R HN 0.224 nan 8.270 nan 0.000 0.432 381 R N 3.041 123.396 120.500 -0.242 0.000 2.575 381 R HA 0.285 4.625 4.340 -0.000 0.000 0.293 381 R C -1.147 175.075 176.300 -0.130 0.000 0.983 381 R CA -0.913 55.122 56.100 -0.108 0.000 0.887 381 R CB 1.409 31.678 30.300 -0.053 0.000 1.184 381 R HN 0.512 nan 8.270 nan 0.000 0.445 382 Y N 2.632 122.993 120.300 0.102 0.000 2.419 382 Y HA 0.615 5.165 4.550 -0.000 0.000 0.328 382 Y C 0.384 176.393 175.900 0.181 0.000 1.162 382 Y CA -0.590 57.551 58.100 0.069 0.000 1.174 382 Y CB 1.328 39.765 38.460 -0.038 0.000 1.228 382 Y HN 0.542 nan 8.280 nan 0.000 0.473 383 F N -0.406 119.638 119.950 0.156 0.000 2.713 383 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 383 F C -2.348 173.524 175.800 0.120 0.000 1.141 383 F CA -1.471 56.587 58.000 0.096 0.000 0.939 383 F CB 0.682 39.699 39.000 0.027 0.000 1.325 383 F HN 0.258 nan 8.300 nan 0.000 0.453 384 L N 1.913 123.278 121.223 0.237 0.000 2.312 384 L HA 0.766 5.106 4.340 -0.000 0.000 0.281 384 L C 0.012 177.164 176.870 0.470 0.000 1.070 384 L CA 0.530 55.511 54.840 0.236 0.000 0.805 384 L CB 1.323 43.533 42.059 0.252 0.000 1.174 384 L HN 1.014 nan 8.230 nan 0.000 0.434 385 T N 4.358 119.123 114.554 0.353 0.000 2.778 385 T HA 0.865 5.215 4.350 -0.000 0.000 0.293 385 T C -1.146 173.634 174.700 0.134 0.000 1.144 385 T CA -0.601 61.715 62.100 0.360 0.000 1.010 385 T CB 1.185 70.290 68.868 0.394 0.000 1.325 385 T HN 0.847 nan 8.240 nan 0.000 0.515 386 R N 0.499 120.989 120.500 -0.016 0.000 2.747 386 R HA 0.489 4.829 4.340 -0.000 0.000 0.272 386 R C -1.446 174.630 176.300 -0.374 0.000 1.032 386 R CA -1.020 54.974 56.100 -0.178 0.000 0.896 386 R CB 0.325 30.477 30.300 -0.247 0.000 1.253 386 R HN 0.516 nan 8.270 nan 0.000 0.461 387 D N 1.862 122.060 120.400 -0.337 0.000 2.472 387 D HA 0.040 4.680 4.640 -0.000 0.000 0.248 387 D C -1.377 174.540 176.300 -0.639 0.000 1.174 387 D CA -1.123 52.631 54.000 -0.409 0.000 0.883 387 D CB 1.204 41.863 40.800 -0.235 0.000 1.149 387 D HN 0.339 nan 8.370 nan 0.000 0.488 388 P HA 0.023 nan 4.420 nan 0.000 0.253 388 P C 1.086 178.068 177.300 -0.529 0.000 1.260 388 P CA 0.054 62.475 63.100 -1.130 0.000 0.800 388 P CB 0.380 31.239 31.700 -1.401 0.000 1.162 389 T N -0.240 114.115 114.554 -0.332 0.000 2.643 389 T HA -0.114 4.236 4.350 -0.000 0.000 0.264 389 T C 1.779 176.413 174.700 -0.112 0.000 1.045 389 T CA 2.274 64.276 62.100 -0.163 0.000 1.155 389 T CB -1.037 67.776 68.868 -0.092 0.000 0.863 389 T HN 0.179 nan 8.240 nan 0.000 0.420 390 T N 2.320 116.811 114.554 -0.105 0.000 2.708 390 T HA -0.052 4.297 4.350 -0.000 0.000 0.266 390 T C -0.571 174.090 174.700 -0.066 0.000 1.037 390 T CA 1.220 63.279 62.100 -0.068 0.000 1.146 390 T CB -1.240 67.609 68.868 -0.031 0.000 0.865 390 T HN 0.323 nan 8.240 nan 0.000 0.435 391 P HA -0.039 nan 4.420 nan 0.000 0.216 391 P C 1.377 178.729 177.300 0.088 0.000 1.153 391 P CA 1.069 64.197 63.100 0.047 0.000 0.858 391 P CB -0.171 31.571 31.700 0.070 0.000 0.789 392 I N -1.722 118.852 120.570 0.006 0.000 2.353 392 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 392 I C 2.069 178.217 176.117 0.052 0.000 1.119 392 I CA 1.407 62.724 61.300 0.029 0.000 1.417 392 I CB -0.962 37.015 38.000 -0.039 0.000 1.078 392 I HN -0.019 nan 8.210 nan 0.000 0.421 393 T N 0.557 115.133 114.554 0.037 0.000 2.746 393 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 393 T C 2.034 176.803 174.700 0.115 0.000 1.039 393 T CA 1.271 63.413 62.100 0.069 0.000 1.142 393 T CB -0.185 68.701 68.868 0.030 0.000 0.866 393 T HN 0.291 nan 8.240 nan 0.000 0.444 394 R N 0.886 121.428 120.500 0.071 0.000 2.115 394 R HA 0.092 4.432 4.340 -0.000 0.000 0.230 394 R C 2.800 179.267 176.300 0.277 0.000 1.111 394 R CA 1.078 57.244 56.100 0.110 0.000 0.976 394 R CB -0.410 29.902 30.300 0.019 0.000 0.870 394 R HN 0.341 nan 8.270 nan 0.000 0.445 395 A N 1.412 124.411 122.820 0.300 0.000 1.902 395 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 395 A C 2.373 180.159 177.584 0.338 0.000 1.181 395 A CA 1.759 54.070 52.037 0.457 0.000 0.623 395 A CB -0.589 18.681 19.000 0.449 0.000 0.818 395 A HN 0.391 nan 8.150 nan 0.000 0.443 396 A N -1.381 121.553 122.820 0.190 0.000 1.873 396 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 396 A C 2.108 179.837 177.584 0.242 0.000 1.186 396 A CA 1.365 53.486 52.037 0.140 0.000 0.616 396 A CB -0.876 18.186 19.000 0.105 0.000 0.823 396 A HN 0.834 nan 8.150 nan 0.000 0.442 397 W N 1.120 122.486 121.300 0.110 0.000 2.355 397 W HA -0.159 4.501 4.660 -0.000 0.000 0.309 397 W C 1.630 178.247 176.519 0.164 0.000 1.206 397 W CA 2.019 59.431 57.345 0.111 0.000 1.284 397 W CB -0.365 29.139 29.460 0.072 0.000 1.145 397 W HN 0.548 nan 8.180 nan 0.000 0.502 398 E N -0.711 119.811 120.200 0.536 0.000 2.347 398 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 398 E C 1.975 178.851 176.600 0.460 0.000 1.008 398 E CA 1.417 58.117 56.400 0.500 0.000 0.852 398 E CB -0.148 29.857 29.700 0.509 0.000 0.783 398 E HN 0.098 nan 8.360 nan 0.000 0.505 399 T N 0.394 115.181 114.554 0.387 0.000 2.788 399 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 399 T C 2.047 176.901 174.700 0.257 0.000 1.044 399 T CA 1.520 63.806 62.100 0.310 0.000 1.139 399 T CB 0.036 69.042 68.868 0.229 0.000 0.867 399 T HN 0.214 nan 8.240 nan 0.000 0.454 400 V N -2.221 117.774 119.914 0.136 0.000 3.431 400 V HA 0.418 4.538 4.120 -0.000 0.000 0.253 400 V C 0.579 176.646 176.094 -0.044 0.000 1.184 400 V CA 0.003 62.302 62.300 -0.001 0.000 1.104 400 V CB -0.024 31.738 31.823 -0.101 0.000 0.799 400 V HN 0.086 nan 8.190 nan 0.000 0.462 401 R N 1.080 121.599 120.500 0.032 0.000 2.415 401 R HA 0.426 4.765 4.340 -0.000 0.000 0.292 401 R C -0.884 175.595 176.300 0.299 0.000 1.295 401 R CA -0.296 55.846 56.100 0.071 0.000 1.137 401 R CB 0.246 30.537 30.300 -0.015 0.000 1.135 401 R HN 0.630 nan 8.270 nan 0.000 0.560 402 H N 0.559 119.705 119.070 0.127 0.000 2.928 402 H HA 0.047 4.603 4.556 -0.000 0.000 0.338 402 H C 0.333 175.739 175.328 0.130 0.000 1.047 402 H CA 0.408 56.551 56.048 0.158 0.000 1.435 402 H CB 1.155 30.993 29.762 0.127 0.000 1.428 402 H HN 0.295 nan 8.280 nan 0.000 0.590 403 S N 3.082 118.926 115.700 0.239 0.000 2.472 403 S HA 0.166 4.636 4.470 -0.000 0.000 0.303 403 S C -1.576 173.053 174.600 0.049 0.000 1.099 403 S CA -1.716 56.557 58.200 0.122 0.000 1.077 403 S CB 1.233 64.501 63.200 0.113 0.000 1.031 403 S HN 0.439 nan 8.310 nan 0.000 0.487 404 P HA -0.077 nan 4.420 nan 0.000 0.217 404 P C -0.403 176.902 177.300 0.008 0.000 1.148 404 P CA 0.968 64.028 63.100 -0.066 0.000 0.834 404 P CB 0.004 31.566 31.700 -0.229 0.000 0.783 405 V N 0.692 120.599 119.914 -0.013 0.000 2.350 405 V HA 0.221 4.341 4.120 -0.000 0.000 0.285 405 V C 0.014 176.068 176.094 -0.067 0.000 1.014 405 V CA -0.893 61.385 62.300 -0.037 0.000 0.831 405 V CB 1.306 33.103 31.823 -0.044 0.000 1.000 405 V HN -0.008 nan 8.190 nan 0.000 0.433 406 N N 3.363 121.962 118.700 -0.168 0.000 2.555 406 N HA 0.034 4.774 4.740 -0.000 0.000 0.244 406 N C 1.574 176.798 175.510 -0.477 0.000 1.114 406 N CA 0.347 53.155 53.050 -0.404 0.000 0.963 406 N CB 1.549 39.512 38.487 -0.873 0.000 1.276 406 N HN 0.866 nan 8.380 nan 0.000 0.510 407 S N 2.320 117.916 115.700 -0.174 0.000 2.387 407 S HA -0.167 4.303 4.470 -0.000 0.000 0.230 407 S C 1.842 176.395 174.600 -0.078 0.000 1.035 407 S CA 0.649 58.811 58.200 -0.063 0.000 1.014 407 S CB -0.492 62.731 63.200 0.039 0.000 0.836 407 S HN 0.793 nan 8.310 nan 0.000 0.466 408 W N 1.023 122.259 121.300 -0.106 0.000 2.350 408 W HA -0.008 4.652 4.660 -0.000 0.000 0.289 408 W C 1.763 178.150 176.519 -0.219 0.000 1.215 408 W CA 0.483 57.719 57.345 -0.183 0.000 1.236 408 W CB -1.113 28.004 29.460 -0.571 0.000 1.130 408 W HN 0.362 nan 8.180 nan 0.000 0.541 409 L N 2.771 123.419 121.223 -0.958 0.000 2.072 409 L HA 0.173 4.513 4.340 -0.000 0.000 0.205 409 L C 2.642 179.121 176.870 -0.652 0.000 1.079 409 L CA 2.607 56.904 54.840 -0.906 0.000 0.752 409 L CB -1.376 39.906 42.059 -1.295 0.000 0.906 409 L HN 0.037 nan 8.230 nan 0.000 0.436 410 G N -0.751 107.777 108.800 -0.452 0.000 2.432 410 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 410 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 410 G C 1.448 176.324 174.900 -0.040 0.000 1.135 410 G CA 0.676 45.657 45.100 -0.197 0.000 0.767 410 G HN 0.429 nan 8.290 nan 0.000 0.550 411 N N 0.561 119.302 118.700 0.067 0.000 2.188 411 N HA -0.000 4.740 4.740 -0.000 0.000 0.184 411 N C 2.231 177.828 175.510 0.145 0.000 1.018 411 N CA 0.531 53.742 53.050 0.269 0.000 0.858 411 N CB -0.118 38.615 38.487 0.409 0.000 0.989 411 N HN 0.334 nan 8.380 nan 0.000 0.426 412 I N 0.907 121.506 120.570 0.049 0.000 2.179 412 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 412 I C 2.007 178.126 176.117 0.003 0.000 1.088 412 I CA 1.036 62.354 61.300 0.030 0.000 1.357 412 I CB -0.137 37.914 38.000 0.084 0.000 1.051 412 I HN 0.033 nan 8.210 nan 0.000 0.409 413 I N -0.012 120.521 120.570 -0.061 0.000 2.233 413 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 413 I C 2.668 178.877 176.117 0.154 0.000 1.093 413 I CA 1.280 62.595 61.300 0.024 0.000 1.380 413 I CB -0.293 37.627 38.000 -0.132 0.000 1.067 413 I HN 0.281 nan 8.210 nan 0.000 0.413 414 Q N 0.220 120.029 119.800 0.015 0.000 2.119 414 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 414 Q C 0.689 176.499 176.000 -0.316 0.000 0.972 414 Q CA 1.618 57.336 55.803 -0.142 0.000 0.847 414 Q CB 0.212 28.710 28.738 -0.401 0.000 0.903 414 Q HN 0.524 nan 8.270 nan 0.000 0.433 415 Y N -1.384 118.911 120.300 -0.008 0.000 2.720 415 Y HA 0.434 4.984 4.550 -0.000 0.000 0.268 415 Y C 1.122 176.765 175.900 -0.428 0.000 1.142 415 Y CA -0.134 57.841 58.100 -0.208 0.000 1.193 415 Y CB 0.024 38.323 38.460 -0.267 0.000 1.176 415 Y HN 0.159 nan 8.280 nan 0.000 0.542 416 A N 1.005 123.651 122.820 -0.291 0.000 1.948 416 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 416 A C -0.386 176.968 177.584 -0.382 0.000 1.177 416 A CA 1.646 53.516 52.037 -0.278 0.000 0.636 416 A CB -1.370 17.568 19.000 -0.104 0.000 0.815 416 A HN 0.262 nan 8.150 nan 0.000 0.449 417 P HA 0.018 nan 4.420 nan 0.000 0.237 417 P C 0.626 177.598 177.300 -0.546 0.000 1.178 417 P CA 1.210 64.009 63.100 -0.502 0.000 0.766 417 P CB -0.477 30.895 31.700 -0.547 0.000 0.876 418 T N -3.118 111.115 114.554 -0.534 0.000 2.868 418 T HA 0.195 4.545 4.350 -0.000 0.000 0.292 418 T C 1.225 175.507 174.700 -0.697 0.000 1.028 418 T CA -0.641 61.099 62.100 -0.600 0.000 1.059 418 T CB 0.666 69.052 68.868 -0.803 0.000 0.991 418 T HN -0.120 nan 8.240 nan 0.000 0.531 419 I N 1.365 121.431 120.570 -0.842 0.000 2.394 419 I HA -0.039 4.131 4.170 -0.000 0.000 0.251 419 I C 2.065 177.891 176.117 -0.485 0.000 1.136 419 I CA 1.031 61.873 61.300 -0.763 0.000 1.425 419 I CB -0.125 37.307 38.000 -0.946 0.000 1.079 419 I HN 0.870 nan 8.210 nan 0.000 0.425 420 W N -0.203 120.868 121.300 -0.381 0.000 2.418 420 W HA -0.013 4.647 4.660 0.000 0.000 0.292 420 W C 1.851 178.221 176.519 -0.249 0.000 1.213 420 W CA 0.521 57.682 57.345 -0.306 0.000 1.283 420 W CB -1.531 27.780 29.460 -0.250 0.000 1.119 420 W HN -0.065 nan 8.180 nan 0.000 0.542 421 V N 2.352 121.831 119.914 -0.725 0.000 2.379 421 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 421 V C 2.840 178.772 176.094 -0.270 0.000 1.044 421 V CA 2.167 64.178 62.300 -0.482 0.000 1.036 421 V CB -0.733 30.719 31.823 -0.618 0.000 0.664 421 V HN 0.058 nan 8.190 nan 0.000 0.453 422 R N -0.762 119.508 120.500 -0.385 0.000 2.075 422 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 422 R C 2.259 178.382 176.300 -0.295 0.000 1.126 422 R CA 1.508 57.398 56.100 -0.349 0.000 0.963 422 R CB -0.241 29.721 30.300 -0.564 0.000 0.858 422 R HN 0.433 nan 8.270 nan 0.000 0.435 423 M N -0.675 118.645 119.600 -0.466 0.000 2.357 423 M HA -0.031 4.449 4.480 -0.000 0.000 0.266 423 M C 1.871 178.108 176.300 -0.105 0.000 1.095 423 M CA 1.012 56.108 55.300 -0.340 0.000 1.156 423 M CB 0.442 32.765 32.600 -0.463 0.000 1.365 423 M HN -0.020 nan 8.290 nan 0.000 0.447 424 V N -0.156 119.524 119.914 -0.390 0.000 2.602 424 V HA -0.041 4.079 4.120 -0.000 0.000 0.235 424 V C 2.203 178.061 176.094 -0.393 0.000 1.087 424 V CA 0.582 62.342 62.300 -0.900 0.000 1.117 424 V CB -0.233 31.021 31.823 -0.948 0.000 0.820 424 V HN 0.241 nan 8.190 nan 0.000 0.490 425 I N 0.008 120.530 120.570 -0.080 0.000 2.142 425 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 425 I C 2.547 178.898 176.117 0.390 0.000 1.078 425 I CA 2.033 63.460 61.300 0.213 0.000 1.343 425 I CB -0.936 37.246 38.000 0.304 0.000 1.046 425 I HN 0.301 nan 8.210 nan 0.000 0.405 426 M N 0.226 120.035 119.600 0.348 0.000 2.080 426 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 426 M C 2.322 179.068 176.300 0.743 0.000 1.068 426 M CA 2.131 57.760 55.300 0.548 0.000 1.109 426 M CB -0.701 32.072 32.600 0.288 0.000 1.342 426 M HN 0.248 nan 8.290 nan 0.000 0.405 427 T N -1.379 113.569 114.554 0.657 0.000 2.684 427 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 427 T C 1.620 176.588 174.700 0.447 0.000 1.036 427 T CA 1.951 64.432 62.100 0.634 0.000 1.148 427 T CB -0.545 68.740 68.868 0.696 0.000 0.863 427 T HN 0.493 nan 8.240 nan 0.000 0.436 428 H N 0.200 119.414 119.070 0.240 0.000 2.321 428 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 428 H C 1.755 176.954 175.328 -0.215 0.000 1.087 428 H CA 1.631 57.685 56.048 0.011 0.000 1.319 428 H CB -0.409 29.219 29.762 -0.224 0.000 1.379 428 H HN 0.348 nan 8.280 nan 0.000 0.501 429 F N -1.233 118.685 119.950 -0.054 0.000 2.270 429 F HA 0.036 4.563 4.527 -0.000 0.000 0.295 429 F C 1.917 177.579 175.800 -0.230 0.000 1.087 429 F CA 0.445 58.214 58.000 -0.386 0.000 1.365 429 F CB -0.483 38.054 39.000 -0.771 0.000 1.056 429 F HN 0.136 nan 8.300 nan 0.000 0.506 430 F N -0.521 119.534 119.950 0.174 0.000 2.234 430 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 430 F C 2.734 178.556 175.800 0.037 0.000 1.087 430 F CA 1.497 59.594 58.000 0.161 0.000 1.340 430 F CB -0.824 38.352 39.000 0.294 0.000 1.031 430 F HN -0.110 nan 8.300 nan 0.000 0.500 431 S N 0.349 116.127 115.700 0.129 0.000 2.356 431 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 431 S C 2.143 176.707 174.600 -0.060 0.000 1.032 431 S CA 1.412 59.615 58.200 0.005 0.000 1.005 431 S CB -0.444 62.734 63.200 -0.036 0.000 0.867 431 S HN 0.315 nan 8.310 nan 0.000 0.449 432 I N 1.235 121.710 120.570 -0.158 0.000 2.226 432 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 432 I C 2.178 178.262 176.117 -0.055 0.000 1.100 432 I CA 1.089 62.297 61.300 -0.154 0.000 1.374 432 I CB -0.343 37.495 38.000 -0.270 0.000 1.057 432 I HN 0.305 nan 8.210 nan 0.000 0.413 433 L N 0.028 121.226 121.223 -0.042 0.000 2.046 433 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 433 L C 2.518 179.407 176.870 0.032 0.000 1.077 433 L CA 1.325 56.162 54.840 -0.005 0.000 0.747 433 L CB -0.544 41.480 42.059 -0.058 0.000 0.896 433 L HN 0.265 nan 8.230 nan 0.000 0.432 434 L N -0.423 120.829 121.223 0.049 0.000 2.083 434 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 434 L C 2.845 179.729 176.870 0.024 0.000 1.083 434 L CA 1.176 56.047 54.840 0.051 0.000 0.752 434 L CB -0.677 41.414 42.059 0.053 0.000 0.899 434 L HN 0.241 nan 8.230 nan 0.000 0.433 435 A N -0.703 122.121 122.820 0.006 0.000 1.930 435 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 435 A C 2.163 179.753 177.584 0.010 0.000 1.175 435 A CA 1.309 53.344 52.037 -0.002 0.000 0.627 435 A CB -0.315 18.672 19.000 -0.022 0.000 0.815 435 A HN 0.493 nan 8.150 nan 0.000 0.443 436 Q N -1.632 118.180 119.800 0.021 0.000 2.424 436 Q HA 0.019 4.359 4.340 -0.000 0.000 0.204 436 Q C -0.179 175.844 176.000 0.038 0.000 0.933 436 Q CA 0.372 56.197 55.803 0.036 0.000 0.929 436 Q CB 0.160 28.933 28.738 0.059 0.000 1.037 436 Q HN 0.624 nan 8.270 nan 0.000 0.511 437 D N 0.565 120.987 120.400 0.036 0.000 2.689 437 D HA -0.143 4.496 4.640 -0.000 0.000 0.237 437 D C -0.322 176.006 176.300 0.048 0.000 1.148 437 D CA 1.310 55.334 54.000 0.041 0.000 0.656 437 D CB -0.895 39.925 40.800 0.033 0.000 1.050 437 D HN 0.421 nan 8.370 nan 0.000 0.426 438 T N -3.348 111.238 114.554 0.053 0.000 3.296 438 T HA 0.220 4.570 4.350 -0.000 0.000 0.285 438 T C 1.529 176.264 174.700 0.059 0.000 1.014 438 T CA -0.556 61.580 62.100 0.059 0.000 0.920 438 T CB 0.175 69.086 68.868 0.070 0.000 1.143 438 T HN 0.067 nan 8.240 nan 0.000 0.522 439 L N 2.181 123.441 121.223 0.062 0.000 2.043 439 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 439 L C 2.030 178.945 176.870 0.074 0.000 1.075 439 L CA 1.572 56.455 54.840 0.071 0.000 0.752 439 L CB -1.001 41.124 42.059 0.111 0.000 0.891 439 L HN 0.380 nan 8.230 nan 0.000 0.432 440 N N -0.626 118.116 118.700 0.070 0.000 2.449 440 N HA -0.041 4.699 4.740 -0.000 0.000 0.191 440 N C -0.002 175.546 175.510 0.063 0.000 1.161 440 N CA 0.166 53.256 53.050 0.067 0.000 0.863 440 N CB 0.167 38.689 38.487 0.059 0.000 0.980 440 N HN 0.376 nan 8.380 nan 0.000 0.458 441 Q N 0.692 120.531 119.800 0.064 0.000 2.257 441 Q HA 0.192 4.532 4.340 -0.000 0.000 0.255 441 Q C -0.738 175.301 176.000 0.067 0.000 0.920 441 Q CA -0.548 55.294 55.803 0.065 0.000 0.927 441 Q CB 1.083 29.862 28.738 0.068 0.000 1.229 441 Q HN 0.158 nan 8.270 nan 0.000 0.433 442 N N 1.927 120.668 118.700 0.069 0.000 2.492 442 N HA 0.208 4.948 4.740 -0.000 0.000 0.262 442 N C -0.833 174.719 175.510 0.070 0.000 1.202 442 N CA 0.412 53.508 53.050 0.075 0.000 0.926 442 N CB 0.524 39.061 38.487 0.084 0.000 1.078 442 N HN 0.319 nan 8.380 nan 0.000 0.454 443 L N 1.743 123.003 121.223 0.062 0.000 2.370 443 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 443 L C -0.259 176.655 176.870 0.072 0.000 1.002 443 L CA -1.171 53.691 54.840 0.036 0.000 0.818 443 L CB 1.699 43.730 42.059 -0.048 0.000 1.325 443 L HN 0.426 nan 8.230 nan 0.000 0.418 444 N N 1.859 120.591 118.700 0.052 0.000 2.515 444 N HA 0.678 5.418 4.740 -0.000 0.000 0.279 444 N C -0.957 174.574 175.510 0.034 0.000 1.164 444 N CA -0.085 52.988 53.050 0.038 0.000 0.982 444 N CB 1.413 39.922 38.487 0.036 0.000 1.170 444 N HN 0.450 nan 8.380 nan 0.000 0.474 445 F N -2.385 117.465 119.950 -0.168 0.000 2.678 445 F HA 0.479 5.006 4.527 -0.000 0.000 0.308 445 F C -0.636 175.070 175.800 -0.157 0.000 1.118 445 F CA -1.069 56.798 58.000 -0.221 0.000 0.959 445 F CB 1.102 39.907 39.000 -0.325 0.000 1.305 445 F HN 0.176 nan 8.300 nan 0.000 0.443 446 E N 2.305 122.490 120.200 -0.025 0.000 2.319 446 E HA 0.535 4.885 4.350 -0.000 0.000 0.268 446 E C -1.254 175.410 176.600 0.107 0.000 1.050 446 E CA -0.800 55.568 56.400 -0.053 0.000 0.878 446 E CB 1.897 31.592 29.700 -0.008 0.000 1.066 446 E HN 0.735 nan 8.360 nan 0.000 0.406 447 M N 2.493 122.146 119.600 0.088 0.000 2.355 447 M HA 0.095 4.575 4.480 -0.000 0.000 0.232 447 M C -1.945 174.550 176.300 0.325 0.000 0.988 447 M CA -0.140 55.297 55.300 0.228 0.000 0.931 447 M CB 0.621 33.282 32.600 0.102 0.000 2.294 447 M HN 0.503 nan 8.290 nan 0.000 0.459 448 Y N 2.631 123.002 120.300 0.118 0.000 3.234 448 Y HA -0.029 4.521 4.550 -0.000 0.000 0.207 448 Y C 1.203 177.017 175.900 -0.144 0.000 1.316 448 Y CA 1.774 59.901 58.100 0.045 0.000 1.309 448 Y CB -2.112 36.424 38.460 0.126 0.000 1.408 448 Y HN 1.387 nan 8.280 nan 0.000 0.544 449 G N -1.350 107.463 108.800 0.022 0.000 2.225 449 G HA2 0.135 4.095 3.960 -0.000 0.000 0.267 449 G HA3 0.135 4.095 3.960 -0.000 0.000 0.267 449 G C 0.262 175.086 174.900 -0.126 0.000 1.024 449 G CA 0.506 45.557 45.100 -0.082 0.000 0.784 449 G HN 1.714 nan 8.290 nan 0.000 0.507 450 A N -1.671 121.053 122.820 -0.160 0.000 2.566 450 A HA 0.902 5.222 4.320 -0.000 0.000 0.292 450 A C -0.536 176.698 177.584 -0.584 0.000 1.112 450 A CA -0.201 51.602 52.037 -0.390 0.000 0.707 450 A CB 2.038 20.744 19.000 -0.490 0.000 1.302 450 A HN 1.238 nan 8.150 nan 0.000 0.409 451 V N 0.996 120.455 119.914 -0.758 0.000 2.513 451 V HA 0.624 4.744 4.120 -0.000 0.000 0.299 451 V C -1.052 174.374 176.094 -1.113 0.000 1.035 451 V CA -0.224 61.680 62.300 -0.660 0.000 0.889 451 V CB 1.001 32.692 31.823 -0.219 0.000 0.988 451 V HN 0.801 nan 8.190 nan 0.000 0.440 452 Y N 1.143 120.919 120.300 -0.874 0.000 2.665 452 Y HA 0.686 5.236 4.550 -0.000 0.000 0.336 452 Y C 0.280 175.772 175.900 -0.680 0.000 1.085 452 Y CA -0.947 56.554 58.100 -0.999 0.000 1.096 452 Y CB 2.218 39.762 38.460 -1.527 0.000 1.301 452 Y HN 0.494 nan 8.280 nan 0.000 0.493 453 S N 0.762 116.354 115.700 -0.179 0.000 2.647 453 S HA 0.801 5.271 4.470 -0.000 0.000 0.300 453 S C -1.847 172.860 174.600 0.178 0.000 1.129 453 S CA -0.431 57.800 58.200 0.051 0.000 1.029 453 S CB 0.640 63.893 63.200 0.088 0.000 1.007 453 S HN 0.431 nan 8.310 nan 0.000 0.484 454 V N 4.960 125.019 119.914 0.241 0.000 2.789 454 V HA 0.528 4.648 4.120 -0.000 0.000 0.311 454 V C -0.455 175.711 176.094 0.121 0.000 1.073 454 V CA -1.076 61.354 62.300 0.218 0.000 0.921 454 V CB 2.258 34.211 31.823 0.216 0.000 1.009 454 V HN 0.878 nan 8.190 nan 0.000 0.426 455 N N 4.532 123.300 118.700 0.114 0.000 2.419 455 N HA 0.309 5.049 4.740 -0.000 0.000 0.264 455 N C -1.928 173.634 175.510 0.087 0.000 1.031 455 N CA -1.744 51.359 53.050 0.089 0.000 0.951 455 N CB 2.259 40.799 38.487 0.089 0.000 1.101 455 N HN 0.254 nan 8.380 nan 0.000 0.488 456 P HA -0.113 nan 4.420 nan 0.000 0.217 456 P C 1.362 178.778 177.300 0.193 0.000 1.148 456 P CA 1.064 64.210 63.100 0.077 0.000 0.828 456 P CB 0.320 31.996 31.700 -0.040 0.000 0.783 457 L N -0.923 120.399 121.223 0.165 0.000 2.362 457 L HA -0.114 4.226 4.340 -0.000 0.000 0.219 457 L C 1.248 178.195 176.870 0.128 0.000 1.134 457 L CA 1.134 56.078 54.840 0.173 0.000 0.807 457 L CB -0.653 41.480 42.059 0.124 0.000 0.927 457 L HN -0.018 nan 8.230 nan 0.000 0.447 458 D N -0.400 120.070 120.400 0.117 0.000 2.339 458 D HA 0.029 4.669 4.640 -0.000 0.000 0.217 458 D C 2.228 178.595 176.300 0.111 0.000 1.050 458 D CA 0.260 54.314 54.000 0.091 0.000 0.856 458 D CB 0.347 41.200 40.800 0.089 0.000 0.922 458 D HN 0.291 nan 8.370 nan 0.000 0.518 459 L N 0.987 122.307 121.223 0.161 0.000 2.042 459 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 459 L C -0.449 176.529 176.870 0.180 0.000 1.076 459 L CA 1.511 56.464 54.840 0.189 0.000 0.749 459 L CB -1.447 40.776 42.059 0.275 0.000 0.893 459 L HN 0.040 nan 8.230 nan 0.000 0.432 460 P HA -0.205 nan 4.420 nan 0.000 0.215 460 P C 1.443 178.827 177.300 0.141 0.000 1.157 460 P CA 1.942 65.088 63.100 0.076 0.000 0.868 460 P CB -0.010 31.555 31.700 -0.225 0.000 0.788 461 A N -1.033 121.805 122.820 0.030 0.000 1.930 461 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 461 A C 2.224 179.830 177.584 0.037 0.000 1.175 461 A CA 1.265 53.314 52.037 0.019 0.000 0.627 461 A CB -1.607 17.378 19.000 -0.024 0.000 0.815 461 A HN 0.091 nan 8.150 nan 0.000 0.443 462 I N -0.287 120.315 120.570 0.054 0.000 2.163 462 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 462 I C 2.301 178.445 176.117 0.045 0.000 1.085 462 I CA 1.508 62.829 61.300 0.034 0.000 1.347 462 I CB -0.296 37.784 38.000 0.134 0.000 1.044 462 I HN 0.311 nan 8.210 nan 0.000 0.408 463 I N 0.274 120.926 120.570 0.137 0.000 2.252 463 I HA -0.284 3.885 4.170 -0.000 0.000 0.245 463 I C 2.623 178.752 176.117 0.020 0.000 1.102 463 I CA 1.399 62.785 61.300 0.142 0.000 1.385 463 I CB -0.395 37.755 38.000 0.252 0.000 1.064 463 I HN 0.281 nan 8.210 nan 0.000 0.414 464 E N 1.032 121.288 120.200 0.093 0.000 2.077 464 E HA -0.305 4.045 4.350 -0.000 0.000 0.193 464 E C 2.305 178.894 176.600 -0.019 0.000 0.989 464 E CA 1.200 57.624 56.400 0.040 0.000 0.800 464 E CB 0.062 29.881 29.700 0.198 0.000 0.746 464 E HN 0.136 nan 8.360 nan 0.000 0.452 465 R N 0.667 121.147 120.500 -0.034 0.000 2.073 465 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 465 R C 2.296 178.517 176.300 -0.133 0.000 1.134 465 R CA 1.490 57.541 56.100 -0.081 0.000 0.952 465 R CB -0.665 29.567 30.300 -0.112 0.000 0.850 465 R HN 0.279 nan 8.270 nan 0.000 0.433 466 L N -1.161 119.935 121.223 -0.212 0.000 2.072 466 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 466 L C 1.669 178.273 176.870 -0.443 0.000 1.079 466 L CA 1.125 55.729 54.840 -0.393 0.000 0.752 466 L CB -0.300 41.382 42.059 -0.629 0.000 0.906 466 L HN 0.347 nan 8.230 nan 0.000 0.436 467 H N -1.164 117.864 119.070 -0.070 0.000 2.986 467 H HA 0.335 4.891 4.556 -0.000 0.000 0.267 467 H C 0.898 176.151 175.328 -0.124 0.000 1.072 467 H CA 0.630 56.621 56.048 -0.095 0.000 1.202 467 H CB 0.736 30.416 29.762 -0.136 0.000 1.535 467 H HN 0.264 nan 8.280 nan 0.000 0.522 468 G N 1.057 109.832 108.800 -0.041 0.000 2.758 468 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.686 468 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.686 468 G C 0.799 175.618 174.900 -0.135 0.000 1.389 468 G CA -0.117 44.953 45.100 -0.051 0.000 0.845 468 G HN 0.261 nan 8.290 nan 0.000 0.572 469 L N 0.785 121.990 121.223 -0.030 0.000 2.127 469 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 469 L C 3.067 179.906 176.870 -0.051 0.000 1.089 469 L CA 2.331 57.201 54.840 0.050 0.000 0.757 469 L CB -0.326 41.828 42.059 0.158 0.000 0.899 469 L HN 0.913 nan 8.230 nan 0.000 0.434 470 E N 0.580 120.738 120.200 -0.070 0.000 2.209 470 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 470 E C 1.956 178.452 176.600 -0.173 0.000 0.993 470 E CA 1.370 57.721 56.400 -0.081 0.000 0.819 470 E CB -0.330 29.333 29.700 -0.063 0.000 0.745 470 E HN 0.477 nan 8.360 nan 0.000 0.477 471 A N 0.832 123.456 122.820 -0.326 0.000 2.076 471 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 471 A C 1.404 178.767 177.584 -0.368 0.000 1.160 471 A CA 0.952 52.730 52.037 -0.431 0.000 0.653 471 A CB -0.682 17.998 19.000 -0.534 0.000 0.801 471 A HN 0.242 nan 8.150 nan 0.000 0.455 472 F N -0.252 119.712 119.950 0.023 0.000 2.693 472 F HA 0.169 4.695 4.527 -0.000 0.000 0.303 472 F C 1.733 177.562 175.800 0.047 0.000 1.097 472 F CA 0.358 58.386 58.000 0.047 0.000 1.330 472 F CB -0.006 39.036 39.000 0.071 0.000 1.067 472 F HN 0.261 nan 8.300 nan 0.000 0.565 473 S N -1.557 114.218 115.700 0.125 0.000 2.911 473 S HA 0.283 4.752 4.470 -0.000 0.000 0.261 473 S C -0.000 174.642 174.600 0.070 0.000 1.021 473 S CA -0.373 57.897 58.200 0.116 0.000 1.222 473 S CB -0.625 62.637 63.200 0.103 0.000 1.171 473 S HN 0.054 nan 8.310 nan 0.000 0.669 474 L N 3.472 124.647 121.223 -0.080 0.000 2.525 474 L HA 0.368 4.708 4.340 -0.000 0.000 0.278 474 L C 0.586 177.281 176.870 -0.291 0.000 1.218 474 L CA 0.312 54.967 54.840 -0.308 0.000 0.878 474 L CB -0.138 41.594 42.059 -0.545 0.000 1.127 474 L HN 0.675 nan 8.230 nan 0.000 0.492 475 H N -0.385 118.408 119.070 -0.462 0.000 2.960 475 H HA 0.614 5.170 4.556 -0.000 0.000 0.323 475 H C -0.298 174.808 175.328 -0.369 0.000 1.326 475 H CA -0.530 55.319 56.048 -0.331 0.000 1.124 475 H CB 1.024 30.725 29.762 -0.101 0.000 1.853 475 H HN 0.577 nan 8.280 nan 0.000 0.536 476 T N -1.603 112.900 114.554 -0.085 0.000 0.000 476 T HA 0.126 4.476 4.350 -0.000 0.000 0.000 476 T C -0.610 174.011 174.700 -0.132 0.000 0.000 476 T CA 1.580 63.639 62.100 -0.067 0.000 0.000 476 T CB -1.548 67.263 68.868 -0.094 0.000 0.000 476 T HN 1.651 nan 8.240 nan 0.000 0.000 477 Y N -0.994 nan 120.300 nan 0.000 0.000 477 Y HA 0.538 5.088 4.550 -0.000 0.000 0.000 477 Y C 0.176 176.106 175.900 0.050 0.000 0.000 477 Y CA -0.704 57.422 58.100 0.043 0.000 0.000 477 Y CB -0.009 38.482 38.460 0.052 0.000 0.000 477 Y HN 1.153 nan 8.280 nan 0.000 0.000 478 S N 1.599 117.449 115.700 0.250 0.000 2.603 478 S HA 0.429 4.899 4.470 -0.000 0.000 0.268 478 S C -2.140 172.544 174.600 0.141 0.000 1.317 478 S CA -0.565 57.725 58.200 0.150 0.000 1.012 478 S CB 1.512 64.790 63.200 0.131 0.000 0.926 478 S HN 0.467 nan 8.310 nan 0.000 0.539 479 P HA -0.169 nan 4.420 nan 0.000 0.217 479 P C 1.373 178.745 177.300 0.121 0.000 1.151 479 P CA 1.408 64.569 63.100 0.101 0.000 0.828 479 P CB -0.328 31.422 31.700 0.083 0.000 0.788 480 H N 0.281 119.369 119.070 0.030 0.000 2.319 480 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 480 H C 2.091 177.430 175.328 0.018 0.000 1.092 480 H CA 1.889 57.946 56.048 0.015 0.000 1.302 480 H CB 0.125 29.888 29.762 0.001 0.000 1.373 480 H HN 0.000 nan 8.280 nan 0.000 0.497 481 E N 0.798 121.000 120.200 0.003 0.000 2.031 481 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 481 E C 2.642 179.208 176.600 -0.056 0.000 0.994 481 E CA 1.236 57.609 56.400 -0.047 0.000 0.800 481 E CB -0.412 29.359 29.700 0.119 0.000 0.752 481 E HN 0.519 nan 8.360 nan 0.000 0.447 482 L N 0.055 121.281 121.223 0.006 0.000 2.093 482 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 482 L C 2.519 179.375 176.870 -0.023 0.000 1.085 482 L CA 1.157 55.995 54.840 -0.005 0.000 0.755 482 L CB -0.395 41.690 42.059 0.043 0.000 0.904 482 L HN 0.095 nan 8.230 nan 0.000 0.435 483 S N -0.384 115.304 115.700 -0.021 0.000 2.370 483 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 483 S C 2.074 176.632 174.600 -0.071 0.000 1.033 483 S CA 1.418 59.603 58.200 -0.025 0.000 1.011 483 S CB -0.260 62.942 63.200 0.002 0.000 0.852 483 S HN 0.345 nan 8.310 nan 0.000 0.457 484 R N 0.752 121.164 120.500 -0.145 0.000 2.075 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 484 R C 2.109 178.311 176.300 -0.164 0.000 1.126 484 R CA 1.236 57.224 56.100 -0.186 0.000 0.963 484 R CB -0.407 29.709 30.300 -0.306 0.000 0.858 484 R HN 0.239 nan 8.270 nan 0.000 0.435 485 V N 1.080 120.905 119.914 -0.149 0.000 2.295 485 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 485 V C 2.473 178.522 176.094 -0.075 0.000 1.049 485 V CA 2.008 64.231 62.300 -0.128 0.000 1.024 485 V CB -0.847 30.928 31.823 -0.079 0.000 0.648 485 V HN 0.562 nan 8.190 nan 0.000 0.447 486 A N 0.047 122.841 122.820 -0.043 0.000 1.883 486 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 486 A C 2.427 180.005 177.584 -0.010 0.000 1.186 486 A CA 2.372 54.403 52.037 -0.011 0.000 0.624 486 A CB -0.894 18.108 19.000 0.004 0.000 0.822 486 A HN 0.610 nan 8.150 nan 0.000 0.444 487 A N -1.323 121.482 122.820 -0.026 0.000 1.933 487 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 487 A C 2.299 179.872 177.584 -0.018 0.000 1.175 487 A CA 2.295 54.322 52.037 -0.016 0.000 0.628 487 A CB -1.172 17.812 19.000 -0.026 0.000 0.814 487 A HN 0.442 nan 8.150 nan 0.000 0.444 488 T N 0.494 115.015 114.554 -0.054 0.000 2.737 488 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 488 T C 1.805 176.491 174.700 -0.022 0.000 1.038 488 T CA 1.406 63.470 62.100 -0.060 0.000 1.144 488 T CB -0.383 68.401 68.868 -0.140 0.000 0.866 488 T HN 0.390 nan 8.240 nan 0.000 0.434 489 L N 0.690 121.904 121.223 -0.015 0.000 2.079 489 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 489 L C 2.845 179.725 176.870 0.016 0.000 1.081 489 L CA 1.418 56.269 54.840 0.018 0.000 0.752 489 L CB -0.574 41.517 42.059 0.053 0.000 0.896 489 L HN 0.190 nan 8.230 nan 0.000 0.433 490 R N 1.021 121.541 120.500 0.032 0.000 2.066 490 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 490 R C 2.376 178.755 176.300 0.133 0.000 1.131 490 R CA 1.692 57.831 56.100 0.065 0.000 0.955 490 R CB -0.110 30.229 30.300 0.066 0.000 0.851 490 R HN 0.200 nan 8.270 nan 0.000 0.432 491 K N 0.505 120.975 120.400 0.116 0.000 2.063 491 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 491 K C 1.956 178.715 176.600 0.264 0.000 1.048 491 K CA 1.482 57.869 56.287 0.167 0.000 0.928 491 K CB -0.046 32.508 32.500 0.089 0.000 0.713 491 K HN 0.259 nan 8.250 nan 0.000 0.442 492 L N -0.449 120.857 121.223 0.137 0.000 2.492 492 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 492 L C 0.976 177.757 176.870 -0.149 0.000 1.132 492 L CA 0.432 55.336 54.840 0.107 0.000 0.850 492 L CB -0.011 42.074 42.059 0.044 0.000 0.966 492 L HN 0.558 nan 8.230 nan 0.000 0.454 493 G N 0.976 109.523 108.800 -0.422 0.000 2.225 493 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.264 493 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.264 493 G C 0.252 174.898 174.900 -0.424 0.000 1.060 493 G CA 0.155 44.672 45.100 -0.971 0.000 0.833 493 G HN 0.492 nan 8.290 nan 0.000 0.498 494 A N -0.001 122.725 122.820 -0.156 0.000 2.302 494 A HA 0.838 5.158 4.320 -0.000 0.000 0.285 494 A C -1.326 176.285 177.584 0.045 0.000 1.105 494 A CA -1.248 50.802 52.037 0.022 0.000 0.816 494 A CB 0.590 19.681 19.000 0.152 0.000 1.067 494 A HN 0.219 nan 8.150 nan 0.000 0.489 495 P HA 0.167 nan 4.420 nan 0.000 0.267 495 P C -2.399 174.965 177.300 0.108 0.000 1.200 495 P CA -0.585 62.472 63.100 -0.073 0.000 0.772 495 P CB -0.103 31.328 31.700 -0.449 0.000 0.855 496 P HA 0.094 nan 4.420 nan 0.000 0.274 496 P C 0.926 178.374 177.300 0.246 0.000 1.246 496 P CA -0.147 63.034 63.100 0.135 0.000 0.795 496 P CB 0.791 32.530 31.700 0.065 0.000 1.006 497 L N 0.633 122.009 121.223 0.255 0.000 2.129 497 L HA -0.226 4.113 4.340 -0.000 0.000 0.212 497 L C 2.854 179.886 176.870 0.271 0.000 1.087 497 L CA 1.879 56.897 54.840 0.297 0.000 0.757 497 L CB -0.769 41.380 42.059 0.150 0.000 0.896 497 L HN 0.496 nan 8.230 nan 0.000 0.434 498 R N 0.502 121.104 120.500 0.170 0.000 2.120 498 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 498 R C 2.223 178.586 176.300 0.105 0.000 1.123 498 R CA 1.261 57.443 56.100 0.137 0.000 0.975 498 R CB -0.642 29.709 30.300 0.086 0.000 0.866 498 R HN 0.237 nan 8.270 nan 0.000 0.446 499 A N 1.242 124.081 122.820 0.031 0.000 1.898 499 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 499 A C 1.805 179.319 177.584 -0.117 0.000 1.181 499 A CA 0.969 52.941 52.037 -0.108 0.000 0.620 499 A CB -0.983 17.861 19.000 -0.260 0.000 0.819 499 A HN 0.560 nan 8.150 nan 0.000 0.442 500 W N 0.217 121.585 121.300 0.113 0.000 2.350 500 W HA -0.129 4.531 4.660 -0.000 0.000 0.289 500 W C 2.341 179.034 176.519 0.289 0.000 1.215 500 W CA 1.581 59.034 57.345 0.180 0.000 1.236 500 W CB 0.060 29.623 29.460 0.172 0.000 1.130 500 W HN 0.332 nan 8.180 nan 0.000 0.541 501 K N 0.219 120.910 120.400 0.486 0.000 2.057 501 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 501 K C 2.088 178.796 176.600 0.180 0.000 1.050 501 K CA 1.845 58.401 56.287 0.448 0.000 0.935 501 K CB -0.337 32.407 32.500 0.407 0.000 0.715 501 K HN -0.068 nan 8.250 nan 0.000 0.439 502 S N 0.891 116.655 115.700 0.106 0.000 2.359 502 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 502 S C 1.855 176.449 174.600 -0.010 0.000 1.035 502 S CA 1.386 59.597 58.200 0.017 0.000 1.018 502 S CB -0.274 62.916 63.200 -0.017 0.000 0.876 502 S HN 0.367 nan 8.310 nan 0.000 0.448 503 R N 1.193 121.697 120.500 0.008 0.000 2.081 503 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 503 R C 2.575 178.867 176.300 -0.013 0.000 1.131 503 R CA 1.264 57.362 56.100 -0.004 0.000 0.960 503 R CB -0.498 29.813 30.300 0.017 0.000 0.856 503 R HN 0.419 nan 8.270 nan 0.000 0.436 504 A N 1.092 123.941 122.820 0.049 0.000 1.969 504 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 504 A C 2.035 179.419 177.584 -0.334 0.000 1.169 504 A CA 0.951 52.911 52.037 -0.130 0.000 0.635 504 A CB -0.324 18.715 19.000 0.064 0.000 0.810 504 A HN 0.192 nan 8.150 nan 0.000 0.445 505 R N -0.542 119.824 120.500 -0.223 0.000 2.096 505 R HA -0.191 4.148 4.340 -0.000 0.000 0.240 505 R C 2.468 178.648 176.300 -0.200 0.000 1.139 505 R CA 1.486 57.461 56.100 -0.210 0.000 0.952 505 R CB -0.457 29.765 30.300 -0.130 0.000 0.854 505 R HN 0.530 nan 8.270 nan 0.000 0.436 506 A N 0.320 123.042 122.820 -0.164 0.000 1.898 506 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 506 A C 2.336 179.809 177.584 -0.185 0.000 1.181 506 A CA 1.243 53.194 52.037 -0.144 0.000 0.620 506 A CB -0.401 18.537 19.000 -0.103 0.000 0.819 506 A HN 0.134 nan 8.150 nan 0.000 0.442 507 V N 0.185 119.942 119.914 -0.262 0.000 2.343 507 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 507 V C 2.638 178.481 176.094 -0.417 0.000 1.051 507 V CA 2.272 64.375 62.300 -0.329 0.000 1.036 507 V CB -0.841 30.722 31.823 -0.434 0.000 0.654 507 V HN 0.689 nan 8.190 nan 0.000 0.451 508 R N 0.415 120.581 120.500 -0.556 0.000 2.083 508 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 508 R C 2.328 178.513 176.300 -0.193 0.000 1.137 508 R CA 1.888 57.761 56.100 -0.378 0.000 0.951 508 R CB -0.541 29.571 30.300 -0.314 0.000 0.851 508 R HN 0.465 nan 8.270 nan 0.000 0.434 509 A N 0.229 122.947 122.820 -0.171 0.000 1.883 509 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 509 A C 2.252 179.786 177.584 -0.083 0.000 1.186 509 A CA 2.117 54.088 52.037 -0.109 0.000 0.624 509 A CB -0.710 18.230 19.000 -0.099 0.000 0.822 509 A HN 0.478 nan 8.150 nan 0.000 0.444 510 S N -0.325 115.321 115.700 -0.090 0.000 2.382 510 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 510 S C 1.828 176.410 174.600 -0.029 0.000 1.027 510 S CA 1.386 59.553 58.200 -0.053 0.000 0.991 510 S CB -0.429 62.741 63.200 -0.050 0.000 0.823 510 S HN 0.495 nan 8.310 nan 0.000 0.469 511 L N 0.909 122.108 121.223 -0.041 0.000 2.027 511 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 511 L C 2.196 179.068 176.870 0.003 0.000 1.074 511 L CA 1.153 55.994 54.840 0.002 0.000 0.745 511 L CB -0.500 41.554 42.059 -0.008 0.000 0.898 511 L HN 0.297 nan 8.230 nan 0.000 0.433 512 I N -0.150 120.408 120.570 -0.020 0.000 2.286 512 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 512 I C 2.658 178.770 176.117 -0.007 0.000 1.115 512 I CA 1.172 62.464 61.300 -0.013 0.000 1.392 512 I CB -0.395 37.588 38.000 -0.028 0.000 1.065 512 I HN 0.213 nan 8.210 nan 0.000 0.418 513 A N -0.277 122.536 122.820 -0.013 0.000 2.066 513 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 513 A C 2.201 179.786 177.584 0.003 0.000 1.157 513 A CA 0.937 52.969 52.037 -0.008 0.000 0.670 513 A CB -0.295 18.696 19.000 -0.015 0.000 0.804 513 A HN 0.394 nan 8.150 nan 0.000 0.453 514 Q N -0.741 119.066 119.800 0.011 0.000 2.297 514 Q HA 0.153 4.493 4.340 -0.000 0.000 0.204 514 Q C 1.198 177.212 176.000 0.023 0.000 0.962 514 Q CA 0.794 56.610 55.803 0.022 0.000 0.879 514 Q CB -0.381 28.380 28.738 0.038 0.000 0.947 514 Q HN 0.833 nan 8.270 nan 0.000 0.462 515 G N -0.169 108.643 108.800 0.020 0.000 2.828 515 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.463 515 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.463 515 G C 0.262 175.177 174.900 0.025 0.000 1.394 515 G CA 0.214 45.325 45.100 0.019 0.000 0.862 515 G HN 0.773 nan 8.290 nan 0.000 0.540 516 A N -1.040 121.792 122.820 0.021 0.000 5.395 516 A HA -0.323 3.997 4.320 -0.000 0.000 0.324 516 A C 2.097 179.694 177.584 0.022 0.000 1.813 516 A CA 3.271 55.321 52.037 0.021 0.000 0.714 516 A CB -1.436 17.578 19.000 0.023 0.000 1.374 516 A HN 1.924 nan 8.150 nan 0.000 0.390 517 R N -0.489 120.029 120.500 0.029 0.000 2.115 517 R HA 0.078 4.418 4.340 -0.000 0.000 0.230 517 R C 2.603 178.934 176.300 0.052 0.000 1.111 517 R CA 1.541 57.660 56.100 0.030 0.000 0.976 517 R CB -0.471 29.854 30.300 0.042 0.000 0.870 517 R HN 0.857 nan 8.270 nan 0.000 0.445 518 A N 1.346 124.208 122.820 0.070 0.000 1.902 518 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 518 A C 2.358 179.978 177.584 0.060 0.000 1.181 518 A CA 1.729 53.823 52.037 0.095 0.000 0.623 518 A CB -0.546 18.512 19.000 0.095 0.000 0.818 518 A HN 0.385 nan 8.150 nan 0.000 0.443 519 A N -0.188 122.655 122.820 0.039 0.000 1.930 519 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 519 A C 2.080 179.687 177.584 0.038 0.000 1.175 519 A CA 1.421 53.475 52.037 0.029 0.000 0.627 519 A CB -0.587 18.427 19.000 0.023 0.000 0.815 519 A HN 0.502 nan 8.150 nan 0.000 0.443 520 I N -0.561 120.024 120.570 0.026 0.000 2.226 520 I HA -0.338 3.831 4.170 -0.000 0.000 0.245 520 I C 2.446 178.561 176.117 -0.004 0.000 1.100 520 I CA 1.120 62.425 61.300 0.008 0.000 1.374 520 I CB -0.450 37.481 38.000 -0.115 0.000 1.057 520 I HN 0.383 nan 8.210 nan 0.000 0.413 521 C N 0.772 120.062 119.300 -0.017 0.000 2.429 521 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 521 C C 2.985 177.955 174.990 -0.034 0.000 1.262 521 C CA 1.031 60.010 59.018 -0.066 0.000 1.733 521 C CB -1.799 25.916 27.740 -0.042 0.000 2.010 521 C HN 0.677 nan 8.230 nan 0.000 0.483 522 G N 0.130 108.946 108.800 0.027 0.000 2.433 522 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 522 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 522 G C 1.809 176.742 174.900 0.054 0.000 1.186 522 G CA 0.461 45.602 45.100 0.069 0.000 0.779 522 G HN 0.569 nan 8.290 nan 0.000 0.543 523 R N -1.141 119.378 120.500 0.032 0.000 2.075 523 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 523 R C 2.353 178.576 176.300 -0.129 0.000 1.126 523 R CA 1.297 57.380 56.100 -0.027 0.000 0.963 523 R CB -0.331 29.976 30.300 0.011 0.000 0.858 523 R HN 0.466 nan 8.270 nan 0.000 0.435 524 Y N 0.353 120.477 120.300 -0.294 0.000 2.230 524 Y HA 0.027 4.577 4.550 -0.000 0.000 0.294 524 Y C 2.174 177.746 175.900 -0.547 0.000 1.120 524 Y CA 0.717 58.468 58.100 -0.583 0.000 1.129 524 Y CB -0.292 37.587 38.460 -0.968 0.000 1.040 524 Y HN -0.105 nan 8.280 nan 0.000 0.519 525 L N -1.808 119.245 121.223 -0.284 0.000 2.141 525 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 525 L C 0.782 177.404 176.870 -0.413 0.000 1.094 525 L CA 1.340 55.980 54.840 -0.333 0.000 0.763 525 L CB -0.380 41.320 42.059 -0.598 0.000 0.908 525 L HN 0.154 nan 8.230 nan 0.000 0.437 526 F N -1.331 118.543 119.950 -0.127 0.000 2.708 526 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 526 F C 1.740 177.230 175.800 -0.516 0.000 1.118 526 F CA -0.286 57.455 58.000 -0.431 0.000 1.307 526 F CB -0.691 38.062 39.000 -0.412 0.000 0.986 526 F HN 0.026 nan 8.300 nan 0.000 0.522 527 N N 1.091 119.705 118.700 -0.144 0.000 2.205 527 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 527 N C 2.010 177.484 175.510 -0.059 0.000 1.015 527 N CA 1.596 54.582 53.050 -0.106 0.000 0.862 527 N CB -0.124 38.321 38.487 -0.071 0.000 0.986 527 N HN 0.592 nan 8.380 nan 0.000 0.429 528 W N 0.396 121.728 121.300 0.054 0.000 2.364 528 W HA -0.014 4.646 4.660 -0.000 0.000 0.281 528 W C 1.449 178.017 176.519 0.082 0.000 1.219 528 W CA 0.705 58.090 57.345 0.066 0.000 1.220 528 W CB -0.685 28.824 29.460 0.080 0.000 1.127 528 W HN -0.011 nan 8.180 nan 0.000 0.556 529 A N 1.314 123.748 122.820 -0.643 0.000 2.169 529 A HA 0.228 4.548 4.320 -0.000 0.000 0.212 529 A C 1.036 178.478 177.584 -0.236 0.000 1.153 529 A CA 1.057 52.706 52.037 -0.646 0.000 0.756 529 A CB -0.767 17.600 19.000 -1.055 0.000 0.813 529 A HN 0.136 nan 8.150 nan 0.000 0.471 530 V N -3.357 116.461 119.914 -0.161 0.000 2.881 530 V HA 0.481 4.601 4.120 -0.000 0.000 0.316 530 V C 0.886 176.954 176.094 -0.044 0.000 1.070 530 V CA -0.724 61.518 62.300 -0.097 0.000 0.976 530 V CB 1.651 33.410 31.823 -0.105 0.000 1.038 530 V HN 0.281 nan 8.190 nan 0.000 0.446 531 K N 0.694 121.073 120.400 -0.035 0.000 2.067 531 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 531 K C 0.809 177.393 176.600 -0.027 0.000 1.048 531 K CA 1.048 57.323 56.287 -0.020 0.000 0.954 531 K CB -0.912 31.578 32.500 -0.016 0.000 0.737 531 K HN 0.667 nan 8.250 nan 0.000 0.444 532 T N 3.495 118.029 114.554 -0.035 0.000 2.992 532 T HA 0.227 4.577 4.350 -0.000 0.000 0.299 532 T C -0.298 174.375 174.700 -0.045 0.000 1.027 532 T CA -0.224 61.854 62.100 -0.036 0.000 1.001 532 T CB 0.438 69.285 68.868 -0.035 0.000 1.005 532 T HN 0.068 nan 8.240 nan 0.000 0.599 533 K N 2.786 123.160 120.400 -0.043 0.000 2.270 533 K HA 0.384 4.704 4.320 -0.000 0.000 0.276 533 K C 0.142 176.705 176.600 -0.062 0.000 1.023 533 K CA -0.485 55.771 56.287 -0.052 0.000 0.955 533 K CB 0.805 33.282 32.500 -0.039 0.000 0.975 533 K HN 0.461 nan 8.250 nan 0.000 0.471 534 L N 2.400 123.572 121.223 -0.086 0.000 2.436 534 L HA 0.220 4.560 4.340 -0.000 0.000 0.265 534 L C 0.374 177.179 176.870 -0.108 0.000 1.168 534 L CA -0.430 54.350 54.840 -0.100 0.000 0.815 534 L CB 0.442 42.422 42.059 -0.133 0.000 1.109 534 L HN 0.455 nan 8.230 nan 0.000 0.462 535 K N 2.208 122.553 120.400 -0.091 0.000 2.284 535 K HA 0.286 4.606 4.320 -0.000 0.000 0.287 535 K C -1.026 175.502 176.600 -0.120 0.000 1.081 535 K CA -0.573 55.668 56.287 -0.077 0.000 0.910 535 K CB 0.388 32.862 32.500 -0.043 0.000 1.088 535 K HN 0.236 nan 8.250 nan 0.000 0.478 536 L N 4.425 125.555 121.223 -0.154 0.000 2.290 536 L HA 0.271 4.611 4.340 -0.000 0.000 0.284 536 L C 0.367 177.212 176.870 -0.042 0.000 1.078 536 L CA 0.094 54.774 54.840 -0.267 0.000 0.815 536 L CB 0.921 42.752 42.059 -0.380 0.000 1.162 536 L HN 0.748 nan 8.230 nan 0.000 0.435 537 T N 1.927 116.511 114.554 0.051 0.000 2.943 537 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 537 T C -2.571 172.268 174.700 0.231 0.000 1.015 537 T CA -2.192 59.984 62.100 0.126 0.000 1.042 537 T CB 1.263 70.189 68.868 0.098 0.000 1.055 537 T HN 0.274 nan 8.240 nan 0.000 0.500 538 P HA 0.218 nan 4.420 nan 0.000 0.265 538 P C -0.648 176.725 177.300 0.121 0.000 1.193 538 P CA -0.291 62.903 63.100 0.157 0.000 0.765 538 P CB 0.228 31.985 31.700 0.095 0.000 0.823 539 L N 6.664 127.937 121.223 0.083 0.000 2.315 539 L HA 0.179 4.519 4.340 -0.000 0.000 0.283 539 L C -0.990 175.879 176.870 -0.003 0.000 1.089 539 L CA -1.524 53.309 54.840 -0.012 0.000 0.833 539 L CB 0.808 42.789 42.059 -0.130 0.000 1.170 539 L HN 0.345 nan 8.230 nan 0.000 0.442 540 P HA -0.198 nan 4.420 nan 0.000 0.216 540 P C 0.984 178.276 177.300 -0.015 0.000 1.150 540 P CA 1.319 64.417 63.100 -0.003 0.000 0.843 540 P CB 0.305 32.004 31.700 -0.002 0.000 0.787 541 E N -0.279 119.906 120.200 -0.026 0.000 2.110 541 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 541 E C 2.169 178.748 176.600 -0.036 0.000 0.988 541 E CA 1.131 57.512 56.400 -0.031 0.000 0.804 541 E CB -0.477 29.202 29.700 -0.035 0.000 0.745 541 E HN 0.188 nan 8.360 nan 0.000 0.458 542 A N 1.081 123.883 122.820 -0.030 0.000 1.902 542 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 542 A C 2.306 179.870 177.584 -0.034 0.000 1.181 542 A CA 1.614 53.635 52.037 -0.028 0.000 0.623 542 A CB -0.424 18.578 19.000 0.003 0.000 0.818 542 A HN 0.129 nan 8.150 nan 0.000 0.443 543 S N -0.631 115.057 115.700 -0.019 0.000 2.469 543 S HA -0.082 4.388 4.470 -0.000 0.000 0.238 543 S C 1.666 176.247 174.600 -0.031 0.000 0.998 543 S CA 1.283 59.471 58.200 -0.019 0.000 0.957 543 S CB -0.178 63.018 63.200 -0.006 0.000 0.764 543 S HN 0.617 nan 8.310 nan 0.000 0.514 544 R N -0.040 120.437 120.500 -0.038 0.000 2.397 544 R HA 0.332 4.672 4.340 -0.000 0.000 0.241 544 R C -0.305 175.956 176.300 -0.066 0.000 0.914 544 R CA -0.085 55.989 56.100 -0.044 0.000 1.071 544 R CB 0.225 30.505 30.300 -0.034 0.000 1.116 544 R HN 0.272 nan 8.270 nan 0.000 0.524 545 L N 1.883 123.054 121.223 -0.085 0.000 2.331 545 L HA 0.128 4.468 4.340 -0.000 0.000 0.278 545 L C -0.252 176.522 176.870 -0.160 0.000 1.106 545 L CA -0.320 54.441 54.840 -0.132 0.000 0.824 545 L CB 0.841 42.802 42.059 -0.162 0.000 1.142 545 L HN 0.040 nan 8.230 nan 0.000 0.443 546 D N 4.364 124.652 120.400 -0.187 0.000 2.454 546 D HA 0.310 4.949 4.640 -0.000 0.000 0.225 546 D C 0.114 176.209 176.300 -0.341 0.000 1.081 546 D CA -0.347 53.533 54.000 -0.200 0.000 0.864 546 D CB 0.783 41.502 40.800 -0.135 0.000 1.040 546 D HN 0.386 nan 8.370 nan 0.000 0.517 547 L N 2.909 123.882 121.223 -0.416 0.000 2.857 547 L HA 0.203 4.543 4.340 -0.000 0.000 0.249 547 L C 1.885 178.489 176.870 -0.444 0.000 1.172 547 L CA -0.303 54.083 54.840 -0.756 0.000 0.980 547 L CB 0.159 41.659 42.059 -0.932 0.000 1.299 547 L HN 0.373 nan 8.230 nan 0.000 0.535 548 S N 1.036 116.625 115.700 -0.184 0.000 2.374 548 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 548 S C 2.023 176.611 174.600 -0.020 0.000 1.037 548 S CA 1.798 59.998 58.200 -0.001 0.000 1.024 548 S CB -0.183 63.014 63.200 -0.005 0.000 0.861 548 S HN 0.648 nan 8.310 nan 0.000 0.456 549 G N -0.966 107.768 108.800 -0.109 0.000 2.586 549 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 549 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 549 G C 0.729 175.659 174.900 0.050 0.000 1.128 549 G CA 0.261 45.337 45.100 -0.040 0.000 0.774 549 G HN 0.509 nan 8.290 nan 0.000 0.543 550 W N 0.021 120.951 121.300 -0.617 0.000 2.678 550 W HA 0.356 5.016 4.660 -0.000 0.000 0.256 550 W C -0.111 175.715 176.519 -1.155 0.000 1.280 550 W CA -0.587 56.014 57.345 -1.241 0.000 1.345 550 W CB -0.329 28.049 29.460 -1.803 0.000 1.118 550 W HN 0.071 nan 8.180 nan 0.000 0.629 551 F N 0.963 120.931 119.950 0.030 0.000 2.451 551 F HA 0.361 4.888 4.527 -0.000 0.000 0.367 551 F C 0.624 176.520 175.800 0.160 0.000 1.100 551 F CA -1.161 56.819 58.000 -0.032 0.000 1.171 551 F CB -0.119 38.824 39.000 -0.094 0.000 1.405 551 F HN -0.373 nan 8.300 nan 0.000 0.482 552 T N -2.901 111.844 114.554 0.320 0.000 2.858 552 T HA 0.389 4.739 4.350 -0.000 0.000 0.285 552 T C 0.543 175.366 174.700 0.204 0.000 1.052 552 T CA -0.610 61.662 62.100 0.287 0.000 1.009 552 T CB 1.671 70.690 68.868 0.253 0.000 1.241 552 T HN 0.064 nan 8.240 nan 0.000 0.542 553 V N 0.747 120.753 119.914 0.153 0.000 2.970 553 V HA 0.315 4.435 4.120 -0.000 0.000 0.260 553 V C 1.610 177.492 176.094 -0.353 0.000 1.100 553 V CA 2.236 64.483 62.300 -0.089 0.000 1.122 553 V CB -1.345 30.529 31.823 0.086 0.000 0.721 553 V HN 1.611 nan 8.190 nan 0.000 0.483 554 G N -0.239 108.474 108.800 -0.146 0.000 2.601 554 G HA2 0.145 4.105 3.960 -0.000 0.000 0.252 554 G HA3 0.145 4.105 3.960 -0.000 0.000 0.252 554 G C -0.086 174.692 174.900 -0.204 0.000 1.294 554 G CA -0.293 44.715 45.100 -0.153 0.000 0.912 554 G HN 1.847 nan 8.290 nan 0.000 0.574 555 A N -1.518 121.197 122.820 -0.175 0.000 2.594 555 A HA 0.929 5.249 4.320 -0.000 0.000 0.295 555 A C 0.403 177.930 177.584 -0.095 0.000 1.071 555 A CA 0.645 52.583 52.037 -0.164 0.000 0.685 555 A CB 1.081 20.114 19.000 0.055 0.000 1.285 555 A HN 2.542 nan 8.150 nan 0.000 0.405 556 G N -0.321 108.440 108.800 -0.065 0.000 2.305 556 G HA2 0.508 4.468 3.960 -0.000 0.000 0.243 556 G HA3 0.508 4.468 3.960 -0.000 0.000 0.243 556 G C 1.271 176.176 174.900 0.009 0.000 1.288 556 G CA 0.806 45.903 45.100 -0.005 0.000 0.901 556 G HN 2.500 nan 8.290 nan 0.000 0.516 557 G N 0.868 109.669 108.800 0.003 0.000 2.155 557 G HA2 0.144 4.104 3.960 -0.000 0.000 0.257 557 G HA3 0.144 4.104 3.960 -0.000 0.000 0.257 557 G C 1.440 176.311 174.900 -0.049 0.000 0.983 557 G CA 0.948 46.034 45.100 -0.023 0.000 0.676 557 G HN 2.566 nan 8.290 nan 0.000 0.528 558 G N -0.430 108.339 108.800 -0.053 0.000 2.283 558 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.280 558 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.280 558 G C 0.277 175.121 174.900 -0.093 0.000 1.029 558 G CA 1.114 46.164 45.100 -0.083 0.000 0.840 558 G HN 1.253 nan 8.290 nan 0.000 0.505 559 D N -0.287 120.082 120.400 -0.052 0.000 3.085 559 D HA 0.496 5.136 4.640 -0.000 0.000 0.243 559 D C 0.399 176.688 176.300 -0.019 0.000 1.232 559 D CA -0.131 53.845 54.000 -0.039 0.000 0.913 559 D CB -0.355 40.440 40.800 -0.008 0.000 1.108 559 D HN 0.524 nan 8.370 nan 0.000 0.468 560 I N 0.482 120.995 120.570 -0.095 0.000 2.827 560 I HA 0.404 4.573 4.170 -0.000 0.000 0.298 560 I C -2.103 173.811 176.117 -0.339 0.000 1.235 560 I CA -1.123 60.083 61.300 -0.155 0.000 1.021 560 I CB 1.769 39.730 38.000 -0.067 0.000 1.259 560 I HN -0.139 nan 8.210 nan 0.000 0.427 561 Y N 6.135 126.107 120.300 -0.547 0.000 2.386 561 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 561 Y C -1.408 174.169 175.900 -0.538 0.000 1.002 561 Y CA -0.513 57.242 58.100 -0.575 0.000 1.068 561 Y CB 1.064 39.318 38.460 -0.344 0.000 1.203 561 Y HN 0.471 nan 8.280 nan 0.000 0.443 562 H N 4.071 122.623 119.070 -0.863 0.000 2.539 562 H HA 0.664 5.220 4.556 -0.000 0.000 0.332 562 H C -0.558 174.424 175.328 -0.576 0.000 1.031 562 H CA -0.369 55.378 56.048 -0.502 0.000 1.206 562 H CB 1.713 31.395 29.762 -0.133 0.000 1.446 562 H HN 0.708 nan 8.280 nan 0.000 0.496 563 S N 0.000 115.564 115.700 -0.226 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.129 58.200 -0.118 0.000 1.107 563 S CB 0.000 63.114 63.200 -0.143 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517