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 3m6g_1_B DATA FIRST_RESID 4 DATA SEQUENCE ETTALVCDNG SGLVKAGFAG DDAPRAVFPS IVGRPRXXXX XXXXXXXDSY DATA SEQUENCE VGDEAQSKRG ILTLKYPIEH GIITNWDDME KIWHHTFYNE LRVAPEEHPT DATA SEQUENCE LLTEAPLNPK ANREKMTQIM FETFNVPAMY VAIQAVLSLY ASGRTTGIVL DATA SEQUENCE DSGDGVTHNV PIYEGYALPH AIMRLDLAGR DLTDYLMKIL TERGYSFVTT DATA SEQUENCE AEREIVRDIK EKLCYVALDF ENEMATAASS SSLEKSYELP DGQVITIGNE DATA SEQUENCE RFRCPETLFQ PSFIGMESAG IHETTYNSIM KCDIDIRKDL YANNVMSGGT DATA SEQUENCE TMYPGIADRM QKEITALAPS TMKIKIIAPP ERKYSVWIGG SILASLSTFQ DATA SEQUENCE QMWITKQEYD EAGPSIVH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.604 176.600 0.006 0.000 1.382 4 E CA 0.000 56.400 56.400 0.001 0.000 0.976 4 E CB 0.000 29.706 29.700 0.010 0.000 0.812 5 T N 3.014 117.566 114.554 -0.004 0.000 2.834 5 T HA 0.467 4.694 4.350 -0.205 0.000 0.298 5 T C 0.898 175.638 174.700 0.066 0.000 0.966 5 T CA 0.583 62.679 62.100 -0.007 0.000 1.141 5 T CB 0.506 69.329 68.868 -0.074 0.000 0.905 5 T HN 0.910 nan 8.240 nan 0.000 0.535 6 T N 0.830 115.485 114.554 0.168 0.000 2.856 6 T HA 0.648 4.876 4.350 -0.205 0.000 0.292 6 T C 0.199 175.068 174.700 0.280 0.000 0.980 6 T CA -1.082 61.156 62.100 0.230 0.000 1.091 6 T CB 1.050 70.064 68.868 0.245 0.000 0.936 6 T HN 0.645 nan 8.240 nan 0.000 0.503 7 A N 3.860 126.803 122.820 0.205 0.000 2.293 7 A HA 0.716 4.913 4.320 -0.205 0.000 0.302 7 A C 0.079 177.763 177.584 0.166 0.000 1.119 7 A CA -1.014 51.114 52.037 0.151 0.000 0.823 7 A CB 0.356 19.507 19.000 0.253 0.000 1.097 7 A HN 0.935 nan 8.150 nan 0.000 0.491 8 L N 1.451 122.727 121.223 0.088 0.000 2.334 8 L HA 0.593 4.811 4.340 -0.205 0.000 0.275 8 L C -0.823 176.084 176.870 0.062 0.000 1.036 8 L CA -0.880 53.968 54.840 0.013 0.000 0.807 8 L CB 1.651 43.694 42.059 -0.026 0.000 1.231 8 L HN 0.380 nan 8.230 nan 0.000 0.438 9 V N 1.603 121.531 119.914 0.024 0.000 2.444 9 V HA 0.299 4.297 4.120 -0.205 0.000 0.294 9 V C -0.699 175.472 176.094 0.128 0.000 1.022 9 V CA -0.525 61.747 62.300 -0.046 0.000 0.850 9 V CB 1.892 33.413 31.823 -0.503 0.000 0.992 9 V HN 0.891 nan 8.190 nan 0.000 0.426 10 C N 4.456 123.812 119.300 0.093 0.000 2.346 10 C HA 0.649 4.986 4.460 -0.205 0.000 0.326 10 C C -0.703 174.383 174.990 0.159 0.000 1.224 10 C CA -0.487 58.617 59.018 0.143 0.000 1.408 10 C CB 0.444 28.220 27.740 0.060 0.000 2.089 10 C HN 0.970 nan 8.230 nan 0.000 0.456 11 D N 4.539 125.064 120.400 0.210 0.000 2.427 11 D HA 0.273 4.790 4.640 -0.205 0.000 0.226 11 D C -0.321 176.040 176.300 0.101 0.000 1.076 11 D CA -0.006 54.093 54.000 0.165 0.000 0.849 11 D CB 0.545 41.482 40.800 0.227 0.000 1.052 11 D HN 0.625 nan 8.370 nan 0.000 0.515 12 N N 3.318 122.080 118.700 0.104 0.000 2.482 12 N HA 0.310 4.927 4.740 -0.205 0.000 0.242 12 N C 0.284 175.797 175.510 0.005 0.000 1.100 12 N CA -0.302 52.778 53.050 0.050 0.000 0.946 12 N CB 1.482 40.044 38.487 0.125 0.000 1.227 12 N HN 0.416 nan 8.380 nan 0.000 0.508 13 G N 0.184 108.963 108.800 -0.036 0.000 2.477 13 G HA2 0.196 4.033 3.960 -0.205 0.000 0.304 13 G HA3 0.196 4.033 3.960 -0.205 0.000 0.304 13 G C 0.987 175.860 174.900 -0.046 0.000 1.175 13 G CA -0.589 44.495 45.100 -0.026 0.000 0.907 13 G HN 0.391 nan 8.290 nan 0.000 0.509 14 S N 0.302 115.987 115.700 -0.026 0.000 2.382 14 S HA -0.075 4.272 4.470 -0.205 0.000 0.228 14 S C 2.108 176.685 174.600 -0.038 0.000 1.027 14 S CA 1.426 59.605 58.200 -0.035 0.000 0.991 14 S CB -0.239 62.942 63.200 -0.031 0.000 0.823 14 S HN 0.852 nan 8.310 nan 0.000 0.469 15 G N 0.417 109.194 108.800 -0.038 0.000 2.673 15 G HA2 0.517 4.354 3.960 -0.205 0.000 0.208 15 G HA3 0.517 4.354 3.960 -0.205 0.000 0.208 15 G C 0.247 175.120 174.900 -0.046 0.000 1.128 15 G CA -0.241 44.843 45.100 -0.027 0.000 0.805 15 G HN 0.414 nan 8.290 nan 0.000 0.526 16 L N 1.150 122.325 121.223 -0.080 0.000 2.431 16 L HA 0.470 4.688 4.340 -0.205 0.000 0.266 16 L C -0.853 175.884 176.870 -0.221 0.000 0.978 16 L CA -1.010 53.744 54.840 -0.143 0.000 0.822 16 L CB 3.006 45.020 42.059 -0.076 0.000 1.310 16 L HN -0.231 nan 8.230 nan 0.000 0.409 17 V N 2.498 122.129 119.914 -0.471 0.000 2.530 17 V HA 0.287 4.285 4.120 -0.205 0.000 0.282 17 V C -0.138 175.707 176.094 -0.415 0.000 1.048 17 V CA -0.446 61.536 62.300 -0.531 0.000 0.997 17 V CB 1.324 32.536 31.823 -1.018 0.000 0.987 17 V HN 0.571 nan 8.190 nan 0.000 0.477 18 K N 3.573 123.869 120.400 -0.173 0.000 2.358 18 K HA 0.825 5.023 4.320 -0.205 0.000 0.260 18 K C -0.534 176.035 176.600 -0.052 0.000 0.956 18 K CA -0.004 56.188 56.287 -0.159 0.000 0.834 18 K CB 1.983 34.456 32.500 -0.044 0.000 1.102 18 K HN 0.896 nan 8.250 nan 0.000 0.431 19 A N 1.542 124.241 122.820 -0.202 0.000 2.515 19 A HA 0.936 5.133 4.320 -0.205 0.000 0.298 19 A C -0.446 177.046 177.584 -0.152 0.000 1.059 19 A CA -0.116 51.922 52.037 0.001 0.000 0.698 19 A CB 1.732 20.740 19.000 0.013 0.000 1.289 19 A HN 0.719 nan 8.150 nan 0.000 0.404 20 G N -0.429 108.411 108.800 0.067 0.000 2.393 20 G HA2 0.534 4.372 3.960 -0.205 0.000 0.264 20 G HA3 0.534 4.372 3.960 -0.205 0.000 0.264 20 G C -1.788 173.010 174.900 -0.171 0.000 1.221 20 G CA -0.566 44.455 45.100 -0.133 0.000 0.912 20 G HN 0.712 nan 8.290 nan 0.000 0.483 21 F N 1.440 121.630 119.950 0.399 0.000 2.482 21 F HA 0.696 5.100 4.527 -0.205 0.000 0.331 21 F C 0.880 176.813 175.800 0.222 0.000 1.115 21 F CA -0.338 57.795 58.000 0.222 0.000 0.955 21 F CB 2.192 41.260 39.000 0.115 0.000 1.136 21 F HN 0.662 nan 8.300 nan 0.000 0.452 22 A N 2.006 124.969 122.820 0.238 0.000 2.546 22 A HA 0.428 4.625 4.320 -0.205 0.000 0.243 22 A C 1.222 178.895 177.584 0.147 0.000 1.063 22 A CA 0.961 53.054 52.037 0.094 0.000 0.757 22 A CB -0.722 18.338 19.000 0.099 0.000 0.991 22 A HN 1.577 nan 8.150 nan 0.000 0.503 23 G N 2.210 111.067 108.800 0.095 0.000 2.259 23 G HA2 -0.173 3.664 3.960 -0.205 0.000 0.217 23 G HA3 -0.173 3.664 3.960 -0.205 0.000 0.217 23 G C -0.024 174.967 174.900 0.153 0.000 1.001 23 G CA 0.221 45.384 45.100 0.105 0.000 0.627 23 G HN 0.786 nan 8.290 nan 0.000 0.501 24 D N 1.221 121.778 120.400 0.261 0.000 2.362 24 D HA 0.427 4.945 4.640 -0.205 0.000 0.242 24 D C 1.267 177.769 176.300 0.337 0.000 1.132 24 D CA 0.334 54.508 54.000 0.290 0.000 0.907 24 D CB 0.905 41.925 40.800 0.367 0.000 1.195 24 D HN 0.353 nan 8.370 nan 0.000 0.429 25 D N -0.601 119.935 120.400 0.226 0.000 2.340 25 D HA 0.170 4.687 4.640 -0.205 0.000 0.220 25 D C -0.181 176.251 176.300 0.219 0.000 1.039 25 D CA -0.202 53.927 54.000 0.215 0.000 0.866 25 D CB 0.170 41.044 40.800 0.124 0.000 0.913 25 D HN 0.281 nan 8.370 nan 0.000 0.523 26 A N 0.291 123.164 122.820 0.088 0.000 2.594 26 A HA 0.593 4.790 4.320 -0.205 0.000 0.295 26 A C -2.944 174.042 177.584 -0.995 0.000 1.071 26 A CA -1.466 50.392 52.037 -0.299 0.000 0.685 26 A CB 1.372 20.231 19.000 -0.235 0.000 1.285 26 A HN -0.061 nan 8.150 nan 0.000 0.405 27 P HA 0.180 nan 4.420 nan 0.000 0.271 27 P C 0.225 177.035 177.300 -0.817 0.000 1.216 27 P CA -0.014 61.992 63.100 -1.824 0.000 0.771 27 P CB 1.120 31.796 31.700 -1.708 0.000 0.864 28 R N 3.144 123.350 120.500 -0.490 0.000 2.090 28 R HA 0.107 4.325 4.340 -0.205 0.000 0.228 28 R C 0.494 176.691 176.300 -0.172 0.000 1.110 28 R CA 1.246 57.227 56.100 -0.199 0.000 0.973 28 R CB -0.439 29.867 30.300 0.009 0.000 0.869 28 R HN 0.624 nan 8.270 nan 0.000 0.440 29 A N -0.228 122.478 122.820 -0.190 0.000 2.343 29 A HA 0.649 4.846 4.320 -0.205 0.000 0.316 29 A C -1.440 176.123 177.584 -0.034 0.000 1.104 29 A CA -0.669 51.355 52.037 -0.021 0.000 0.768 29 A CB 1.950 21.015 19.000 0.109 0.000 1.213 29 A HN 0.003 nan 8.150 nan 0.000 0.456 30 V N 3.259 123.205 119.914 0.054 0.000 2.524 30 V HA 0.716 4.713 4.120 -0.205 0.000 0.297 30 V C -0.981 175.203 176.094 0.150 0.000 1.035 30 V CA -0.347 61.944 62.300 -0.016 0.000 0.867 30 V CB 0.601 32.401 31.823 -0.039 0.000 1.004 30 V HN 0.998 nan 8.190 nan 0.000 0.426 31 F N 3.695 123.643 119.950 -0.004 0.000 2.668 31 F HA 0.896 5.300 4.527 -0.205 0.000 0.309 31 F C -3.247 172.554 175.800 0.002 0.000 1.117 31 F CA -3.014 54.991 58.000 0.009 0.000 0.951 31 F CB 1.477 40.496 39.000 0.032 0.000 1.323 31 F HN 0.234 nan 8.300 nan 0.000 0.451 32 P HA 0.090 nan 4.420 nan 0.000 0.271 32 P C -0.209 177.105 177.300 0.022 0.000 1.216 32 P CA -0.075 63.055 63.100 0.051 0.000 0.771 32 P CB 1.282 33.032 31.700 0.084 0.000 0.864 33 S N 3.382 119.049 115.700 -0.055 0.000 4.069 33 S HA 0.262 4.610 4.470 -0.205 0.000 0.192 33 S C 0.269 174.838 174.600 -0.053 0.000 1.441 33 S CA -0.541 57.612 58.200 -0.079 0.000 0.994 33 S CB -1.890 61.242 63.200 -0.112 0.000 1.456 33 S HN 0.300 nan 8.310 nan 0.000 0.458 34 I N -0.590 119.944 120.570 -0.060 0.000 2.608 34 I HA 0.755 4.803 4.170 -0.205 0.000 0.295 34 I C -1.075 174.945 176.117 -0.162 0.000 1.049 34 I CA -1.209 59.977 61.300 -0.189 0.000 1.063 34 I CB 2.276 40.136 38.000 -0.234 0.000 1.248 34 I HN -0.136 nan 8.210 nan 0.000 0.424 35 V N 4.073 123.859 119.914 -0.213 0.000 2.444 35 V HA 0.743 4.741 4.120 -0.205 0.000 0.294 35 V C 0.503 176.515 176.094 -0.136 0.000 1.022 35 V CA -0.293 61.925 62.300 -0.137 0.000 0.850 35 V CB 1.475 33.231 31.823 -0.111 0.000 0.992 35 V HN 0.998 nan 8.190 nan 0.000 0.426 36 G N 4.282 113.049 108.800 -0.055 0.000 2.416 36 G HA2 0.768 4.605 3.960 -0.205 0.000 0.329 36 G HA3 0.768 4.605 3.960 -0.205 0.000 0.329 36 G C -0.777 174.162 174.900 0.065 0.000 1.173 36 G CA -0.708 44.382 45.100 -0.017 0.000 0.929 36 G HN 0.613 nan 8.290 nan 0.000 0.475 37 R N 1.527 122.051 120.500 0.040 0.000 2.807 37 R HA 0.414 4.632 4.340 -0.205 0.000 0.276 37 R C -2.742 173.595 176.300 0.063 0.000 0.979 37 R CA -1.840 54.297 56.100 0.062 0.000 0.928 37 R CB 2.444 32.755 30.300 0.018 0.000 1.191 37 R HN 0.287 nan 8.270 nan 0.000 0.471 38 P HA -0.045 nan 4.420 nan 0.000 0.261 38 P C -0.317 177.000 177.300 0.028 0.000 1.183 38 P CA 0.359 63.495 63.100 0.060 0.000 0.761 38 P CB 0.451 32.190 31.700 0.064 0.000 0.785 52 S N -0.789 114.781 115.700 -0.217 0.000 2.537 52 S HA 0.697 5.044 4.470 -0.205 0.000 0.270 52 S C -1.649 172.747 174.600 -0.341 0.000 1.142 52 S CA -0.633 57.471 58.200 -0.160 0.000 0.870 52 S CB 1.738 64.885 63.200 -0.089 0.000 1.112 52 S HN 0.614 nan 8.310 nan 0.000 0.466 53 Y N 0.208 120.473 120.300 -0.059 0.000 2.468 53 Y HA 0.753 5.180 4.550 -0.204 0.000 0.342 53 Y C -0.199 175.618 175.900 -0.138 0.000 1.021 53 Y CA -0.974 57.078 58.100 -0.080 0.000 1.079 53 Y CB 2.181 40.599 38.460 -0.070 0.000 1.226 53 Y HN 0.655 nan 8.280 nan 0.000 0.460 54 V N 1.678 121.533 119.914 -0.097 0.000 2.735 54 V HA 0.753 4.750 4.120 -0.205 0.000 0.310 54 V C 0.482 176.360 176.094 -0.359 0.000 1.061 54 V CA -0.212 61.915 62.300 -0.288 0.000 0.913 54 V CB 1.108 32.632 31.823 -0.499 0.000 1.005 54 V HN 1.094 nan 8.190 nan 0.000 0.428 55 G N 3.569 112.284 108.800 -0.140 0.000 2.591 55 G HA2 -0.292 3.545 3.960 -0.205 0.000 0.298 55 G HA3 -0.292 3.545 3.960 -0.205 0.000 0.298 55 G C 0.618 175.523 174.900 0.008 0.000 1.195 55 G CA 0.730 45.852 45.100 0.037 0.000 0.989 55 G HN 0.648 nan 8.290 nan 0.000 0.551 56 D N 0.481 120.897 120.400 0.026 0.000 2.123 56 D HA -0.075 4.442 4.640 -0.205 0.000 0.196 56 D C 2.150 178.451 176.300 0.002 0.000 0.992 56 D CA 1.672 55.693 54.000 0.034 0.000 0.833 56 D CB -0.284 40.544 40.800 0.047 0.000 0.954 56 D HN 0.645 nan 8.370 nan 0.000 0.455 57 E N 0.356 120.554 120.200 -0.004 0.000 2.072 57 E HA -0.130 4.097 4.350 -0.205 0.000 0.191 57 E C 2.055 178.612 176.600 -0.071 0.000 0.985 57 E CA 0.908 57.305 56.400 -0.005 0.000 0.801 57 E CB 0.034 29.794 29.700 0.100 0.000 0.750 57 E HN 0.167 nan 8.360 nan 0.000 0.452 58 A N 0.750 123.551 122.820 -0.031 0.000 1.908 58 A HA -0.289 3.908 4.320 -0.205 0.000 0.218 58 A C 2.114 179.650 177.584 -0.079 0.000 1.181 58 A CA 1.920 53.923 52.037 -0.056 0.000 0.627 58 A CB -0.683 18.298 19.000 -0.032 0.000 0.818 58 A HN 0.299 nan 8.150 nan 0.000 0.445 59 Q N 0.769 120.542 119.800 -0.045 0.000 2.050 59 Q HA -0.154 4.064 4.340 -0.205 0.000 0.202 59 Q C 2.184 178.162 176.000 -0.036 0.000 0.980 59 Q CA 2.699 58.487 55.803 -0.024 0.000 0.840 59 Q CB -0.438 28.305 28.738 0.009 0.000 0.898 59 Q HN 0.729 nan 8.270 nan 0.000 0.424 60 S N -0.850 114.823 115.700 -0.046 0.000 2.481 60 S HA -0.035 4.313 4.470 -0.205 0.000 0.231 60 S C 1.179 175.728 174.600 -0.086 0.000 0.996 60 S CA 0.816 58.986 58.200 -0.050 0.000 0.942 60 S CB -0.049 63.128 63.200 -0.039 0.000 0.768 60 S HN 0.335 nan 8.310 nan 0.000 0.520 61 K N 0.510 120.826 120.400 -0.140 0.000 2.498 61 K HA 0.332 4.529 4.320 -0.205 0.000 0.207 61 K C 1.518 178.033 176.600 -0.141 0.000 1.033 61 K CA -0.382 55.792 56.287 -0.189 0.000 1.138 61 K CB 0.220 32.491 32.500 -0.381 0.000 0.860 61 K HN 0.224 nan 8.250 nan 0.000 0.490 62 R N 0.333 120.780 120.500 -0.087 0.000 2.162 62 R HA -0.211 4.006 4.340 -0.205 0.000 0.245 62 R C 2.212 178.484 176.300 -0.047 0.000 1.129 62 R CA 2.029 58.097 56.100 -0.054 0.000 0.940 62 R CB -0.730 29.557 30.300 -0.021 0.000 0.875 62 R HN 0.354 nan 8.270 nan 0.000 0.437 63 G N 1.012 109.787 108.800 -0.042 0.000 2.535 63 G HA2 -0.160 3.677 3.960 -0.205 0.000 0.218 63 G HA3 -0.160 3.677 3.960 -0.205 0.000 0.218 63 G C 1.305 176.185 174.900 -0.034 0.000 1.122 63 G CA 0.909 45.991 45.100 -0.030 0.000 0.769 63 G HN 0.564 nan 8.290 nan 0.000 0.549 64 I N -3.232 117.306 120.570 -0.054 0.000 4.154 64 I HA 0.518 4.565 4.170 -0.205 0.000 0.334 64 I C -0.137 175.954 176.117 -0.042 0.000 1.371 64 I CA -0.382 60.889 61.300 -0.047 0.000 1.110 64 I CB 0.346 38.312 38.000 -0.058 0.000 1.085 64 I HN -0.174 nan 8.210 nan 0.000 0.398 65 L N 0.622 121.816 121.223 -0.049 0.000 2.323 65 L HA 0.597 4.814 4.340 -0.205 0.000 0.265 65 L C -0.410 176.447 176.870 -0.023 0.000 1.012 65 L CA -0.738 54.083 54.840 -0.033 0.000 0.820 65 L CB 2.242 44.269 42.059 -0.054 0.000 1.334 65 L HN -0.080 nan 8.230 nan 0.000 0.427 66 T N 2.645 117.189 114.554 -0.015 0.000 2.749 66 T HA 0.512 4.739 4.350 -0.205 0.000 0.287 66 T C -0.152 174.516 174.700 -0.053 0.000 0.970 66 T CA -0.418 61.671 62.100 -0.018 0.000 0.980 66 T CB 0.614 69.480 68.868 -0.005 0.000 0.924 66 T HN 0.229 nan 8.240 nan 0.000 0.456 67 L N 3.804 124.980 121.223 -0.079 0.000 2.326 67 L HA 0.499 4.717 4.340 -0.205 0.000 0.278 67 L C 0.501 177.164 176.870 -0.346 0.000 1.092 67 L CA -0.537 54.163 54.840 -0.233 0.000 0.810 67 L CB 0.826 42.726 42.059 -0.265 0.000 1.153 67 L HN 0.417 nan 8.230 nan 0.000 0.439 68 K N 2.810 122.929 120.400 -0.469 0.000 2.318 68 K HA 0.494 4.691 4.320 -0.205 0.000 0.249 68 K C -1.604 174.624 176.600 -0.621 0.000 0.942 68 K CA -0.645 55.410 56.287 -0.386 0.000 0.808 68 K CB 2.110 34.517 32.500 -0.156 0.000 1.189 68 K HN 0.307 nan 8.250 nan 0.000 0.428 69 Y N 1.918 122.175 120.300 -0.073 0.000 2.686 69 Y HA 0.212 4.639 4.550 -0.204 0.000 0.331 69 Y C -1.729 174.099 175.900 -0.120 0.000 0.996 69 Y CA -2.139 55.905 58.100 -0.093 0.000 1.293 69 Y CB 0.987 39.392 38.460 -0.091 0.000 1.092 69 Y HN 0.493 nan 8.280 nan 0.000 0.524 70 P HA -0.014 nan 4.420 nan 0.000 0.237 70 P C 0.325 177.516 177.300 -0.182 0.000 1.178 70 P CA 1.219 64.228 63.100 -0.152 0.000 0.766 70 P CB 0.701 32.263 31.700 -0.230 0.000 0.876 71 I N -0.968 119.531 120.570 -0.120 0.000 2.953 71 I HA 0.155 4.203 4.170 -0.205 0.000 0.325 71 I C 1.779 177.865 176.117 -0.051 0.000 1.421 71 I CA -0.163 61.074 61.300 -0.105 0.000 0.845 71 I CB 0.312 38.242 38.000 -0.117 0.000 2.186 71 I HN -0.180 nan 8.210 nan 0.000 0.604 72 E N 0.566 120.739 120.200 -0.045 0.000 2.086 72 E HA -0.246 3.981 4.350 -0.205 0.000 0.200 72 E C 1.313 177.813 176.600 -0.166 0.000 1.012 72 E CA 1.761 58.094 56.400 -0.112 0.000 0.812 72 E CB -0.312 29.308 29.700 -0.134 0.000 0.743 72 E HN 0.545 nan 8.360 nan 0.000 0.453 73 H N -1.495 117.551 119.070 -0.039 0.000 2.481 73 H HA 0.430 4.864 4.556 -0.205 0.000 0.273 73 H C 1.490 176.822 175.328 0.007 0.000 1.145 73 H CA 0.202 56.234 56.048 -0.027 0.000 0.964 73 H CB 0.488 30.234 29.762 -0.027 0.000 1.722 73 H HN 0.564 nan 8.280 nan 0.000 0.573 74 G N 0.694 109.561 108.800 0.112 0.000 2.377 74 G HA2 -0.283 3.554 3.960 -0.205 0.000 0.250 74 G HA3 -0.283 3.554 3.960 -0.205 0.000 0.250 74 G C 0.402 175.336 174.900 0.057 0.000 1.039 74 G CA 0.295 45.450 45.100 0.092 0.000 0.625 74 G HN 0.312 nan 8.290 nan 0.000 0.526 75 I N 1.795 122.397 120.570 0.054 0.000 2.392 75 I HA 0.410 4.458 4.170 -0.205 0.000 0.295 75 I C 0.940 177.016 176.117 -0.068 0.000 0.985 75 I CA -1.122 60.191 61.300 0.021 0.000 1.221 75 I CB 1.340 39.367 38.000 0.045 0.000 1.366 75 I HN 0.050 nan 8.210 nan 0.000 0.467 76 I N 5.780 126.258 120.570 -0.153 0.000 2.505 76 I HA -0.005 4.042 4.170 -0.205 0.000 0.287 76 I C 1.353 177.171 176.117 -0.499 0.000 1.104 76 I CA 0.258 61.304 61.300 -0.424 0.000 1.387 76 I CB 0.618 38.176 38.000 -0.737 0.000 1.404 76 I HN 0.687 nan 8.210 nan 0.000 0.528 77 T N 0.573 114.884 114.554 -0.406 0.000 3.023 77 T HA 0.118 4.345 4.350 -0.205 0.000 0.253 77 T C 0.519 175.023 174.700 -0.326 0.000 1.038 77 T CA -0.228 61.704 62.100 -0.279 0.000 0.962 77 T CB -0.027 68.775 68.868 -0.110 0.000 1.018 77 T HN 0.477 nan 8.240 nan 0.000 0.521 78 N N -0.185 118.233 118.700 -0.470 0.000 2.609 78 N HA 0.249 4.867 4.740 -0.205 0.000 0.268 78 N C -0.569 174.745 175.510 -0.327 0.000 1.106 78 N CA -0.935 51.944 53.050 -0.285 0.000 0.823 78 N CB 0.606 39.001 38.487 -0.154 0.000 1.263 78 N HN 0.236 nan 8.380 nan 0.000 0.533 79 W N 1.559 122.869 121.300 0.018 0.000 2.402 79 W HA 0.008 4.546 4.660 -0.203 0.000 0.286 79 W C 1.451 177.993 176.519 0.038 0.000 1.221 79 W CA 0.221 57.589 57.345 0.039 0.000 1.257 79 W CB 0.266 29.777 29.460 0.086 0.000 1.120 79 W HN 0.443 nan 8.180 nan 0.000 0.551 80 D N 0.362 120.879 120.400 0.196 0.000 2.097 80 D HA -0.173 4.345 4.640 -0.205 0.000 0.195 80 D C 1.510 177.851 176.300 0.067 0.000 0.989 80 D CA 1.652 55.728 54.000 0.127 0.000 0.827 80 D CB -0.571 40.279 40.800 0.083 0.000 0.966 80 D HN 0.085 nan 8.370 nan 0.000 0.456 81 D N -0.289 120.109 120.400 -0.004 0.000 2.144 81 D HA -0.096 4.421 4.640 -0.205 0.000 0.200 81 D C 1.958 178.193 176.300 -0.108 0.000 0.978 81 D CA 0.431 54.397 54.000 -0.056 0.000 0.833 81 D CB -0.226 40.517 40.800 -0.096 0.000 0.961 81 D HN 0.088 nan 8.370 nan 0.000 0.470 82 M N 0.929 120.416 119.600 -0.189 0.000 2.117 82 M HA -0.119 4.238 4.480 -0.205 0.000 0.262 82 M C 1.698 177.834 176.300 -0.272 0.000 1.065 82 M CA 1.467 56.515 55.300 -0.420 0.000 1.114 82 M CB -0.143 32.075 32.600 -0.637 0.000 1.361 82 M HN -0.074 nan 8.290 nan 0.000 0.408 83 E N -0.356 119.921 120.200 0.128 0.000 2.097 83 E HA -0.263 3.964 4.350 -0.205 0.000 0.196 83 E C 2.009 178.870 176.600 0.436 0.000 1.000 83 E CA 1.539 58.222 56.400 0.471 0.000 0.804 83 E CB -0.163 29.769 29.700 0.387 0.000 0.740 83 E HN 0.558 nan 8.360 nan 0.000 0.454 84 K N 0.322 120.849 120.400 0.212 0.000 2.097 84 K HA -0.122 4.075 4.320 -0.205 0.000 0.206 84 K C 2.178 178.906 176.600 0.214 0.000 1.049 84 K CA 0.954 57.355 56.287 0.190 0.000 0.933 84 K CB -0.096 32.442 32.500 0.064 0.000 0.717 84 K HN 0.148 nan 8.250 nan 0.000 0.442 85 I N -0.277 120.340 120.570 0.078 0.000 2.179 85 I HA -0.283 3.765 4.170 -0.205 0.000 0.242 85 I C 2.150 178.361 176.117 0.158 0.000 1.088 85 I CA 1.108 62.448 61.300 0.066 0.000 1.357 85 I CB -0.309 37.607 38.000 -0.139 0.000 1.051 85 I HN 0.317 nan 8.210 nan 0.000 0.409 86 W N 0.668 122.019 121.300 0.085 0.000 2.358 86 W HA -0.203 4.334 4.660 -0.204 0.000 0.303 86 W C 2.711 179.061 176.519 -0.282 0.000 1.208 86 W CA 1.335 58.531 57.345 -0.249 0.000 1.274 86 W CB -1.443 27.882 29.460 -0.225 0.000 1.138 86 W HN 0.339 nan 8.180 nan 0.000 0.515 87 H N -0.600 118.716 119.070 0.411 0.000 2.290 87 H HA -0.238 4.195 4.556 -0.205 0.000 0.298 87 H C 2.167 177.733 175.328 0.397 0.000 1.087 87 H CA 2.508 58.901 56.048 0.575 0.000 1.291 87 H CB -0.557 29.579 29.762 0.623 0.000 1.369 87 H HN 0.208 nan 8.280 nan 0.000 0.492 88 H N -0.005 119.261 119.070 0.327 0.000 2.352 88 H HA -0.096 4.338 4.556 -0.204 0.000 0.299 88 H C 2.093 177.402 175.328 -0.032 0.000 1.097 88 H CA 2.521 58.652 56.048 0.138 0.000 1.311 88 H CB -0.129 29.658 29.762 0.041 0.000 1.377 88 H HN 0.262 nan 8.280 nan 0.000 0.504 89 T N 0.242 114.786 114.554 -0.018 0.000 2.652 89 T HA -0.148 4.080 4.350 -0.205 0.000 0.267 89 T C 1.557 176.093 174.700 -0.272 0.000 1.039 89 T CA 1.648 63.669 62.100 -0.132 0.000 1.153 89 T CB -0.429 68.370 68.868 -0.116 0.000 0.863 89 T HN 0.197 nan 8.240 nan 0.000 0.428 90 F N 0.117 119.940 119.950 -0.211 0.000 2.060 90 F HA 0.074 4.479 4.527 -0.204 0.000 0.295 90 F C 2.211 177.731 175.800 -0.466 0.000 1.120 90 F CA 0.585 58.332 58.000 -0.423 0.000 1.205 90 F CB -1.156 37.457 39.000 -0.645 0.000 0.986 90 F HN 0.167 nan 8.300 nan 0.000 0.470 91 Y N -0.197 120.059 120.300 -0.074 0.000 2.286 91 Y HA -0.062 4.365 4.550 -0.205 0.000 0.293 91 Y C 2.024 177.844 175.900 -0.133 0.000 1.124 91 Y CA 1.516 59.547 58.100 -0.115 0.000 1.178 91 Y CB -0.869 37.466 38.460 -0.208 0.000 1.010 91 Y HN 0.105 nan 8.280 nan 0.000 0.536 92 N N -1.225 117.393 118.700 -0.138 0.000 2.439 92 N HA -0.058 4.559 4.740 -0.205 0.000 0.176 92 N C 1.454 176.768 175.510 -0.327 0.000 1.029 92 N CA 0.512 53.397 53.050 -0.276 0.000 0.886 92 N CB 0.250 38.433 38.487 -0.506 0.000 1.057 92 N HN 0.162 nan 8.380 nan 0.000 0.437 93 E N 0.891 120.851 120.200 -0.400 0.000 2.099 93 E HA 0.103 4.330 4.350 -0.205 0.000 0.191 93 E C 1.838 178.368 176.600 -0.116 0.000 0.962 93 E CA 0.576 56.813 56.400 -0.271 0.000 0.826 93 E CB 0.177 29.707 29.700 -0.283 0.000 0.788 93 E HN 0.314 nan 8.360 nan 0.000 0.461 94 L N -0.040 121.119 121.223 -0.108 0.000 2.416 94 L HA 0.188 4.406 4.340 -0.205 0.000 0.216 94 L C 0.350 177.259 176.870 0.066 0.000 1.098 94 L CA 0.017 54.838 54.840 -0.032 0.000 0.840 94 L CB -0.025 41.927 42.059 -0.179 0.000 0.981 94 L HN 0.015 nan 8.230 nan 0.000 0.462 95 R N 0.666 121.161 120.500 -0.009 0.000 3.264 95 R HA -0.130 4.087 4.340 -0.205 0.000 0.251 95 R C -0.774 175.536 176.300 0.017 0.000 0.971 95 R CA 0.482 56.589 56.100 0.012 0.000 0.658 95 R CB -1.882 28.440 30.300 0.038 0.000 1.095 95 R HN 0.318 nan 8.270 nan 0.000 0.443 96 V N -3.317 116.556 119.914 -0.068 0.000 2.914 96 V HA 0.904 4.901 4.120 -0.205 0.000 0.314 96 V C 0.217 176.172 176.094 -0.231 0.000 1.084 96 V CA -0.690 61.571 62.300 -0.066 0.000 0.963 96 V CB 2.277 34.017 31.823 -0.139 0.000 1.025 96 V HN 0.248 nan 8.190 nan 0.000 0.432 97 A N 4.265 127.034 122.820 -0.084 0.000 2.347 97 A HA 0.687 4.884 4.320 -0.205 0.000 0.287 97 A C -1.141 176.334 177.584 -0.182 0.000 1.199 97 A CA -1.391 50.556 52.037 -0.150 0.000 0.851 97 A CB 0.276 19.280 19.000 0.006 0.000 1.118 97 A HN 0.831 nan 8.150 nan 0.000 0.525 98 P HA -0.177 nan 4.420 nan 0.000 0.223 98 P C 1.008 178.119 177.300 -0.314 0.000 1.151 98 P CA 1.083 63.790 63.100 -0.655 0.000 0.787 98 P CB 0.200 31.087 31.700 -1.354 0.000 0.788 99 E N 1.251 121.353 120.200 -0.164 0.000 2.401 99 E HA -0.181 4.046 4.350 -0.205 0.000 0.199 99 E C 0.844 177.359 176.600 -0.141 0.000 1.023 99 E CA 1.040 57.380 56.400 -0.099 0.000 0.859 99 E CB -0.642 29.043 29.700 -0.026 0.000 0.780 99 E HN 0.403 nan 8.360 nan 0.000 0.523 100 E N 0.127 120.206 120.200 -0.201 0.000 2.476 100 E HA 0.111 4.338 4.350 -0.205 0.000 0.196 100 E C -0.256 175.933 176.600 -0.684 0.000 1.029 100 E CA -0.003 56.163 56.400 -0.391 0.000 0.896 100 E CB 0.247 29.694 29.700 -0.421 0.000 1.012 100 E HN 0.318 nan 8.360 nan 0.000 0.475 101 H N 0.128 119.084 119.070 -0.190 0.000 2.856 101 H HA 0.259 4.692 4.556 -0.204 0.000 0.355 101 H C -2.687 172.464 175.328 -0.295 0.000 1.079 101 H CA -2.350 53.577 56.048 -0.202 0.000 1.240 101 H CB 1.763 31.439 29.762 -0.143 0.000 1.701 101 H HN -0.097 nan 8.280 nan 0.000 0.527 102 P HA 0.074 nan 4.420 nan 0.000 0.268 102 P C -0.365 176.681 177.300 -0.423 0.000 1.204 102 P CA 0.094 62.802 63.100 -0.654 0.000 0.768 102 P CB 0.668 31.518 31.700 -1.417 0.000 0.842 103 T N 3.702 118.116 114.554 -0.234 0.000 2.840 103 T HA 0.418 4.646 4.350 -0.205 0.000 0.287 103 T C -0.483 174.398 174.700 0.302 0.000 0.991 103 T CA -0.460 61.659 62.100 0.032 0.000 0.964 103 T CB 0.427 69.263 68.868 -0.053 0.000 0.954 103 T HN 0.232 nan 8.240 nan 0.000 0.438 104 L N 5.357 126.808 121.223 0.381 0.000 2.264 104 L HA 0.647 4.865 4.340 -0.205 0.000 0.289 104 L C -1.148 175.807 176.870 0.141 0.000 1.044 104 L CA -0.574 54.471 54.840 0.342 0.000 0.807 104 L CB 0.339 42.528 42.059 0.217 0.000 1.192 104 L HN 0.563 nan 8.230 nan 0.000 0.425 105 L N 3.674 124.965 121.223 0.113 0.000 2.322 105 L HA 0.667 4.884 4.340 -0.205 0.000 0.269 105 L C 0.197 177.115 176.870 0.080 0.000 1.012 105 L CA -0.685 54.195 54.840 0.067 0.000 0.815 105 L CB 2.149 44.214 42.059 0.010 0.000 1.295 105 L HN 0.620 nan 8.230 nan 0.000 0.438 106 T N -1.790 112.821 114.554 0.095 0.000 2.932 106 T HA 0.685 4.913 4.350 -0.205 0.000 0.289 106 T C -0.728 174.026 174.700 0.090 0.000 1.039 106 T CA -0.752 61.390 62.100 0.070 0.000 1.024 106 T CB 2.115 71.015 68.868 0.053 0.000 1.090 106 T HN 0.761 nan 8.240 nan 0.000 0.496 107 E N 0.766 120.999 120.200 0.055 0.000 2.416 107 E HA 0.673 4.900 4.350 -0.205 0.000 0.273 107 E C -0.620 175.987 176.600 0.011 0.000 0.935 107 E CA -1.621 54.815 56.400 0.060 0.000 0.784 107 E CB 1.734 31.478 29.700 0.073 0.000 1.301 107 E HN 0.874 nan 8.360 nan 0.000 0.454 108 A N 1.887 124.712 122.820 0.008 0.000 2.406 108 A HA 0.385 4.583 4.320 -0.205 0.000 0.243 108 A C -2.203 175.296 177.584 -0.140 0.000 1.082 108 A CA -1.031 50.972 52.037 -0.057 0.000 0.786 108 A CB -0.548 18.450 19.000 -0.004 0.000 1.029 108 A HN 0.496 nan 8.150 nan 0.000 0.495 109 P HA 0.224 nan 4.420 nan 0.000 0.266 109 P C 0.045 177.212 177.300 -0.222 0.000 1.195 109 P CA 0.296 63.192 63.100 -0.341 0.000 0.768 109 P CB 0.162 31.473 31.700 -0.649 0.000 0.838 110 L N -1.586 119.569 121.223 -0.114 0.000 3.843 110 L HA -0.280 3.937 4.340 -0.205 0.000 0.411 110 L C 0.467 177.333 176.870 -0.007 0.000 1.205 110 L CA -0.032 54.781 54.840 -0.045 0.000 0.945 110 L CB -2.010 40.032 42.059 -0.029 0.000 1.929 110 L HN 0.496 nan 8.230 nan 0.000 0.934 111 N N 1.626 120.328 118.700 0.003 0.000 2.483 111 N HA 0.272 4.890 4.740 -0.205 0.000 0.264 111 N C -2.071 173.482 175.510 0.071 0.000 1.197 111 N CA -0.969 52.112 53.050 0.052 0.000 0.927 111 N CB 0.742 39.273 38.487 0.072 0.000 1.065 111 N HN -0.038 nan 8.380 nan 0.000 0.461 112 P HA 0.050 nan 4.420 nan 0.000 0.269 112 P C 0.310 177.677 177.300 0.112 0.000 1.209 112 P CA -0.057 63.094 63.100 0.085 0.000 0.776 112 P CB 0.604 32.364 31.700 0.101 0.000 0.876 113 K N 2.028 122.469 120.400 0.068 0.000 2.074 113 K HA -0.209 3.988 4.320 -0.205 0.000 0.209 113 K C 1.901 178.623 176.600 0.204 0.000 1.048 113 K CA 1.996 58.345 56.287 0.104 0.000 0.926 113 K CB -0.542 31.863 32.500 -0.158 0.000 0.713 113 K HN 0.483 nan 8.250 nan 0.000 0.444 114 A N 1.650 124.552 122.820 0.135 0.000 2.019 114 A HA -0.194 4.003 4.320 -0.205 0.000 0.219 114 A C 1.968 179.628 177.584 0.126 0.000 1.164 114 A CA 1.414 53.523 52.037 0.120 0.000 0.644 114 A CB -0.505 18.548 19.000 0.089 0.000 0.805 114 A HN 0.288 nan 8.150 nan 0.000 0.449 115 N N 0.100 118.922 118.700 0.205 0.000 2.080 115 N HA -0.179 4.438 4.740 -0.205 0.000 0.189 115 N C 1.998 177.678 175.510 0.283 0.000 1.036 115 N CA 1.542 54.793 53.050 0.335 0.000 0.846 115 N CB -0.351 38.357 38.487 0.369 0.000 1.015 115 N HN 0.585 nan 8.380 nan 0.000 0.423 116 R N 0.972 121.611 120.500 0.232 0.000 2.105 116 R HA -0.090 4.127 4.340 -0.205 0.000 0.239 116 R C 1.802 178.156 176.300 0.089 0.000 1.135 116 R CA 1.495 57.700 56.100 0.175 0.000 0.967 116 R CB -0.030 30.375 30.300 0.173 0.000 0.861 116 R HN 0.367 nan 8.270 nan 0.000 0.442 117 E N -0.109 120.149 120.200 0.096 0.000 2.150 117 E HA -0.211 4.016 4.350 -0.205 0.000 0.193 117 E C 1.857 178.450 176.600 -0.010 0.000 0.985 117 E CA 1.045 57.475 56.400 0.051 0.000 0.814 117 E CB 0.060 29.820 29.700 0.100 0.000 0.752 117 E HN 0.080 nan 8.360 nan 0.000 0.466 118 K N 1.049 121.376 120.400 -0.122 0.000 2.062 118 K HA -0.059 4.139 4.320 -0.205 0.000 0.205 118 K C 1.910 178.347 176.600 -0.272 0.000 1.051 118 K CA 1.224 57.282 56.287 -0.382 0.000 0.941 118 K CB -0.105 31.804 32.500 -0.985 0.000 0.719 118 K HN 0.027 nan 8.250 nan 0.000 0.440 119 M N -0.068 119.505 119.600 -0.044 0.000 2.082 119 M HA -0.213 4.144 4.480 -0.205 0.000 0.258 119 M C 1.951 178.234 176.300 -0.027 0.000 1.069 119 M CA 2.317 57.738 55.300 0.201 0.000 1.102 119 M CB -0.716 32.075 32.600 0.319 0.000 1.336 119 M HN 0.134 nan 8.290 nan 0.000 0.404 120 T N -0.305 114.209 114.554 -0.068 0.000 2.708 120 T HA -0.215 4.012 4.350 -0.205 0.000 0.266 120 T C 1.763 176.362 174.700 -0.168 0.000 1.037 120 T CA 1.466 63.464 62.100 -0.170 0.000 1.146 120 T CB -0.317 68.506 68.868 -0.075 0.000 0.865 120 T HN 0.469 nan 8.240 nan 0.000 0.435 121 Q N 0.319 120.104 119.800 -0.025 0.000 2.096 121 Q HA -0.108 4.109 4.340 -0.205 0.000 0.204 121 Q C 2.326 178.348 176.000 0.036 0.000 0.982 121 Q CA 1.396 57.238 55.803 0.066 0.000 0.850 121 Q CB -0.304 28.484 28.738 0.083 0.000 0.901 121 Q HN 0.543 nan 8.270 nan 0.000 0.422 122 I N 0.255 120.842 120.570 0.028 0.000 2.142 122 I HA -0.325 3.722 4.170 -0.205 0.000 0.240 122 I C 2.513 178.692 176.117 0.103 0.000 1.078 122 I CA 0.917 62.279 61.300 0.103 0.000 1.343 122 I CB -0.322 37.860 38.000 0.303 0.000 1.046 122 I HN 0.324 nan 8.210 nan 0.000 0.405 123 M N -0.134 119.460 119.600 -0.010 0.000 2.082 123 M HA -0.230 4.127 4.480 -0.205 0.000 0.258 123 M C 2.419 178.644 176.300 -0.125 0.000 1.069 123 M CA 2.132 57.374 55.300 -0.096 0.000 1.102 123 M CB -1.128 31.213 32.600 -0.433 0.000 1.336 123 M HN 0.153 nan 8.290 nan 0.000 0.404 124 F N 0.295 120.164 119.950 -0.135 0.000 2.234 124 F HA -0.077 4.328 4.527 -0.204 0.000 0.296 124 F C 2.371 178.141 175.800 -0.049 0.000 1.089 124 F CA 1.082 58.988 58.000 -0.156 0.000 1.343 124 F CB -0.460 38.299 39.000 -0.401 0.000 1.040 124 F HN 0.281 nan 8.300 nan 0.000 0.498 125 E N -1.532 118.761 120.200 0.155 0.000 2.251 125 E HA -0.007 4.220 4.350 -0.205 0.000 0.194 125 E C 1.839 178.453 176.600 0.022 0.000 0.964 125 E CA 1.064 57.526 56.400 0.104 0.000 0.868 125 E CB 0.040 29.806 29.700 0.110 0.000 0.828 125 E HN 0.214 nan 8.360 nan 0.000 0.481 126 T N 0.108 114.632 114.554 -0.049 0.000 2.983 126 T HA 0.046 4.273 4.350 -0.205 0.000 0.250 126 T C 1.075 175.603 174.700 -0.286 0.000 1.037 126 T CA 0.563 62.526 62.100 -0.229 0.000 1.142 126 T CB -0.020 68.606 68.868 -0.403 0.000 0.876 126 T HN 0.020 nan 8.240 nan 0.000 0.455 127 F N 1.506 121.505 119.950 0.082 0.000 2.746 127 F HA 0.342 4.746 4.527 -0.204 0.000 0.297 127 F C 0.803 176.576 175.800 -0.046 0.000 1.113 127 F CA -0.510 57.506 58.000 0.028 0.000 1.367 127 F CB -0.354 38.631 39.000 -0.024 0.000 1.111 127 F HN 0.022 nan 8.300 nan 0.000 0.590 128 N N 0.367 119.142 118.700 0.125 0.000 2.735 128 N HA -0.155 4.462 4.740 -0.205 0.000 0.248 128 N C -0.187 175.355 175.510 0.054 0.000 1.083 128 N CA 0.848 53.958 53.050 0.099 0.000 0.703 128 N CB -2.092 36.439 38.487 0.073 0.000 1.005 128 N HN 0.235 nan 8.380 nan 0.000 0.550 129 V N -1.520 118.392 119.914 -0.004 0.000 2.763 129 V HA 0.155 4.152 4.120 -0.205 0.000 0.306 129 V C -0.427 175.694 176.094 0.046 0.000 1.059 129 V CA -0.707 61.531 62.300 -0.105 0.000 1.138 129 V CB 0.740 32.392 31.823 -0.284 0.000 0.940 129 V HN -0.021 nan 8.190 nan 0.000 0.489 130 P HA 0.212 nan 4.420 nan 0.000 0.225 130 P C 0.312 177.687 177.300 0.125 0.000 1.156 130 P CA 1.553 64.671 63.100 0.030 0.000 0.787 130 P CB 0.367 32.015 31.700 -0.086 0.000 0.802 131 A N -0.455 122.397 122.820 0.054 0.000 2.599 131 A HA 0.734 4.931 4.320 -0.205 0.000 0.294 131 A C -0.895 176.664 177.584 -0.042 0.000 1.055 131 A CA -0.643 51.451 52.037 0.094 0.000 0.683 131 A CB 0.959 19.877 19.000 -0.138 0.000 1.278 131 A HN 0.100 nan 8.150 nan 0.000 0.412 132 M N 0.058 119.781 119.600 0.206 0.000 2.880 132 M HA 0.888 5.245 4.480 -0.205 0.000 0.269 132 M C -1.730 174.913 176.300 0.572 0.000 1.248 132 M CA -0.678 54.773 55.300 0.252 0.000 0.821 132 M CB 1.961 34.403 32.600 -0.264 0.000 1.650 132 M HN 1.172 nan 8.290 nan 0.000 0.479 133 Y N -0.014 120.478 120.300 0.320 0.000 2.558 133 Y HA 0.719 5.146 4.550 -0.205 0.000 0.333 133 Y C -2.218 173.743 175.900 0.101 0.000 1.125 133 Y CA -0.719 57.494 58.100 0.189 0.000 1.039 133 Y CB 2.189 40.745 38.460 0.161 0.000 1.331 133 Y HN 0.666 nan 8.280 nan 0.000 0.456 134 V N 4.533 124.236 119.914 -0.353 0.000 2.444 134 V HA 0.891 4.888 4.120 -0.205 0.000 0.294 134 V C -0.490 175.452 176.094 -0.254 0.000 1.022 134 V CA -0.366 61.829 62.300 -0.176 0.000 0.850 134 V CB 1.147 32.897 31.823 -0.121 0.000 0.992 134 V HN 0.897 nan 8.190 nan 0.000 0.426 135 A N 5.236 128.053 122.820 -0.004 0.000 2.356 135 A HA 0.884 5.081 4.320 -0.205 0.000 0.323 135 A C -0.524 177.054 177.584 -0.009 0.000 1.119 135 A CA -0.760 51.302 52.037 0.042 0.000 0.790 135 A CB 0.945 20.040 19.000 0.158 0.000 1.273 135 A HN 0.778 nan 8.150 nan 0.000 0.452 136 I N 1.874 122.421 120.570 -0.038 0.000 2.496 136 I HA -0.000 4.047 4.170 -0.205 0.000 0.285 136 I C 1.371 177.435 176.117 -0.088 0.000 1.080 136 I CA 0.038 61.300 61.300 -0.065 0.000 1.404 136 I CB 1.009 38.959 38.000 -0.083 0.000 1.403 136 I HN 0.899 nan 8.210 nan 0.000 0.539 137 Q N 4.625 124.385 119.800 -0.067 0.000 2.077 137 Q HA -0.247 3.970 4.340 -0.205 0.000 0.206 137 Q C 2.265 178.214 176.000 -0.085 0.000 0.989 137 Q CA 2.266 58.036 55.803 -0.055 0.000 0.853 137 Q CB -0.190 28.537 28.738 -0.019 0.000 0.907 137 Q HN 0.908 nan 8.270 nan 0.000 0.418 138 A N 0.117 122.878 122.820 -0.098 0.000 1.972 138 A HA -0.125 4.072 4.320 -0.205 0.000 0.219 138 A C 2.318 179.803 177.584 -0.166 0.000 1.169 138 A CA 1.241 53.218 52.037 -0.101 0.000 0.635 138 A CB -0.575 18.372 19.000 -0.090 0.000 0.810 138 A HN 0.226 nan 8.150 nan 0.000 0.446 139 V N 0.154 119.929 119.914 -0.231 0.000 2.343 139 V HA -0.251 3.747 4.120 -0.205 0.000 0.247 139 V C 2.539 178.227 176.094 -0.677 0.000 1.051 139 V CA 1.887 63.934 62.300 -0.422 0.000 1.036 139 V CB -0.743 30.847 31.823 -0.389 0.000 0.654 139 V HN 0.582 nan 8.190 nan 0.000 0.451 140 L N -0.258 120.703 121.223 -0.436 0.000 2.046 140 L HA -0.160 4.057 4.340 -0.205 0.000 0.208 140 L C 2.623 179.397 176.870 -0.160 0.000 1.077 140 L CA 1.660 56.316 54.840 -0.306 0.000 0.747 140 L CB -0.669 41.302 42.059 -0.147 0.000 0.896 140 L HN 0.306 nan 8.230 nan 0.000 0.432 141 S N 0.043 115.673 115.700 -0.116 0.000 2.382 141 S HA -0.172 4.175 4.470 -0.205 0.000 0.228 141 S C 1.854 176.435 174.600 -0.032 0.000 1.027 141 S CA 1.118 59.295 58.200 -0.040 0.000 0.991 141 S CB -0.288 62.899 63.200 -0.022 0.000 0.823 141 S HN 0.226 nan 8.310 nan 0.000 0.469 142 L N 0.819 121.987 121.223 -0.091 0.000 2.017 142 L HA -0.099 4.118 4.340 -0.205 0.000 0.208 142 L C 1.979 178.898 176.870 0.083 0.000 1.073 142 L CA 1.788 56.608 54.840 -0.032 0.000 0.745 142 L CB -0.784 41.230 42.059 -0.075 0.000 0.894 142 L HN 0.236 nan 8.230 nan 0.000 0.432 143 Y N -0.093 120.183 120.300 -0.039 0.000 2.165 143 Y HA -0.181 4.246 4.550 -0.204 0.000 0.286 143 Y C 2.619 178.492 175.900 -0.046 0.000 1.155 143 Y CA 0.719 58.786 58.100 -0.056 0.000 1.164 143 Y CB -1.604 36.801 38.460 -0.092 0.000 0.978 143 Y HN 0.311 nan 8.280 nan 0.000 0.513 144 A N -0.361 122.538 122.820 0.131 0.000 2.019 144 A HA -0.144 4.054 4.320 -0.205 0.000 0.219 144 A C 2.325 179.947 177.584 0.063 0.000 1.164 144 A CA 1.754 53.836 52.037 0.076 0.000 0.644 144 A CB -0.888 18.150 19.000 0.065 0.000 0.805 144 A HN 0.449 nan 8.150 nan 0.000 0.449 145 S N -1.782 113.955 115.700 0.063 0.000 2.593 145 S HA 0.374 4.721 4.470 -0.205 0.000 0.217 145 S C 1.276 175.904 174.600 0.047 0.000 0.966 145 S CA 0.995 59.225 58.200 0.051 0.000 0.914 145 S CB -0.397 62.830 63.200 0.045 0.000 0.776 145 S HN 1.922 nan 8.310 nan 0.000 0.523 146 G N 0.741 109.572 108.800 0.052 0.000 2.132 146 G HA2 -0.221 3.617 3.960 -0.205 0.000 0.228 146 G HA3 -0.221 3.617 3.960 -0.205 0.000 0.228 146 G C -0.059 174.860 174.900 0.032 0.000 1.000 146 G CA -0.101 45.017 45.100 0.031 0.000 0.693 146 G HN 0.641 nan 8.290 nan 0.000 0.515 147 R N -1.214 119.326 120.500 0.066 0.000 2.854 147 R HA 0.718 4.935 4.340 -0.205 0.000 0.271 147 R C 1.135 177.506 176.300 0.117 0.000 0.994 147 R CA -0.141 55.996 56.100 0.062 0.000 0.945 147 R CB 1.361 31.694 30.300 0.055 0.000 1.194 147 R HN 0.265 nan 8.270 nan 0.000 0.476 148 T N -3.534 111.062 114.554 0.070 0.000 3.043 148 T HA 0.180 4.407 4.350 -0.205 0.000 0.272 148 T C 0.275 174.994 174.700 0.032 0.000 0.990 148 T CA -0.062 62.104 62.100 0.110 0.000 0.897 148 T CB 0.554 69.448 68.868 0.043 0.000 1.111 148 T HN 0.381 nan 8.240 nan 0.000 0.529 149 T N 1.244 115.801 114.554 0.004 0.000 2.848 149 T HA 0.743 4.970 4.350 -0.205 0.000 0.285 149 T C -0.104 174.619 174.700 0.039 0.000 0.995 149 T CA -0.218 61.886 62.100 0.007 0.000 0.970 149 T CB 1.611 70.459 68.868 -0.035 0.000 0.976 149 T HN 0.692 nan 8.240 nan 0.000 0.441 150 G N 1.591 110.417 108.800 0.044 0.000 2.315 150 G HA2 0.451 4.289 3.960 -0.205 0.000 0.294 150 G HA3 0.451 4.289 3.960 -0.205 0.000 0.294 150 G C -2.156 172.747 174.900 0.006 0.000 1.300 150 G CA -0.793 44.325 45.100 0.031 0.000 0.843 150 G HN 0.825 nan 8.290 nan 0.000 0.527 151 I N 0.662 121.228 120.570 -0.007 0.000 2.418 151 I HA 0.636 4.683 4.170 -0.205 0.000 0.287 151 I C -0.658 175.450 176.117 -0.015 0.000 1.008 151 I CA -1.032 60.252 61.300 -0.028 0.000 1.104 151 I CB 1.619 39.582 38.000 -0.061 0.000 1.264 151 I HN 0.335 nan 8.210 nan 0.000 0.438 152 V N 7.865 127.765 119.914 -0.022 0.000 2.439 152 V HA 0.284 4.282 4.120 -0.205 0.000 0.282 152 V C -0.196 175.896 176.094 -0.004 0.000 1.039 152 V CA -0.620 61.672 62.300 -0.013 0.000 0.913 152 V CB 1.554 33.361 31.823 -0.028 0.000 0.983 152 V HN 0.543 nan 8.190 nan 0.000 0.460 153 L N 4.705 125.932 121.223 0.007 0.000 2.264 153 L HA 0.562 4.780 4.340 -0.205 0.000 0.287 153 L C -0.454 176.423 176.870 0.012 0.000 1.039 153 L CA 0.227 55.072 54.840 0.008 0.000 0.829 153 L CB 1.004 43.066 42.059 0.005 0.000 1.211 153 L HN 0.641 nan 8.230 nan 0.000 0.427 154 D N 3.119 123.534 120.400 0.025 0.000 2.392 154 D HA 0.296 4.814 4.640 -0.205 0.000 0.228 154 D C -1.257 175.061 176.300 0.030 0.000 1.074 154 D CA 0.085 54.105 54.000 0.032 0.000 0.838 154 D CB 1.479 42.309 40.800 0.048 0.000 1.067 154 D HN 0.420 nan 8.370 nan 0.000 0.511 155 S N 2.453 118.159 115.700 0.011 0.000 2.640 155 S HA 0.723 5.070 4.470 -0.205 0.000 0.320 155 S C 0.233 174.833 174.600 -0.000 0.000 1.097 155 S CA -0.494 57.704 58.200 -0.003 0.000 1.092 155 S CB 0.858 64.052 63.200 -0.011 0.000 0.988 155 S HN 0.534 nan 8.310 nan 0.000 0.470 156 G N 2.855 111.656 108.800 0.001 0.000 3.310 156 G HA2 0.245 4.082 3.960 -0.205 0.000 0.176 156 G HA3 0.245 4.082 3.960 -0.205 0.000 0.176 156 G C 0.256 175.146 174.900 -0.016 0.000 1.307 156 G CA 0.011 45.108 45.100 -0.005 0.000 0.935 156 G HN 0.626 nan 8.290 nan 0.000 0.628 157 D N -1.652 118.734 120.400 -0.023 0.000 2.259 157 D HA 0.141 4.659 4.640 -0.205 0.000 0.216 157 D C 2.146 178.414 176.300 -0.055 0.000 0.961 157 D CA 1.377 55.354 54.000 -0.038 0.000 0.878 157 D CB 0.028 40.803 40.800 -0.043 0.000 1.009 157 D HN 0.391 nan 8.370 nan 0.000 0.490 158 G N -0.445 108.321 108.800 -0.056 0.000 2.944 158 G HA2 0.341 4.178 3.960 -0.205 0.000 0.220 158 G HA3 0.341 4.178 3.960 -0.205 0.000 0.220 158 G C -0.179 174.718 174.900 -0.005 0.000 1.100 158 G CA 0.120 45.163 45.100 -0.094 0.000 0.780 158 G HN 0.220 nan 8.290 nan 0.000 0.539 159 V N -0.129 119.795 119.914 0.017 0.000 3.178 159 V HA 0.733 4.730 4.120 -0.205 0.000 0.302 159 V C -1.445 174.605 176.094 -0.073 0.000 1.262 159 V CA -0.407 61.889 62.300 -0.006 0.000 1.030 159 V CB 2.476 34.320 31.823 0.035 0.000 1.074 159 V HN 0.025 nan 8.190 nan 0.000 0.438 160 T N 3.565 118.007 114.554 -0.187 0.000 2.848 160 T HA 0.701 4.929 4.350 -0.205 0.000 0.285 160 T C -1.402 173.119 174.700 -0.297 0.000 0.995 160 T CA -0.276 61.731 62.100 -0.155 0.000 0.970 160 T CB 1.107 69.901 68.868 -0.124 0.000 0.976 160 T HN 0.806 nan 8.240 nan 0.000 0.441 161 H N 1.149 120.194 119.070 -0.041 0.000 2.690 161 H HA 0.488 4.922 4.556 -0.204 0.000 0.368 161 H C -0.492 174.804 175.328 -0.053 0.000 1.150 161 H CA -0.725 55.294 56.048 -0.048 0.000 1.174 161 H CB 1.356 31.092 29.762 -0.043 0.000 1.684 161 H HN 0.466 nan 8.280 nan 0.000 0.538 162 N N 0.874 119.621 118.700 0.078 0.000 2.425 162 N HA 0.430 5.047 4.740 -0.205 0.000 0.268 162 N C -1.477 174.032 175.510 -0.001 0.000 0.991 162 N CA -0.438 52.621 53.050 0.015 0.000 0.931 162 N CB 1.592 40.064 38.487 -0.024 0.000 1.130 162 N HN 0.136 nan 8.380 nan 0.000 0.493 163 V N 4.211 124.109 119.914 -0.027 0.000 2.357 163 V HA 0.425 4.422 4.120 -0.205 0.000 0.281 163 V C -2.250 173.803 176.094 -0.069 0.000 1.015 163 V CA -1.625 60.638 62.300 -0.062 0.000 0.827 163 V CB 1.270 33.046 31.823 -0.078 0.000 1.018 163 V HN 0.587 nan 8.190 nan 0.000 0.432 164 P HA 0.574 nan 4.420 nan 0.000 0.282 164 P C -0.852 176.418 177.300 -0.049 0.000 1.249 164 P CA -0.288 62.768 63.100 -0.073 0.000 0.806 164 P CB 1.627 33.264 31.700 -0.105 0.000 0.984 165 I N 2.642 123.212 120.570 0.000 0.000 2.569 165 I HA 0.329 4.377 4.170 -0.205 0.000 0.290 165 I C -1.039 175.150 176.117 0.120 0.000 1.088 165 I CA -0.840 60.478 61.300 0.031 0.000 1.047 165 I CB 2.145 40.138 38.000 -0.013 0.000 1.237 165 I HN 0.265 nan 8.210 nan 0.000 0.421 166 Y N 5.093 125.393 120.300 -0.001 0.000 2.331 166 Y HA 0.346 4.773 4.550 -0.205 0.000 0.334 166 Y C 0.334 176.256 175.900 0.037 0.000 0.960 166 Y CA -0.814 57.297 58.100 0.017 0.000 1.130 166 Y CB 1.208 39.678 38.460 0.017 0.000 1.164 166 Y HN 0.714 nan 8.280 nan 0.000 0.458 167 E N 4.141 124.070 120.200 -0.452 0.000 2.328 167 E HA -0.285 3.943 4.350 -0.205 0.000 0.233 167 E C 1.028 177.594 176.600 -0.056 0.000 1.219 167 E CA 0.985 57.203 56.400 -0.304 0.000 0.717 167 E CB -1.350 28.114 29.700 -0.394 0.000 1.210 167 E HN 1.227 nan 8.360 nan 0.000 0.381 168 G N -2.054 106.766 108.800 0.034 0.000 2.175 168 G HA2 -0.369 3.469 3.960 -0.205 0.000 0.244 168 G HA3 -0.369 3.469 3.960 -0.205 0.000 0.244 168 G C -0.129 174.845 174.900 0.123 0.000 0.982 168 G CA 0.205 45.403 45.100 0.164 0.000 0.641 168 G HN 0.329 nan 8.290 nan 0.000 0.527 169 Y N 0.220 120.570 120.300 0.083 0.000 2.335 169 Y HA 0.765 5.192 4.550 -0.205 0.000 0.338 169 Y C 0.798 176.725 175.900 0.045 0.000 0.977 169 Y CA -1.472 56.671 58.100 0.072 0.000 1.114 169 Y CB 1.304 39.820 38.460 0.093 0.000 1.182 169 Y HN 1.017 nan 8.280 nan 0.000 0.463 170 A N 2.686 125.507 122.820 0.001 0.000 2.498 170 A HA 0.480 4.677 4.320 -0.205 0.000 0.239 170 A C -0.256 177.310 177.584 -0.031 0.000 1.068 170 A CA -0.271 51.746 52.037 -0.033 0.000 0.766 170 A CB 0.018 18.980 19.000 -0.064 0.000 1.003 170 A HN 0.940 nan 8.150 nan 0.000 0.497 171 L N 4.130 125.299 121.223 -0.090 0.000 2.287 171 L HA 0.270 4.488 4.340 -0.205 0.000 0.280 171 L C -1.636 175.057 176.870 -0.294 0.000 1.055 171 L CA -1.597 53.130 54.840 -0.187 0.000 0.863 171 L CB 1.469 43.351 42.059 -0.295 0.000 1.245 171 L HN 0.542 nan 8.230 nan 0.000 0.432 172 P HA -0.168 nan 4.420 nan 0.000 0.217 172 P C 1.143 178.384 177.300 -0.099 0.000 1.150 172 P CA 1.380 64.430 63.100 -0.084 0.000 0.832 172 P CB -0.019 31.682 31.700 0.002 0.000 0.787 173 H N -1.305 117.748 119.070 -0.028 0.000 2.521 173 H HA 0.223 4.656 4.556 -0.204 0.000 0.286 173 H C 1.439 176.743 175.328 -0.039 0.000 1.034 173 H CA 1.155 57.184 56.048 -0.032 0.000 1.278 173 H CB -0.840 28.902 29.762 -0.034 0.000 1.386 173 H HN 0.090 nan 8.280 nan 0.000 0.567 174 A N 0.916 123.491 122.820 -0.409 0.000 2.390 174 A HA 0.288 4.485 4.320 -0.205 0.000 0.232 174 A C 0.508 177.996 177.584 -0.160 0.000 1.233 174 A CA -0.518 51.369 52.037 -0.250 0.000 0.907 174 A CB -0.082 18.725 19.000 -0.322 0.000 0.967 174 A HN 0.285 nan 8.150 nan 0.000 0.512 175 I N 2.079 122.569 120.570 -0.133 0.000 2.618 175 I HA 0.086 4.133 4.170 -0.205 0.000 0.284 175 I C -0.110 175.998 176.117 -0.016 0.000 1.146 175 I CA 0.443 61.703 61.300 -0.066 0.000 1.425 175 I CB 0.736 38.700 38.000 -0.061 0.000 1.383 175 I HN 0.221 nan 8.210 nan 0.000 0.562 176 M N 7.014 126.620 119.600 0.010 0.000 2.364 176 M HA 0.439 4.796 4.480 -0.205 0.000 0.334 176 M C -0.422 175.898 176.300 0.033 0.000 1.107 176 M CA -0.486 54.815 55.300 0.001 0.000 0.988 176 M CB 1.722 34.299 32.600 -0.039 0.000 1.673 176 M HN 0.520 nan 8.290 nan 0.000 0.441 177 R N 2.779 123.258 120.500 -0.034 0.000 2.437 177 R HA 0.717 4.934 4.340 -0.205 0.000 0.310 177 R C -1.913 174.255 176.300 -0.220 0.000 0.955 177 R CA -0.678 55.292 56.100 -0.216 0.000 0.851 177 R CB 1.442 31.656 30.300 -0.143 0.000 1.161 177 R HN 0.657 nan 8.270 nan 0.000 0.446 178 L N 3.809 124.867 121.223 -0.276 0.000 2.349 178 L HA 0.358 4.575 4.340 -0.205 0.000 0.278 178 L C -0.717 176.045 176.870 -0.180 0.000 0.996 178 L CA -0.221 54.505 54.840 -0.189 0.000 0.825 178 L CB 1.850 43.814 42.059 -0.158 0.000 1.243 178 L HN 0.664 nan 8.230 nan 0.000 0.412 179 D N 5.081 125.403 120.400 -0.131 0.000 2.934 179 D HA 0.213 4.731 4.640 -0.205 0.000 0.237 179 D C -1.223 175.068 176.300 -0.016 0.000 1.158 179 D CA 0.092 54.062 54.000 -0.049 0.000 0.971 179 D CB -0.178 40.587 40.800 -0.058 0.000 1.123 179 D HN 0.412 nan 8.370 nan 0.000 0.467 180 L N 0.308 121.500 121.223 -0.053 0.000 2.543 180 L HA 0.713 4.930 4.340 -0.205 0.000 0.265 180 L C -1.619 175.211 176.870 -0.066 0.000 0.945 180 L CA -0.496 54.306 54.840 -0.063 0.000 0.869 180 L CB 1.363 43.365 42.059 -0.095 0.000 1.294 180 L HN 0.007 nan 8.230 nan 0.000 0.405 181 A N 3.173 125.965 122.820 -0.048 0.000 3.865 181 A HA 0.714 4.912 4.320 -0.205 0.000 0.284 181 A C 0.822 178.400 177.584 -0.011 0.000 1.105 181 A CA 0.004 52.022 52.037 -0.032 0.000 0.605 181 A CB -0.347 18.634 19.000 -0.030 0.000 1.594 181 A HN 1.241 nan 8.150 nan 0.000 0.741 182 G N -0.355 108.446 108.800 0.001 0.000 2.440 182 G HA2 -0.180 3.657 3.960 -0.205 0.000 0.218 182 G HA3 -0.180 3.657 3.960 -0.205 0.000 0.218 182 G C 1.430 176.333 174.900 0.005 0.000 1.154 182 G CA 1.506 46.619 45.100 0.021 0.000 0.767 182 G HN 0.719 nan 8.290 nan 0.000 0.552 183 R N 0.430 120.912 120.500 -0.029 0.000 2.091 183 R HA -0.077 4.140 4.340 -0.205 0.000 0.238 183 R C 2.181 178.465 176.300 -0.027 0.000 1.136 183 R CA 1.813 57.886 56.100 -0.045 0.000 0.959 183 R CB -0.181 30.064 30.300 -0.090 0.000 0.856 183 R HN 0.358 nan 8.270 nan 0.000 0.437 184 D N 0.228 120.615 120.400 -0.023 0.000 2.144 184 D HA -0.163 4.354 4.640 -0.205 0.000 0.200 184 D C 1.944 178.270 176.300 0.043 0.000 0.978 184 D CA 1.055 55.052 54.000 -0.004 0.000 0.833 184 D CB -0.007 40.776 40.800 -0.028 0.000 0.961 184 D HN 0.312 nan 8.370 nan 0.000 0.470 185 L N 0.940 122.191 121.223 0.047 0.000 2.056 185 L HA -0.134 4.083 4.340 -0.205 0.000 0.207 185 L C 2.652 179.579 176.870 0.096 0.000 1.078 185 L CA 1.122 56.019 54.840 0.095 0.000 0.749 185 L CB -0.970 41.151 42.059 0.102 0.000 0.901 185 L HN 0.011 nan 8.230 nan 0.000 0.433 186 T N -0.633 113.950 114.554 0.048 0.000 2.684 186 T HA -0.197 4.030 4.350 -0.205 0.000 0.267 186 T C 1.468 176.167 174.700 -0.001 0.000 1.036 186 T CA 1.691 63.792 62.100 0.002 0.000 1.148 186 T CB -0.283 68.573 68.868 -0.021 0.000 0.863 186 T HN 0.305 nan 8.240 nan 0.000 0.436 187 D N -0.087 120.327 120.400 0.025 0.000 2.123 187 D HA -0.083 4.435 4.640 -0.205 0.000 0.196 187 D C 1.697 178.047 176.300 0.083 0.000 0.992 187 D CA 0.965 54.987 54.000 0.038 0.000 0.833 187 D CB -0.404 40.418 40.800 0.037 0.000 0.954 187 D HN 0.415 nan 8.370 nan 0.000 0.455 188 Y N 0.803 121.089 120.300 -0.023 0.000 2.263 188 Y HA -0.082 4.354 4.550 -0.190 0.000 0.292 188 Y C 2.055 177.940 175.900 -0.025 0.000 1.130 188 Y CA 0.649 58.740 58.100 -0.016 0.000 1.179 188 Y CB -0.354 38.105 38.460 -0.001 0.000 0.998 188 Y HN -0.083 nan 8.280 nan 0.000 0.532 189 L N -0.003 121.167 121.223 -0.088 0.000 2.046 189 L HA -0.217 4.000 4.340 -0.205 0.000 0.208 189 L C 2.188 178.947 176.870 -0.184 0.000 1.077 189 L CA 1.860 56.589 54.840 -0.185 0.000 0.747 189 L CB -0.690 41.294 42.059 -0.125 0.000 0.896 189 L HN 0.278 nan 8.230 nan 0.000 0.432 190 M N -0.717 118.807 119.600 -0.127 0.000 2.082 190 M HA -0.281 4.076 4.480 -0.205 0.000 0.258 190 M C 2.342 178.631 176.300 -0.019 0.000 1.069 190 M CA 2.121 57.387 55.300 -0.056 0.000 1.102 190 M CB -0.535 32.062 32.600 -0.005 0.000 1.336 190 M HN 0.208 nan 8.290 nan 0.000 0.404 191 K N 1.369 121.721 120.400 -0.080 0.000 2.026 191 K HA -0.167 4.030 4.320 -0.205 0.000 0.208 191 K C 1.794 178.297 176.600 -0.161 0.000 1.048 191 K CA 1.677 57.910 56.287 -0.089 0.000 0.929 191 K CB -0.300 32.163 32.500 -0.063 0.000 0.713 191 K HN 0.541 nan 8.250 nan 0.000 0.439 192 I N -1.494 118.880 120.570 -0.327 0.000 2.676 192 I HA -0.132 3.915 4.170 -0.205 0.000 0.259 192 I C 1.771 177.808 176.117 -0.133 0.000 1.194 192 I CA 0.828 61.946 61.300 -0.305 0.000 1.473 192 I CB -0.237 37.465 38.000 -0.496 0.000 1.096 192 I HN 0.046 nan 8.210 nan 0.000 0.443 193 L N 1.078 122.275 121.223 -0.042 0.000 2.156 193 L HA -0.094 4.123 4.340 -0.205 0.000 0.208 193 L C 2.626 179.596 176.870 0.168 0.000 1.095 193 L CA 1.388 56.319 54.840 0.152 0.000 0.770 193 L CB -0.791 41.435 42.059 0.279 0.000 0.914 193 L HN 0.273 nan 8.230 nan 0.000 0.439 194 T N -0.682 113.933 114.554 0.101 0.000 2.833 194 T HA -0.187 4.040 4.350 -0.205 0.000 0.269 194 T C 1.649 176.326 174.700 -0.038 0.000 1.054 194 T CA 1.182 63.310 62.100 0.048 0.000 1.135 194 T CB -0.150 68.741 68.868 0.038 0.000 0.869 194 T HN 0.399 nan 8.240 nan 0.000 0.466 195 E N 0.623 120.785 120.200 -0.063 0.000 2.160 195 E HA -0.110 4.117 4.350 -0.205 0.000 0.195 195 E C 2.341 178.865 176.600 -0.128 0.000 0.991 195 E CA 0.652 56.998 56.400 -0.090 0.000 0.810 195 E CB 0.004 29.645 29.700 -0.100 0.000 0.742 195 E HN 0.223 nan 8.360 nan 0.000 0.466 196 R N -0.726 119.668 120.500 -0.175 0.000 2.276 196 R HA 0.016 4.233 4.340 -0.205 0.000 0.203 196 R C 1.331 177.372 176.300 -0.431 0.000 1.017 196 R CA 0.883 56.793 56.100 -0.318 0.000 1.010 196 R CB 0.524 30.560 30.300 -0.440 0.000 0.900 196 R HN 0.354 nan 8.270 nan 0.000 0.469 197 G N -0.098 108.522 108.800 -0.300 0.000 2.179 197 G HA2 -0.249 3.588 3.960 -0.205 0.000 0.220 197 G HA3 -0.249 3.588 3.960 -0.205 0.000 0.220 197 G C -0.255 174.529 174.900 -0.193 0.000 0.990 197 G CA -0.315 44.642 45.100 -0.237 0.000 0.646 197 G HN 0.176 nan 8.290 nan 0.000 0.517 198 Y N 0.848 121.114 120.300 -0.057 0.000 2.300 198 Y HA 0.697 5.243 4.550 -0.007 0.000 0.328 198 Y C 0.913 176.682 175.900 -0.219 0.000 1.270 198 Y CA -0.899 57.112 58.100 -0.148 0.000 1.352 198 Y CB 1.592 40.019 38.460 -0.055 0.000 1.286 198 Y HN 0.062 nan 8.280 nan 0.000 0.536 199 S N 2.005 117.549 115.700 -0.260 0.000 2.733 199 S HA 0.584 4.931 4.470 -0.205 0.000 0.307 199 S C -1.693 172.621 174.600 -0.476 0.000 1.127 199 S CA -0.477 57.571 58.200 -0.255 0.000 1.097 199 S CB -0.523 62.587 63.200 -0.151 0.000 1.003 199 S HN 0.393 nan 8.310 nan 0.000 0.477 200 F N 4.403 124.371 119.950 0.030 0.000 2.552 200 F HA 0.413 4.806 4.527 -0.223 0.000 0.369 200 F C 0.635 176.437 175.800 0.003 0.000 1.112 200 F CA -0.516 57.489 58.000 0.009 0.000 1.129 200 F CB 1.407 40.404 39.000 -0.005 0.000 1.360 200 F HN 0.379 nan 8.300 nan 0.000 0.473 201 V N -0.653 119.339 119.914 0.131 0.000 3.137 201 V HA 0.022 4.020 4.120 -0.205 0.000 0.236 201 V C 1.122 177.257 176.094 0.067 0.000 1.260 201 V CA 0.739 63.086 62.300 0.079 0.000 1.244 201 V CB 0.348 32.194 31.823 0.037 0.000 1.016 201 V HN 0.643 nan 8.190 nan 0.000 0.477 202 T N -1.808 112.786 114.554 0.066 0.000 2.813 202 T HA 0.067 4.295 4.350 -0.205 0.000 0.297 202 T C 1.419 176.153 174.700 0.057 0.000 1.036 202 T CA 0.780 62.910 62.100 0.051 0.000 1.044 202 T CB 1.227 70.120 68.868 0.041 0.000 0.993 202 T HN 0.268 nan 8.240 nan 0.000 0.535 203 T N 0.563 115.142 114.554 0.041 0.000 2.720 203 T HA -0.160 4.067 4.350 -0.205 0.000 0.268 203 T C 2.212 176.938 174.700 0.042 0.000 1.037 203 T CA 1.858 63.981 62.100 0.038 0.000 1.144 203 T CB -1.110 67.778 68.868 0.032 0.000 0.864 203 T HN 0.828 nan 8.240 nan 0.000 0.444 204 A N 0.755 123.602 122.820 0.045 0.000 1.933 204 A HA -0.057 4.141 4.320 -0.205 0.000 0.218 204 A C 2.187 179.819 177.584 0.079 0.000 1.175 204 A CA 1.874 53.942 52.037 0.052 0.000 0.628 204 A CB -0.617 18.410 19.000 0.046 0.000 0.814 204 A HN 0.750 nan 8.150 nan 0.000 0.444 205 E N -0.877 119.389 120.200 0.110 0.000 2.107 205 E HA -0.155 4.072 4.350 -0.205 0.000 0.191 205 E C 2.272 178.955 176.600 0.139 0.000 0.982 205 E CA 0.846 57.370 56.400 0.207 0.000 0.809 205 E CB -0.156 29.701 29.700 0.263 0.000 0.756 205 E HN 0.613 nan 8.360 nan 0.000 0.459 206 R N 1.199 121.742 120.500 0.071 0.000 2.096 206 R HA -0.163 4.055 4.340 -0.205 0.000 0.235 206 R C 1.692 177.971 176.300 -0.035 0.000 1.127 206 R CA 1.197 57.296 56.100 -0.000 0.000 0.968 206 R CB 0.062 30.367 30.300 0.008 0.000 0.861 206 R HN 0.099 nan 8.270 nan 0.000 0.440 207 E N 0.672 120.872 120.200 -0.001 0.000 2.106 207 E HA -0.174 4.054 4.350 -0.205 0.000 0.192 207 E C 2.088 178.676 176.600 -0.019 0.000 0.984 207 E CA 1.121 57.519 56.400 -0.004 0.000 0.806 207 E CB -0.157 29.555 29.700 0.021 0.000 0.750 207 E HN 0.479 nan 8.360 nan 0.000 0.458 208 I N 0.681 121.246 120.570 -0.009 0.000 2.226 208 I HA -0.234 3.813 4.170 -0.205 0.000 0.245 208 I C 2.439 178.408 176.117 -0.247 0.000 1.100 208 I CA 0.734 62.018 61.300 -0.026 0.000 1.374 208 I CB -0.277 37.777 38.000 0.089 0.000 1.057 208 I HN -0.085 nan 8.210 nan 0.000 0.413 209 V N 0.754 120.445 119.914 -0.372 0.000 2.343 209 V HA -0.278 3.719 4.120 -0.205 0.000 0.247 209 V C 2.624 178.553 176.094 -0.274 0.000 1.051 209 V CA 1.916 63.924 62.300 -0.487 0.000 1.036 209 V CB -0.811 30.698 31.823 -0.524 0.000 0.654 209 V HN 0.411 nan 8.190 nan 0.000 0.451 210 R N 0.270 120.673 120.500 -0.162 0.000 2.103 210 R HA -0.264 3.953 4.340 -0.205 0.000 0.242 210 R C 2.091 178.338 176.300 -0.089 0.000 1.142 210 R CA 2.435 58.478 56.100 -0.095 0.000 0.960 210 R CB -0.448 29.819 30.300 -0.054 0.000 0.858 210 R HN 0.607 nan 8.270 nan 0.000 0.439 211 D N -0.220 120.130 120.400 -0.085 0.000 2.117 211 D HA -0.124 4.393 4.640 -0.205 0.000 0.197 211 D C 1.862 178.096 176.300 -0.109 0.000 0.987 211 D CA 1.440 55.418 54.000 -0.036 0.000 0.829 211 D CB 0.029 40.873 40.800 0.073 0.000 0.961 211 D HN 0.312 nan 8.370 nan 0.000 0.460 212 I N 0.333 120.698 120.570 -0.340 0.000 2.163 212 I HA -0.263 3.784 4.170 -0.205 0.000 0.243 212 I C 2.497 178.505 176.117 -0.182 0.000 1.085 212 I CA 1.111 62.125 61.300 -0.476 0.000 1.347 212 I CB -0.367 37.218 38.000 -0.691 0.000 1.044 212 I HN 0.057 nan 8.210 nan 0.000 0.408 213 K N 1.362 121.684 120.400 -0.129 0.000 2.009 213 K HA -0.239 3.958 4.320 -0.205 0.000 0.210 213 K C 1.931 178.557 176.600 0.044 0.000 1.049 213 K CA 1.923 58.215 56.287 0.008 0.000 0.929 213 K CB -0.098 32.417 32.500 0.025 0.000 0.714 213 K HN 0.351 nan 8.250 nan 0.000 0.440 214 E N -0.125 120.058 120.200 -0.028 0.000 2.268 214 E HA -0.127 4.100 4.350 -0.205 0.000 0.195 214 E C 1.831 178.418 176.600 -0.022 0.000 0.995 214 E CA 0.944 57.304 56.400 -0.066 0.000 0.836 214 E CB 0.225 29.883 29.700 -0.069 0.000 0.763 214 E HN 0.306 nan 8.360 nan 0.000 0.491 215 K N -0.275 120.138 120.400 0.022 0.000 2.287 215 K HA 0.152 4.349 4.320 -0.205 0.000 0.199 215 K C 1.735 178.394 176.600 0.098 0.000 1.061 215 K CA 0.359 56.684 56.287 0.064 0.000 0.976 215 K CB 0.563 33.131 32.500 0.113 0.000 0.898 215 K HN 0.067 nan 8.250 nan 0.000 0.492 216 L N 0.118 121.404 121.223 0.105 0.000 2.749 216 L HA 0.192 4.409 4.340 -0.205 0.000 0.242 216 L C 0.580 177.599 176.870 0.248 0.000 1.103 216 L CA -0.339 54.593 54.840 0.154 0.000 0.906 216 L CB 0.780 42.906 42.059 0.112 0.000 1.228 216 L HN 0.056 nan 8.230 nan 0.000 0.517 217 C N 0.796 120.248 119.300 0.254 0.000 2.604 217 C HA 0.350 4.687 4.460 -0.205 0.000 0.396 217 C C 0.065 175.353 174.990 0.497 0.000 1.282 217 C CA -0.307 58.907 59.018 0.326 0.000 2.292 217 C CB -0.358 27.594 27.740 0.353 0.000 2.633 217 C HN 0.394 nan 8.230 nan 0.000 0.620 218 Y N -1.150 119.316 120.300 0.276 0.000 2.638 218 Y HA 0.693 5.119 4.550 -0.207 0.000 0.335 218 Y C -1.187 174.831 175.900 0.198 0.000 1.155 218 Y CA -1.335 56.919 58.100 0.257 0.000 1.046 218 Y CB 0.499 39.072 38.460 0.188 0.000 1.303 218 Y HN 0.254 nan 8.280 nan 0.000 0.460 219 V N 2.873 122.942 119.914 0.259 0.000 2.383 219 V HA 0.672 4.670 4.120 -0.205 0.000 0.275 219 V C 0.447 176.613 176.094 0.120 0.000 1.036 219 V CA -0.384 61.981 62.300 0.107 0.000 0.889 219 V CB 0.661 32.581 31.823 0.162 0.000 0.985 219 V HN 1.010 nan 8.190 nan 0.000 0.459 220 A N 4.416 127.228 122.820 -0.013 0.000 2.511 220 A HA 0.308 4.506 4.320 -0.205 0.000 0.242 220 A C 0.979 178.516 177.584 -0.078 0.000 1.069 220 A CA -0.155 51.843 52.037 -0.065 0.000 0.763 220 A CB 0.195 19.075 19.000 -0.201 0.000 1.001 220 A HN 0.893 nan 8.150 nan 0.000 0.498 221 L N 1.316 122.501 121.223 -0.063 0.000 2.056 221 L HA 0.034 4.251 4.340 -0.205 0.000 0.207 221 L C 0.626 177.426 176.870 -0.116 0.000 1.078 221 L CA 2.040 56.825 54.840 -0.092 0.000 0.749 221 L CB -0.047 41.976 42.059 -0.060 0.000 0.901 221 L HN 0.778 nan 8.230 nan 0.000 0.433 222 D N -1.603 118.739 120.400 -0.097 0.000 2.473 222 D HA 0.011 4.528 4.640 -0.205 0.000 0.253 222 D C 0.540 176.812 176.300 -0.046 0.000 1.233 222 D CA -0.441 53.517 54.000 -0.071 0.000 0.908 222 D CB 1.083 41.842 40.800 -0.067 0.000 1.170 222 D HN 0.077 nan 8.370 nan 0.000 0.558 223 F N 3.513 123.392 119.950 -0.120 0.000 2.102 223 F HA -0.203 4.199 4.527 -0.208 0.000 0.298 223 F C 2.028 177.841 175.800 0.021 0.000 1.105 223 F CA 1.638 59.614 58.000 -0.040 0.000 1.239 223 F CB 0.136 39.151 39.000 0.024 0.000 0.991 223 F HN 0.325 nan 8.300 nan 0.000 0.474 224 E N 0.001 120.155 120.200 -0.078 0.000 2.106 224 E HA -0.197 4.030 4.350 -0.205 0.000 0.192 224 E C 1.930 178.431 176.600 -0.164 0.000 0.984 224 E CA 1.250 57.557 56.400 -0.155 0.000 0.806 224 E CB -0.906 28.792 29.700 -0.004 0.000 0.750 224 E HN 0.677 nan 8.360 nan 0.000 0.458 225 N N -0.036 118.587 118.700 -0.128 0.000 2.120 225 N HA -0.182 4.435 4.740 -0.205 0.000 0.188 225 N C 2.045 177.455 175.510 -0.167 0.000 1.024 225 N CA 1.193 54.171 53.050 -0.119 0.000 0.852 225 N CB -0.155 38.276 38.487 -0.094 0.000 1.003 225 N HN 0.139 nan 8.380 nan 0.000 0.424 226 E N 0.817 120.852 120.200 -0.275 0.000 2.110 226 E HA -0.092 4.136 4.350 -0.205 0.000 0.193 226 E C 1.900 178.351 176.600 -0.248 0.000 0.988 226 E CA 1.043 57.176 56.400 -0.445 0.000 0.804 226 E CB 0.071 29.181 29.700 -0.983 0.000 0.745 226 E HN 0.204 nan 8.360 nan 0.000 0.458 227 M N -0.203 119.281 119.600 -0.194 0.000 2.117 227 M HA -0.092 4.265 4.480 -0.205 0.000 0.262 227 M C 2.300 178.585 176.300 -0.026 0.000 1.065 227 M CA 1.606 56.882 55.300 -0.041 0.000 1.114 227 M CB -1.166 31.269 32.600 -0.274 0.000 1.361 227 M HN 0.240 nan 8.290 nan 0.000 0.408 228 A N -0.140 122.639 122.820 -0.069 0.000 1.902 228 A HA -0.145 4.053 4.320 -0.205 0.000 0.217 228 A C 2.299 179.873 177.584 -0.017 0.000 1.181 228 A CA 2.300 54.313 52.037 -0.039 0.000 0.623 228 A CB -1.165 17.807 19.000 -0.047 0.000 0.818 228 A HN 0.483 nan 8.150 nan 0.000 0.443 229 T N 0.432 114.971 114.554 -0.026 0.000 2.684 229 T HA -0.091 4.136 4.350 -0.205 0.000 0.267 229 T C 2.162 176.885 174.700 0.039 0.000 1.036 229 T CA 1.763 63.860 62.100 -0.006 0.000 1.148 229 T CB -0.459 68.392 68.868 -0.029 0.000 0.863 229 T HN 0.610 nan 8.240 nan 0.000 0.436 230 A N 1.007 123.880 122.820 0.089 0.000 2.015 230 A HA 0.288 4.486 4.320 -0.205 0.000 0.219 230 A C 2.510 180.137 177.584 0.072 0.000 1.163 230 A CA 1.567 53.684 52.037 0.135 0.000 0.646 230 A CB -0.745 18.412 19.000 0.263 0.000 0.806 230 A HN 0.510 nan 8.150 nan 0.000 0.448 231 A N -0.189 122.657 122.820 0.042 0.000 2.021 231 A HA 0.098 4.295 4.320 -0.205 0.000 0.216 231 A C 2.209 179.801 177.584 0.013 0.000 1.163 231 A CA 1.670 53.718 52.037 0.018 0.000 0.676 231 A CB -0.437 18.565 19.000 0.003 0.000 0.818 231 A HN 0.936 nan 8.150 nan 0.000 0.453 232 S N -1.985 113.723 115.700 0.014 0.000 2.540 232 S HA 0.402 4.749 4.470 -0.205 0.000 0.218 232 S C 0.369 174.976 174.600 0.012 0.000 0.977 232 S CA 0.537 58.742 58.200 0.008 0.000 0.918 232 S CB -0.150 63.051 63.200 0.001 0.000 0.806 232 S HN 0.613 nan 8.310 nan 0.000 0.496 233 S N 0.320 116.033 115.700 0.022 0.000 2.587 233 S HA 0.498 4.845 4.470 -0.205 0.000 0.269 233 S C -0.060 174.563 174.600 0.038 0.000 1.154 233 S CA 0.090 58.305 58.200 0.025 0.000 0.824 233 S CB 1.068 64.280 63.200 0.021 0.000 1.118 233 S HN 0.526 nan 8.310 nan 0.000 0.462 234 S N 1.067 116.789 115.700 0.038 0.000 2.575 234 S HA 0.140 4.487 4.470 -0.205 0.000 0.237 234 S C 1.511 176.144 174.600 0.056 0.000 0.975 234 S CA 0.678 58.907 58.200 0.049 0.000 0.960 234 S CB -0.265 62.960 63.200 0.042 0.000 0.822 234 S HN 1.104 nan 8.310 nan 0.000 0.472 235 S N 1.616 117.346 115.700 0.050 0.000 2.442 235 S HA 0.089 4.437 4.470 -0.205 0.000 0.236 235 S C 1.430 176.066 174.600 0.061 0.000 1.007 235 S CA 0.517 58.743 58.200 0.043 0.000 0.965 235 S CB -0.698 62.517 63.200 0.026 0.000 0.773 235 S HN 0.625 nan 8.310 nan 0.000 0.504 236 L N 0.700 121.985 121.223 0.103 0.000 2.607 236 L HA 0.319 4.536 4.340 -0.205 0.000 0.228 236 L C 0.492 177.471 176.870 0.181 0.000 1.123 236 L CA -0.034 54.905 54.840 0.166 0.000 0.890 236 L CB -0.168 42.057 42.059 0.278 0.000 1.103 236 L HN 0.300 nan 8.230 nan 0.000 0.468 237 E N 1.638 121.916 120.200 0.131 0.000 2.354 237 E HA 0.236 4.463 4.350 -0.205 0.000 0.269 237 E C -0.375 176.292 176.600 0.112 0.000 1.036 237 E CA -0.023 56.450 56.400 0.122 0.000 0.876 237 E CB 0.998 30.756 29.700 0.097 0.000 1.009 237 E HN -0.034 nan 8.360 nan 0.000 0.416 238 K N 1.222 121.695 120.400 0.122 0.000 2.375 238 K HA 0.420 4.617 4.320 -0.205 0.000 0.249 238 K C -0.711 175.962 176.600 0.121 0.000 0.942 238 K CA -0.764 55.592 56.287 0.115 0.000 0.806 238 K CB 2.307 34.885 32.500 0.130 0.000 1.227 238 K HN 0.296 nan 8.250 nan 0.000 0.430 239 S N 0.943 116.709 115.700 0.111 0.000 2.578 239 S HA 0.486 4.833 4.470 -0.205 0.000 0.283 239 S C -1.274 173.422 174.600 0.161 0.000 1.195 239 S CA -0.526 57.743 58.200 0.116 0.000 1.050 239 S CB 0.540 63.784 63.200 0.073 0.000 1.012 239 S HN 0.493 nan 8.310 nan 0.000 0.511 240 Y N 1.602 121.908 120.300 0.009 0.000 2.386 240 Y HA 0.370 4.795 4.550 -0.208 0.000 0.334 240 Y C -0.572 175.323 175.900 -0.008 0.000 1.002 240 Y CA -0.630 57.469 58.100 -0.002 0.000 1.068 240 Y CB 1.133 39.585 38.460 -0.014 0.000 1.203 240 Y HN 0.669 nan 8.280 nan 0.000 0.443 241 E N 6.626 126.529 120.200 -0.496 0.000 2.167 241 E HA 0.361 4.588 4.350 -0.205 0.000 0.284 241 E C -0.975 175.393 176.600 -0.387 0.000 1.016 241 E CA -0.460 55.748 56.400 -0.320 0.000 0.817 241 E CB 0.723 30.283 29.700 -0.233 0.000 1.080 241 E HN 0.768 nan 8.360 nan 0.000 0.397 242 L N 5.698 126.874 121.223 -0.078 0.000 2.472 242 L HA 0.133 4.351 4.340 -0.205 0.000 0.260 242 L C -1.476 175.388 176.870 -0.010 0.000 1.209 242 L CA -1.516 53.352 54.840 0.048 0.000 0.817 242 L CB 0.165 42.284 42.059 0.100 0.000 1.106 242 L HN 0.571 nan 8.230 nan 0.000 0.479 243 P HA -0.149 nan 4.420 nan 0.000 0.221 243 P C 0.315 177.617 177.300 0.002 0.000 1.145 243 P CA 1.005 64.112 63.100 0.012 0.000 0.795 243 P CB 0.001 31.725 31.700 0.040 0.000 0.775 244 D N -1.983 118.422 120.400 0.008 0.000 2.358 244 D HA 0.137 4.655 4.640 -0.205 0.000 0.224 244 D C 1.402 177.697 176.300 -0.008 0.000 1.123 244 D CA 0.149 54.149 54.000 0.001 0.000 0.833 244 D CB -0.681 40.121 40.800 0.004 0.000 0.946 244 D HN 0.189 nan 8.370 nan 0.000 0.505 245 G N 0.395 109.184 108.800 -0.018 0.000 2.363 245 G HA2 -0.354 3.483 3.960 -0.205 0.000 0.238 245 G HA3 -0.354 3.483 3.960 -0.205 0.000 0.238 245 G C 0.239 175.126 174.900 -0.021 0.000 1.062 245 G CA 0.212 45.297 45.100 -0.024 0.000 0.629 245 G HN 0.625 nan 8.290 nan 0.000 0.514 246 Q N 0.912 120.706 119.800 -0.010 0.000 2.315 246 Q HA 0.391 4.608 4.340 -0.205 0.000 0.289 246 Q C -0.180 175.819 176.000 -0.001 0.000 1.044 246 Q CA 0.204 56.006 55.803 -0.002 0.000 0.920 246 Q CB 0.628 29.366 28.738 0.001 0.000 1.214 246 Q HN 0.344 nan 8.270 nan 0.000 0.392 247 V N 6.882 126.801 119.914 0.008 0.000 2.398 247 V HA 0.408 4.405 4.120 -0.205 0.000 0.286 247 V C 0.232 176.351 176.094 0.041 0.000 1.026 247 V CA -0.510 61.801 62.300 0.018 0.000 0.868 247 V CB 1.010 32.842 31.823 0.016 0.000 0.982 247 V HN 0.728 nan 8.190 nan 0.000 0.443 248 I N 1.491 122.089 120.570 0.046 0.000 3.023 248 I HA 0.787 4.835 4.170 -0.205 0.000 0.312 248 I C -0.202 175.977 176.117 0.103 0.000 1.056 248 I CA -0.410 60.900 61.300 0.016 0.000 1.033 248 I CB 2.545 40.337 38.000 -0.347 0.000 1.233 248 I HN 0.409 nan 8.210 nan 0.000 0.462 249 T N 4.773 119.443 114.554 0.194 0.000 2.823 249 T HA 0.602 4.829 4.350 -0.205 0.000 0.279 249 T C -0.304 174.520 174.700 0.207 0.000 0.998 249 T CA -0.330 61.882 62.100 0.186 0.000 0.994 249 T CB 1.261 70.232 68.868 0.171 0.000 0.960 249 T HN 0.310 nan 8.240 nan 0.000 0.448 250 I N 2.919 123.576 120.570 0.145 0.000 2.418 250 I HA 0.474 4.521 4.170 -0.205 0.000 0.287 250 I C 0.834 177.013 176.117 0.105 0.000 1.008 250 I CA -0.480 60.889 61.300 0.116 0.000 1.104 250 I CB 0.950 38.992 38.000 0.070 0.000 1.264 250 I HN 0.793 nan 8.210 nan 0.000 0.438 251 G N 5.222 114.065 108.800 0.072 0.000 3.374 251 G HA2 0.012 3.850 3.960 -0.205 0.000 0.200 251 G HA3 0.012 3.850 3.960 -0.205 0.000 0.200 251 G C 0.799 175.698 174.900 -0.001 0.000 1.801 251 G CA 0.120 45.261 45.100 0.069 0.000 0.842 251 G HN 0.578 nan 8.290 nan 0.000 0.688 252 N N 0.965 119.592 118.700 -0.121 0.000 2.520 252 N HA -0.018 4.599 4.740 -0.205 0.000 0.185 252 N C 1.398 176.464 175.510 -0.740 0.000 1.068 252 N CA 1.356 54.083 53.050 -0.537 0.000 0.911 252 N CB -0.236 37.986 38.487 -0.441 0.000 0.961 252 N HN 0.461 nan 8.380 nan 0.000 0.446 253 E N 0.761 120.758 120.200 -0.337 0.000 2.209 253 E HA -0.076 4.152 4.350 -0.205 0.000 0.196 253 E C 1.778 178.245 176.600 -0.223 0.000 0.993 253 E CA 0.786 57.032 56.400 -0.257 0.000 0.819 253 E CB -0.160 29.453 29.700 -0.145 0.000 0.745 253 E HN 0.444 nan 8.360 nan 0.000 0.477 254 R N -0.263 120.140 120.500 -0.162 0.000 2.117 254 R HA -0.177 4.040 4.340 -0.205 0.000 0.243 254 R C 1.825 178.033 176.300 -0.152 0.000 1.143 254 R CA 1.903 57.987 56.100 -0.028 0.000 0.968 254 R CB -0.369 30.066 30.300 0.225 0.000 0.863 254 R HN 0.425 nan 8.270 nan 0.000 0.444 255 F N -2.252 117.535 119.950 -0.272 0.000 2.712 255 F HA 0.368 4.780 4.527 -0.192 0.000 0.297 255 F C 1.750 177.551 175.800 0.003 0.000 1.114 255 F CA -0.631 57.167 58.000 -0.337 0.000 1.305 255 F CB -0.143 38.484 39.000 -0.622 0.000 1.086 255 F HN -0.344 nan 8.300 nan 0.000 0.599 256 R N 0.305 120.686 120.500 -0.198 0.000 2.120 256 R HA -0.118 4.099 4.340 -0.205 0.000 0.234 256 R C 2.316 178.770 176.300 0.257 0.000 1.123 256 R CA 1.402 57.611 56.100 0.181 0.000 0.975 256 R CB -0.941 29.389 30.300 0.049 0.000 0.866 256 R HN 0.590 nan 8.270 nan 0.000 0.446 257 C N 1.498 120.849 119.300 0.086 0.000 2.455 257 C HA 0.020 4.358 4.460 -0.205 0.000 0.281 257 C C -0.580 174.420 174.990 0.017 0.000 1.237 257 C CA 0.648 59.755 59.018 0.148 0.000 1.726 257 C CB -0.888 26.867 27.740 0.024 0.000 2.068 257 C HN 0.294 nan 8.230 nan 0.000 0.466 258 P HA 0.009 nan 4.420 nan 0.000 0.241 258 P C 1.004 178.193 177.300 -0.185 0.000 1.191 258 P CA 1.172 64.023 63.100 -0.416 0.000 0.771 258 P CB -0.246 30.851 31.700 -1.005 0.000 0.929 259 E N 0.791 120.931 120.200 -0.101 0.000 2.160 259 E HA -0.143 4.084 4.350 -0.205 0.000 0.195 259 E C 1.657 177.999 176.600 -0.431 0.000 0.991 259 E CA 1.663 57.935 56.400 -0.212 0.000 0.810 259 E CB -1.291 28.182 29.700 -0.379 0.000 0.742 259 E HN 0.083 nan 8.360 nan 0.000 0.466 260 T N 0.909 115.236 114.554 -0.379 0.000 2.760 260 T HA -0.196 4.032 4.350 -0.205 0.000 0.269 260 T C 1.712 176.197 174.700 -0.358 0.000 1.047 260 T CA 1.422 63.257 62.100 -0.441 0.000 1.139 260 T CB -0.283 68.399 68.868 -0.310 0.000 0.855 260 T HN 0.187 nan 8.240 nan 0.000 0.471 261 L N -0.595 120.444 121.223 -0.306 0.000 2.079 261 L HA -0.072 4.145 4.340 -0.205 0.000 0.210 261 L C 2.112 178.681 176.870 -0.502 0.000 1.081 261 L CA 1.478 56.079 54.840 -0.397 0.000 0.752 261 L CB -0.516 41.250 42.059 -0.488 0.000 0.896 261 L HN 0.276 nan 8.230 nan 0.000 0.433 262 F N -0.977 118.825 119.950 -0.247 0.000 2.569 262 F HA 0.044 4.447 4.527 -0.207 0.000 0.295 262 F C 1.072 176.737 175.800 -0.224 0.000 1.115 262 F CA 0.299 58.179 58.000 -0.201 0.000 1.450 262 F CB 0.171 38.959 39.000 -0.354 0.000 1.107 262 F HN 0.029 nan 8.300 nan 0.000 0.563 263 Q N 0.435 120.047 119.800 -0.314 0.000 2.932 263 Q HA 0.202 4.419 4.340 -0.205 0.000 0.248 263 Q C -2.186 173.556 176.000 -0.430 0.000 0.982 263 Q CA -1.576 53.961 55.803 -0.443 0.000 0.730 263 Q CB 1.270 29.491 28.738 -0.863 0.000 1.249 263 Q HN 0.023 nan 8.270 nan 0.000 0.476 264 P HA -0.174 nan 4.420 nan 0.000 0.228 264 P C 1.301 178.532 177.300 -0.115 0.000 1.151 264 P CA 1.106 64.095 63.100 -0.184 0.000 0.770 264 P CB 0.251 31.870 31.700 -0.135 0.000 0.786 265 S N -1.891 113.772 115.700 -0.063 0.000 2.442 265 S HA -0.162 4.185 4.470 -0.205 0.000 0.236 265 S C 1.685 176.358 174.600 0.123 0.000 1.007 265 S CA 0.750 58.968 58.200 0.031 0.000 0.965 265 S CB -1.520 61.720 63.200 0.066 0.000 0.773 265 S HN -0.049 nan 8.310 nan 0.000 0.504 266 F N 2.735 122.553 119.950 -0.219 0.000 2.202 266 F HA 0.072 4.479 4.527 -0.199 0.000 0.301 266 F C 1.894 177.453 175.800 -0.403 0.000 1.082 266 F CA 0.241 58.048 58.000 -0.321 0.000 1.313 266 F CB -0.587 38.098 39.000 -0.525 0.000 1.024 266 F HN 0.417 nan 8.300 nan 0.000 0.495 267 I N -3.487 116.979 120.570 -0.173 0.000 3.914 267 I HA 0.520 4.567 4.170 -0.205 0.000 0.333 267 I C 1.249 177.334 176.117 -0.053 0.000 1.449 267 I CA 0.472 61.685 61.300 -0.144 0.000 1.135 267 I CB -0.222 37.669 38.000 -0.181 0.000 1.073 267 I HN 0.124 nan 8.210 nan 0.000 0.401 268 G N 1.850 110.633 108.800 -0.027 0.000 2.147 268 G HA2 -0.268 3.570 3.960 -0.205 0.000 0.244 268 G HA3 -0.268 3.570 3.960 -0.205 0.000 0.244 268 G C -0.011 174.875 174.900 -0.022 0.000 1.005 268 G CA 0.173 45.266 45.100 -0.012 0.000 0.713 268 G HN 0.473 nan 8.290 nan 0.000 0.515 269 M N 0.035 119.612 119.600 -0.038 0.000 2.264 269 M HA 0.551 4.908 4.480 -0.205 0.000 0.352 269 M C 1.376 177.654 176.300 -0.038 0.000 1.173 269 M CA 0.507 55.781 55.300 -0.043 0.000 1.075 269 M CB 1.218 33.780 32.600 -0.063 0.000 1.621 269 M HN 0.382 nan 8.290 nan 0.000 0.457 270 E N 1.865 122.045 120.200 -0.032 0.000 2.502 270 E HA 0.030 4.257 4.350 -0.205 0.000 0.194 270 E C 0.794 177.372 176.600 -0.036 0.000 1.062 270 E CA 0.357 56.740 56.400 -0.027 0.000 0.867 270 E CB 0.115 29.803 29.700 -0.020 0.000 0.888 270 E HN 0.667 nan 8.360 nan 0.000 0.510 271 S N -0.142 115.528 115.700 -0.050 0.000 2.573 271 S HA 0.497 4.844 4.470 -0.205 0.000 0.277 271 S C 0.706 175.266 174.600 -0.066 0.000 1.346 271 S CA 0.092 58.256 58.200 -0.061 0.000 1.034 271 S CB 0.741 63.895 63.200 -0.076 0.000 0.879 271 S HN 0.909 nan 8.310 nan 0.000 0.528 272 A N 3.350 126.127 122.820 -0.072 0.000 2.483 272 A HA 0.534 4.732 4.320 -0.205 0.000 0.238 272 A C 0.967 178.487 177.584 -0.106 0.000 1.070 272 A CA 0.081 52.063 52.037 -0.091 0.000 0.770 272 A CB -0.570 18.370 19.000 -0.101 0.000 1.008 272 A HN 1.136 nan 8.150 nan 0.000 0.497 273 G N -0.037 108.708 108.800 -0.092 0.000 2.651 273 G HA2 0.380 4.217 3.960 -0.205 0.000 0.260 273 G HA3 0.380 4.217 3.960 -0.205 0.000 0.260 273 G C 1.022 175.869 174.900 -0.089 0.000 1.216 273 G CA -0.029 45.046 45.100 -0.041 0.000 0.913 273 G HN 1.172 nan 8.290 nan 0.000 0.535 274 I N -1.612 118.877 120.570 -0.134 0.000 2.454 274 I HA -0.167 3.880 4.170 -0.205 0.000 0.254 274 I C 2.265 178.381 176.117 -0.002 0.000 1.156 274 I CA 1.642 62.849 61.300 -0.155 0.000 1.433 274 I CB -0.583 37.229 38.000 -0.314 0.000 1.082 274 I HN 0.614 nan 8.210 nan 0.000 0.432 275 H N 1.106 120.159 119.070 -0.027 0.000 2.357 275 H HA -0.028 4.405 4.556 -0.204 0.000 0.301 275 H C 1.698 177.095 175.328 0.115 0.000 1.082 275 H CA 1.611 57.733 56.048 0.122 0.000 1.342 275 H CB -0.884 29.026 29.762 0.247 0.000 1.389 275 H HN 0.523 nan 8.280 nan 0.000 0.511 276 E N 0.688 120.547 120.200 -0.569 0.000 2.107 276 E HA -0.107 4.121 4.350 -0.205 0.000 0.191 276 E C 2.199 178.753 176.600 -0.077 0.000 0.982 276 E CA 1.727 57.936 56.400 -0.318 0.000 0.809 276 E CB 0.183 29.623 29.700 -0.433 0.000 0.756 276 E HN 0.723 nan 8.360 nan 0.000 0.459 277 T N -1.803 112.691 114.554 -0.100 0.000 2.821 277 T HA -0.107 4.120 4.350 -0.205 0.000 0.267 277 T C 1.986 176.663 174.700 -0.037 0.000 1.046 277 T CA 1.577 63.639 62.100 -0.064 0.000 1.139 277 T CB -0.567 68.253 68.868 -0.079 0.000 0.871 277 T HN -0.035 nan 8.240 nan 0.000 0.454 278 T N 0.926 115.478 114.554 -0.003 0.000 2.708 278 T HA -0.079 4.148 4.350 -0.205 0.000 0.266 278 T C 1.491 176.199 174.700 0.014 0.000 1.037 278 T CA 1.562 63.669 62.100 0.012 0.000 1.146 278 T CB -0.658 68.249 68.868 0.065 0.000 0.865 278 T HN 0.553 nan 8.240 nan 0.000 0.435 279 Y N 2.765 123.050 120.300 -0.025 0.000 2.145 279 Y HA -0.154 4.273 4.550 -0.205 0.000 0.286 279 Y C 2.191 178.071 175.900 -0.034 0.000 1.145 279 Y CA 1.242 59.342 58.100 0.000 0.000 1.148 279 Y CB -0.552 37.939 38.460 0.051 0.000 0.981 279 Y HN 0.092 nan 8.280 nan 0.000 0.507 280 N N -0.341 118.272 118.700 -0.145 0.000 2.166 280 N HA -0.191 4.426 4.740 -0.205 0.000 0.186 280 N C 2.174 177.557 175.510 -0.211 0.000 1.019 280 N CA 1.389 54.314 53.050 -0.209 0.000 0.856 280 N CB -0.743 37.699 38.487 -0.074 0.000 0.993 280 N HN 0.400 nan 8.380 nan 0.000 0.426 281 S N 0.744 116.347 115.700 -0.162 0.000 2.348 281 S HA -0.000 4.347 4.470 -0.205 0.000 0.221 281 S C 2.018 176.499 174.600 -0.198 0.000 1.033 281 S CA 0.698 58.807 58.200 -0.151 0.000 1.010 281 S CB -0.273 62.858 63.200 -0.116 0.000 0.891 281 S HN 0.223 nan 8.310 nan 0.000 0.442 282 I N 1.417 121.832 120.570 -0.259 0.000 2.208 282 I HA -0.210 3.838 4.170 -0.205 0.000 0.245 282 I C 2.408 178.354 176.117 -0.285 0.000 1.097 282 I CA 1.149 62.257 61.300 -0.319 0.000 1.363 282 I CB -0.294 37.393 38.000 -0.521 0.000 1.051 282 I HN 0.357 nan 8.210 nan 0.000 0.413 283 M N 0.202 119.582 119.600 -0.367 0.000 2.358 283 M HA -0.161 4.196 4.480 -0.205 0.000 0.264 283 M C 1.959 178.163 176.300 -0.160 0.000 1.064 283 M CA 1.558 56.680 55.300 -0.297 0.000 1.093 283 M CB -0.973 31.357 32.600 -0.449 0.000 1.401 283 M HN 0.184 nan 8.290 nan 0.000 0.440 284 K N -0.817 119.502 120.400 -0.136 0.000 2.486 284 K HA 0.018 4.216 4.320 -0.205 0.000 0.194 284 K C 0.464 177.076 176.600 0.021 0.000 1.033 284 K CA 0.013 56.274 56.287 -0.043 0.000 1.004 284 K CB 0.016 32.498 32.500 -0.031 0.000 0.798 284 K HN 0.293 nan 8.250 nan 0.000 0.495 285 C N 1.372 120.647 119.300 -0.041 0.000 2.351 285 C HA 0.174 4.511 4.460 -0.205 0.000 0.359 285 C C 0.515 175.490 174.990 -0.025 0.000 1.193 285 C CA -1.570 57.446 59.018 -0.004 0.000 2.270 285 C CB 0.840 28.535 27.740 -0.075 0.000 2.369 285 C HN 0.403 nan 8.230 nan 0.000 0.553 286 D N 0.785 121.167 120.400 -0.030 0.000 2.583 286 D HA -0.039 4.478 4.640 -0.205 0.000 0.232 286 D C 1.201 177.466 176.300 -0.058 0.000 1.128 286 D CA 0.431 54.394 54.000 -0.063 0.000 0.859 286 D CB 0.507 41.240 40.800 -0.112 0.000 1.169 286 D HN 0.480 nan 8.370 nan 0.000 0.481 287 I N 2.834 123.383 120.570 -0.035 0.000 2.181 287 I HA -0.340 3.707 4.170 -0.205 0.000 0.247 287 I C 1.535 177.649 176.117 -0.006 0.000 1.081 287 I CA 1.253 62.547 61.300 -0.010 0.000 1.340 287 I CB -0.145 37.855 38.000 -0.001 0.000 1.036 287 I HN 0.412 nan 8.210 nan 0.000 0.417 288 D N 0.527 120.909 120.400 -0.030 0.000 2.348 288 D HA -0.055 4.462 4.640 -0.205 0.000 0.216 288 D C 1.806 178.092 176.300 -0.024 0.000 0.970 288 D CA 1.023 55.010 54.000 -0.022 0.000 0.889 288 D CB 0.054 40.832 40.800 -0.037 0.000 0.912 288 D HN 0.617 nan 8.370 nan 0.000 0.524 289 I N -3.213 117.322 120.570 -0.058 0.000 4.139 289 I HA 0.220 4.267 4.170 -0.205 0.000 0.335 289 I C 1.726 177.855 176.117 0.020 0.000 1.327 289 I CA -0.319 60.961 61.300 -0.033 0.000 1.112 289 I CB 0.355 38.248 38.000 -0.179 0.000 1.058 289 I HN -0.309 nan 8.210 nan 0.000 0.396 290 R N 2.076 122.587 120.500 0.018 0.000 2.105 290 R HA -0.082 4.136 4.340 -0.205 0.000 0.239 290 R C 2.001 178.395 176.300 0.157 0.000 1.135 290 R CA 1.626 57.742 56.100 0.026 0.000 0.967 290 R CB -0.353 29.988 30.300 0.068 0.000 0.861 290 R HN 0.419 nan 8.270 nan 0.000 0.442 291 K N 0.533 121.051 120.400 0.197 0.000 2.032 291 K HA -0.170 4.027 4.320 -0.205 0.000 0.209 291 K C 1.630 178.343 176.600 0.188 0.000 1.048 291 K CA 1.667 58.090 56.287 0.226 0.000 0.927 291 K CB -0.153 32.430 32.500 0.138 0.000 0.712 291 K HN 0.177 nan 8.250 nan 0.000 0.441 292 D N 1.046 121.527 120.400 0.136 0.000 2.123 292 D HA -0.147 4.370 4.640 -0.205 0.000 0.196 292 D C 2.013 178.373 176.300 0.100 0.000 0.992 292 D CA 1.016 55.088 54.000 0.120 0.000 0.833 292 D CB -0.221 40.662 40.800 0.139 0.000 0.954 292 D HN 0.155 nan 8.370 nan 0.000 0.455 293 L N -0.386 120.872 121.223 0.058 0.000 2.017 293 L HA -0.199 4.018 4.340 -0.205 0.000 0.208 293 L C 2.504 179.373 176.870 -0.002 0.000 1.073 293 L CA 1.047 55.876 54.840 -0.019 0.000 0.745 293 L CB -0.631 41.346 42.059 -0.135 0.000 0.894 293 L HN 0.030 nan 8.230 nan 0.000 0.432 294 Y N 0.192 120.525 120.300 0.056 0.000 2.207 294 Y HA -0.210 4.217 4.550 -0.205 0.000 0.287 294 Y C 2.526 178.460 175.900 0.056 0.000 1.156 294 Y CA 1.161 59.298 58.100 0.062 0.000 1.182 294 Y CB -0.570 37.930 38.460 0.067 0.000 0.979 294 Y HN 0.139 nan 8.280 nan 0.000 0.521 295 A N -0.822 122.125 122.820 0.212 0.000 2.238 295 A HA 0.046 4.244 4.320 -0.205 0.000 0.208 295 A C 0.694 178.337 177.584 0.098 0.000 1.177 295 A CA 0.476 52.594 52.037 0.135 0.000 0.804 295 A CB -0.246 18.821 19.000 0.110 0.000 0.823 295 A HN 0.373 nan 8.150 nan 0.000 0.482 296 N N 1.137 119.891 118.700 0.090 0.000 2.664 296 N HA 0.069 4.687 4.740 -0.205 0.000 0.287 296 N C -1.424 174.117 175.510 0.052 0.000 1.869 296 N CA -0.195 52.893 53.050 0.064 0.000 0.832 296 N CB 0.393 38.913 38.487 0.055 0.000 1.293 296 N HN 0.240 nan 8.380 nan 0.000 0.498 297 N N 1.262 120.000 118.700 0.063 0.000 2.439 297 N HA 0.151 4.769 4.740 -0.205 0.000 0.243 297 N C -0.398 175.142 175.510 0.050 0.000 1.088 297 N CA 0.112 53.195 53.050 0.055 0.000 0.940 297 N CB 1.804 40.341 38.487 0.084 0.000 1.180 297 N HN -0.014 nan 8.380 nan 0.000 0.505 298 V N 4.389 124.324 119.914 0.035 0.000 2.394 298 V HA 0.347 4.344 4.120 -0.205 0.000 0.282 298 V C 0.637 176.749 176.094 0.030 0.000 1.031 298 V CA -0.596 61.723 62.300 0.033 0.000 0.881 298 V CB 1.484 33.321 31.823 0.024 0.000 0.982 298 V HN 0.469 nan 8.190 nan 0.000 0.451 299 M N 4.750 124.371 119.600 0.036 0.000 2.233 299 M HA 0.576 4.934 4.480 -0.205 0.000 0.355 299 M C -0.004 176.309 176.300 0.022 0.000 1.191 299 M CA 0.040 55.359 55.300 0.033 0.000 1.101 299 M CB 1.360 33.987 32.600 0.045 0.000 1.592 299 M HN 0.759 nan 8.290 nan 0.000 0.461 300 S N 1.020 116.729 115.700 0.015 0.000 2.618 300 S HA 0.968 5.315 4.470 -0.205 0.000 0.277 300 S C -0.243 174.357 174.600 0.001 0.000 1.138 300 S CA -0.167 58.038 58.200 0.009 0.000 0.844 300 S CB 2.144 65.351 63.200 0.012 0.000 1.127 300 S HN 1.391 nan 8.310 nan 0.000 0.474 301 G N -0.171 108.622 108.800 -0.012 0.000 2.692 301 G HA2 0.305 4.142 3.960 -0.205 0.000 0.686 301 G HA3 0.305 4.142 3.960 -0.205 0.000 0.686 301 G C 0.645 175.506 174.900 -0.065 0.000 1.243 301 G CA -0.125 44.960 45.100 -0.026 0.000 0.782 301 G HN 1.756 nan 8.290 nan 0.000 0.625 302 G N -0.885 107.860 108.800 -0.091 0.000 2.443 302 G HA2 0.109 3.946 3.960 -0.205 0.000 0.219 302 G HA3 0.109 3.946 3.960 -0.205 0.000 0.219 302 G C 1.639 176.452 174.900 -0.146 0.000 1.131 302 G CA 2.157 47.171 45.100 -0.145 0.000 0.775 302 G HN 1.254 nan 8.290 nan 0.000 0.547 303 T N 0.717 115.231 114.554 -0.067 0.000 3.118 303 T HA -0.021 4.206 4.350 -0.205 0.000 0.260 303 T C 2.442 177.193 174.700 0.085 0.000 1.139 303 T CA 1.428 63.535 62.100 0.012 0.000 1.085 303 T CB -0.134 68.776 68.868 0.070 0.000 0.934 303 T HN 0.520 nan 8.240 nan 0.000 0.518 304 T N -0.493 114.072 114.554 0.020 0.000 3.169 304 T HA 0.177 4.404 4.350 -0.205 0.000 0.250 304 T C 1.694 176.409 174.700 0.025 0.000 1.111 304 T CA -0.068 62.071 62.100 0.064 0.000 1.010 304 T CB -0.322 68.570 68.868 0.040 0.000 0.984 304 T HN 0.081 nan 8.240 nan 0.000 0.537 305 M N 0.566 120.091 119.600 -0.124 0.000 2.562 305 M HA 0.199 4.557 4.480 -0.205 0.000 0.257 305 M C -0.211 176.015 176.300 -0.123 0.000 1.099 305 M CA 0.033 55.238 55.300 -0.159 0.000 1.099 305 M CB -0.986 31.471 32.600 -0.238 0.000 1.427 305 M HN 0.344 nan 8.290 nan 0.000 0.489 306 Y N 1.759 122.093 120.300 0.056 0.000 2.805 306 Y HA -0.012 4.414 4.550 -0.206 0.000 0.331 306 Y C -1.704 174.265 175.900 0.115 0.000 1.241 306 Y CA -1.625 56.534 58.100 0.099 0.000 1.546 306 Y CB -0.906 37.627 38.460 0.121 0.000 1.248 306 Y HN 0.110 nan 8.280 nan 0.000 0.559 307 P HA 0.061 nan 4.420 nan 0.000 0.266 307 P C 0.862 178.307 177.300 0.241 0.000 1.195 307 P CA 1.390 64.606 63.100 0.193 0.000 0.768 307 P CB 0.734 32.523 31.700 0.149 0.000 0.838 308 G N 2.434 111.334 108.800 0.166 0.000 2.217 308 G HA2 -0.331 3.506 3.960 -0.205 0.000 0.246 308 G HA3 -0.331 3.506 3.960 -0.205 0.000 0.246 308 G C 0.964 175.951 174.900 0.144 0.000 0.990 308 G CA 0.209 45.399 45.100 0.151 0.000 0.627 308 G HN 0.549 nan 8.290 nan 0.000 0.522 309 I N 1.164 121.851 120.570 0.195 0.000 2.286 309 I HA 0.039 4.086 4.170 -0.205 0.000 0.248 309 I C 2.956 179.184 176.117 0.185 0.000 1.115 309 I CA 2.210 63.650 61.300 0.233 0.000 1.392 309 I CB -0.216 37.950 38.000 0.276 0.000 1.065 309 I HN 0.393 nan 8.210 nan 0.000 0.418 310 A N 0.265 123.165 122.820 0.133 0.000 1.877 310 A HA -0.252 3.945 4.320 -0.205 0.000 0.216 310 A C 1.947 179.582 177.584 0.085 0.000 1.186 310 A CA 2.133 54.233 52.037 0.106 0.000 0.620 310 A CB -0.734 18.315 19.000 0.081 0.000 0.822 310 A HN 0.429 nan 8.150 nan 0.000 0.443 311 D N -0.905 119.531 120.400 0.061 0.000 2.144 311 D HA -0.130 4.387 4.640 -0.205 0.000 0.199 311 D C 2.106 178.407 176.300 0.002 0.000 0.984 311 D CA 1.470 55.488 54.000 0.030 0.000 0.834 311 D CB -0.263 40.548 40.800 0.017 0.000 0.955 311 D HN 0.390 nan 8.370 nan 0.000 0.465 312 R N 0.256 120.743 120.500 -0.021 0.000 2.075 312 R HA -0.023 4.194 4.340 -0.205 0.000 0.232 312 R C 2.107 178.361 176.300 -0.078 0.000 1.126 312 R CA 1.015 57.028 56.100 -0.144 0.000 0.963 312 R CB -0.350 29.753 30.300 -0.329 0.000 0.858 312 R HN 0.046 nan 8.270 nan 0.000 0.435 313 M N 0.211 119.873 119.600 0.103 0.000 2.086 313 M HA -0.150 4.208 4.480 -0.205 0.000 0.261 313 M C 2.207 178.586 176.300 0.131 0.000 1.067 313 M CA 1.801 57.225 55.300 0.207 0.000 1.116 313 M CB -0.914 31.829 32.600 0.238 0.000 1.348 313 M HN 0.240 nan 8.290 nan 0.000 0.407 314 Q N 0.991 120.844 119.800 0.089 0.000 2.077 314 Q HA -0.217 4.000 4.340 -0.205 0.000 0.206 314 Q C 1.979 178.005 176.000 0.043 0.000 0.989 314 Q CA 2.349 58.193 55.803 0.070 0.000 0.853 314 Q CB -0.309 28.459 28.738 0.049 0.000 0.907 314 Q HN 0.465 nan 8.270 nan 0.000 0.418 315 K N -0.619 119.785 120.400 0.008 0.000 2.026 315 K HA -0.186 4.012 4.320 -0.205 0.000 0.208 315 K C 1.799 178.390 176.600 -0.015 0.000 1.048 315 K CA 1.519 57.794 56.287 -0.020 0.000 0.929 315 K CB -0.052 32.413 32.500 -0.058 0.000 0.713 315 K HN 0.193 nan 8.250 nan 0.000 0.439 316 E N 0.880 121.073 120.200 -0.011 0.000 2.072 316 E HA -0.155 4.072 4.350 -0.205 0.000 0.191 316 E C 2.148 178.818 176.600 0.117 0.000 0.985 316 E CA 1.106 57.528 56.400 0.036 0.000 0.801 316 E CB -0.201 29.509 29.700 0.018 0.000 0.750 316 E HN 0.450 nan 8.360 nan 0.000 0.452 317 I N 1.156 121.815 120.570 0.148 0.000 2.315 317 I HA -0.211 3.836 4.170 -0.205 0.000 0.248 317 I C 2.253 178.414 176.117 0.074 0.000 1.117 317 I CA 1.128 62.529 61.300 0.168 0.000 1.404 317 I CB -0.420 37.727 38.000 0.245 0.000 1.071 317 I HN 0.045 nan 8.210 nan 0.000 0.419 318 T N 0.906 115.481 114.554 0.035 0.000 2.759 318 T HA -0.203 4.025 4.350 -0.205 0.000 0.269 318 T C 2.013 176.687 174.700 -0.044 0.000 1.042 318 T CA 1.552 63.640 62.100 -0.021 0.000 1.140 318 T CB -0.290 68.568 68.868 -0.017 0.000 0.864 318 T HN 0.501 nan 8.240 nan 0.000 0.455 319 A N 0.619 123.421 122.820 -0.030 0.000 2.014 319 A HA 0.136 4.333 4.320 -0.205 0.000 0.218 319 A C 2.221 179.748 177.584 -0.094 0.000 1.163 319 A CA 0.934 52.943 52.037 -0.047 0.000 0.652 319 A CB -0.530 18.454 19.000 -0.026 0.000 0.808 319 A HN 0.486 nan 8.150 nan 0.000 0.449 320 L N -0.969 120.173 121.223 -0.135 0.000 2.202 320 L HA 0.161 4.378 4.340 -0.205 0.000 0.205 320 L C 1.664 178.299 176.870 -0.392 0.000 1.083 320 L CA 0.274 54.901 54.840 -0.354 0.000 0.790 320 L CB -0.477 41.276 42.059 -0.511 0.000 0.942 320 L HN 0.353 nan 8.230 nan 0.000 0.452 321 A N 0.236 122.950 122.820 -0.176 0.000 2.366 321 A HA 0.383 4.581 4.320 -0.205 0.000 0.249 321 A C -2.148 175.374 177.584 -0.104 0.000 1.084 321 A CA -1.082 50.898 52.037 -0.094 0.000 0.794 321 A CB -0.574 18.228 19.000 -0.329 0.000 1.034 321 A HN -0.025 nan 8.150 nan 0.000 0.491 322 P HA -0.008 nan 4.420 nan 0.000 0.263 322 P C 0.950 178.200 177.300 -0.083 0.000 1.175 322 P CA 0.764 63.838 63.100 -0.044 0.000 0.761 322 P CB 0.559 32.250 31.700 -0.014 0.000 0.794 323 S N 0.903 116.570 115.700 -0.054 0.000 2.440 323 S HA -0.194 4.153 4.470 -0.205 0.000 0.238 323 S C 1.636 176.203 174.600 -0.055 0.000 1.010 323 S CA 1.739 59.907 58.200 -0.053 0.000 0.972 323 S CB -1.433 61.747 63.200 -0.034 0.000 0.774 323 S HN 0.641 nan 8.310 nan 0.000 0.501 324 T N -1.374 113.148 114.554 -0.054 0.000 2.978 324 T HA 0.205 4.432 4.350 -0.205 0.000 0.262 324 T C 0.693 175.353 174.700 -0.068 0.000 1.063 324 T CA 0.028 62.101 62.100 -0.046 0.000 1.140 324 T CB -0.595 68.255 68.868 -0.029 0.000 0.886 324 T HN 0.286 nan 8.240 nan 0.000 0.470 325 M N 2.439 121.967 119.600 -0.121 0.000 2.245 325 M HA 0.165 4.522 4.480 -0.205 0.000 0.335 325 M C -0.413 175.808 176.300 -0.132 0.000 1.155 325 M CA 0.341 55.532 55.300 -0.181 0.000 1.055 325 M CB 0.043 32.376 32.600 -0.444 0.000 1.670 325 M HN 0.083 nan 8.290 nan 0.000 0.447 326 K N 5.824 126.184 120.400 -0.067 0.000 2.264 326 K HA 0.464 4.662 4.320 -0.205 0.000 0.277 326 K C -1.144 175.473 176.600 0.028 0.000 1.067 326 K CA -0.134 56.146 56.287 -0.012 0.000 0.900 326 K CB 0.402 32.913 32.500 0.018 0.000 1.124 326 K HN 0.586 nan 8.250 nan 0.000 0.469 327 I N 2.880 123.467 120.570 0.029 0.000 2.441 327 I HA 0.300 4.347 4.170 -0.205 0.000 0.295 327 I C -0.337 175.832 176.117 0.087 0.000 0.994 327 I CA -0.505 60.849 61.300 0.091 0.000 1.144 327 I CB 1.491 39.537 38.000 0.076 0.000 1.314 327 I HN 0.414 nan 8.210 nan 0.000 0.445 328 K N 6.909 127.374 120.400 0.109 0.000 2.535 328 K HA 0.517 4.715 4.320 -0.205 0.000 0.250 328 K C -1.660 174.993 176.600 0.088 0.000 0.948 328 K CA -0.591 55.746 56.287 0.084 0.000 0.796 328 K CB 1.440 33.983 32.500 0.071 0.000 1.216 328 K HN 0.411 nan 8.250 nan 0.000 0.432 329 I N 5.566 126.184 120.570 0.079 0.000 2.336 329 I HA 0.330 4.377 4.170 -0.205 0.000 0.292 329 I C -0.128 176.027 176.117 0.063 0.000 0.991 329 I CA -0.872 60.475 61.300 0.078 0.000 1.227 329 I CB 0.944 38.996 38.000 0.086 0.000 1.366 329 I HN 0.535 nan 8.210 nan 0.000 0.466 330 I N 5.430 126.035 120.570 0.058 0.000 2.339 330 I HA 0.518 4.566 4.170 -0.205 0.000 0.290 330 I C 0.331 176.477 176.117 0.048 0.000 0.994 330 I CA -0.085 61.245 61.300 0.050 0.000 1.191 330 I CB 1.732 39.759 38.000 0.045 0.000 1.343 330 I HN 0.685 nan 8.210 nan 0.000 0.458 331 A N 7.639 130.486 122.820 0.046 0.000 2.763 331 A HA 0.728 4.926 4.320 -0.205 0.000 0.325 331 A C -2.597 175.008 177.584 0.035 0.000 1.209 331 A CA -1.381 50.682 52.037 0.043 0.000 0.764 331 A CB -0.189 18.842 19.000 0.052 0.000 1.120 331 A HN 0.408 nan 8.150 nan 0.000 0.463 332 P HA 0.187 nan 4.420 nan 0.000 0.268 332 P C -1.940 175.374 177.300 0.023 0.000 1.205 332 P CA -0.898 62.222 63.100 0.032 0.000 0.771 332 P CB 0.588 32.312 31.700 0.039 0.000 0.858 333 P HA -0.195 nan 4.420 nan 0.000 0.217 333 P C 0.857 178.159 177.300 0.004 0.000 1.148 333 P CA 1.477 64.586 63.100 0.015 0.000 0.828 333 P CB -0.081 31.633 31.700 0.023 0.000 0.783 334 E N -0.094 120.121 120.200 0.024 0.000 2.419 334 E HA -0.009 4.218 4.350 -0.205 0.000 0.190 334 E C 1.321 177.926 176.600 0.009 0.000 1.040 334 E CA -0.093 56.329 56.400 0.037 0.000 0.900 334 E CB -0.509 29.253 29.700 0.104 0.000 1.054 334 E HN 0.403 nan 8.360 nan 0.000 0.462 335 R N 2.225 122.713 120.500 -0.021 0.000 2.237 335 R HA -0.093 4.124 4.340 -0.205 0.000 0.219 335 R C 1.885 178.143 176.300 -0.070 0.000 1.080 335 R CA 1.141 57.231 56.100 -0.017 0.000 0.995 335 R CB -0.682 29.613 30.300 -0.007 0.000 0.875 335 R HN 0.128 nan 8.270 nan 0.000 0.462 336 K N -0.138 120.139 120.400 -0.205 0.000 2.362 336 K HA -0.132 4.065 4.320 -0.205 0.000 0.200 336 K C 0.133 176.546 176.600 -0.311 0.000 1.046 336 K CA 1.043 57.126 56.287 -0.340 0.000 0.952 336 K CB 0.026 32.201 32.500 -0.543 0.000 0.753 336 K HN 0.286 nan 8.250 nan 0.000 0.466 337 Y N 1.059 121.383 120.300 0.041 0.000 2.588 337 Y HA 0.164 4.592 4.550 -0.204 0.000 0.247 337 Y C 2.018 178.009 175.900 0.152 0.000 1.157 337 Y CA -0.561 57.593 58.100 0.090 0.000 1.215 337 Y CB 0.611 39.108 38.460 0.062 0.000 1.245 337 Y HN 0.224 nan 8.280 nan 0.000 0.534 338 S N -1.535 114.289 115.700 0.207 0.000 2.423 338 S HA -0.109 4.238 4.470 -0.205 0.000 0.231 338 S C 1.878 176.557 174.600 0.131 0.000 1.014 338 S CA 1.138 59.432 58.200 0.156 0.000 0.965 338 S CB -0.844 62.407 63.200 0.085 0.000 0.785 338 S HN 0.123 nan 8.310 nan 0.000 0.495 339 V N 0.551 120.541 119.914 0.128 0.000 2.255 339 V HA -0.176 3.821 4.120 -0.205 0.000 0.247 339 V C 2.180 178.329 176.094 0.091 0.000 1.051 339 V CA 2.164 64.513 62.300 0.081 0.000 1.018 339 V CB -1.097 30.777 31.823 0.084 0.000 0.641 339 V HN 0.757 nan 8.190 nan 0.000 0.445 340 W N 0.349 121.675 121.300 0.043 0.000 2.355 340 W HA -0.185 4.353 4.660 -0.204 0.000 0.309 340 W C 2.262 178.792 176.519 0.017 0.000 1.206 340 W CA 1.892 59.250 57.345 0.022 0.000 1.284 340 W CB -0.212 29.253 29.460 0.008 0.000 1.145 340 W HN 0.174 nan 8.180 nan 0.000 0.502 341 I N 0.446 121.193 120.570 0.295 0.000 2.226 341 I HA -0.234 3.814 4.170 -0.205 0.000 0.245 341 I C 2.642 178.720 176.117 -0.064 0.000 1.100 341 I CA 1.611 63.013 61.300 0.170 0.000 1.374 341 I CB -1.204 36.951 38.000 0.258 0.000 1.057 341 I HN 0.183 nan 8.210 nan 0.000 0.413 342 G N 0.307 109.083 108.800 -0.040 0.000 2.422 342 G HA2 -0.189 3.649 3.960 -0.205 0.000 0.218 342 G HA3 -0.189 3.649 3.960 -0.205 0.000 0.218 342 G C 1.717 176.522 174.900 -0.157 0.000 1.146 342 G CA 0.806 45.877 45.100 -0.048 0.000 0.769 342 G HN 0.502 nan 8.290 nan 0.000 0.547 343 G N 0.331 108.965 108.800 -0.276 0.000 2.418 343 G HA2 -0.188 3.649 3.960 -0.205 0.000 0.217 343 G HA3 -0.188 3.649 3.960 -0.205 0.000 0.217 343 G C 2.076 176.681 174.900 -0.491 0.000 1.158 343 G CA 1.549 46.416 45.100 -0.389 0.000 0.771 343 G HN 0.493 nan 8.290 nan 0.000 0.545 344 S N 0.149 115.457 115.700 -0.653 0.000 2.356 344 S HA -0.071 4.276 4.470 -0.205 0.000 0.223 344 S C 2.415 176.852 174.600 -0.272 0.000 1.032 344 S CA 1.172 59.045 58.200 -0.545 0.000 1.005 344 S CB -0.278 62.526 63.200 -0.660 0.000 0.867 344 S HN 0.369 nan 8.310 nan 0.000 0.449 345 I N 0.970 121.407 120.570 -0.221 0.000 2.142 345 I HA -0.156 3.891 4.170 -0.205 0.000 0.240 345 I C 2.394 178.364 176.117 -0.244 0.000 1.078 345 I CA 1.096 62.299 61.300 -0.161 0.000 1.343 345 I CB -0.461 37.474 38.000 -0.108 0.000 1.046 345 I HN 0.328 nan 8.210 nan 0.000 0.405 346 L N 1.441 122.454 121.223 -0.350 0.000 1.990 346 L HA -0.213 4.005 4.340 -0.205 0.000 0.213 346 L C 2.480 178.864 176.870 -0.810 0.000 1.072 346 L CA 2.348 56.825 54.840 -0.606 0.000 0.755 346 L CB -0.790 40.848 42.059 -0.702 0.000 0.889 346 L HN 0.218 nan 8.230 nan 0.000 0.432 347 A N -1.943 120.461 122.820 -0.693 0.000 2.178 347 A HA -0.108 4.089 4.320 -0.205 0.000 0.218 347 A C 2.269 179.872 177.584 0.031 0.000 1.157 347 A CA 1.619 53.443 52.037 -0.355 0.000 0.689 347 A CB -0.649 18.325 19.000 -0.043 0.000 0.787 347 A HN 0.562 nan 8.150 nan 0.000 0.465 348 S N -0.542 115.124 115.700 -0.057 0.000 2.501 348 S HA 0.221 4.568 4.470 -0.205 0.000 0.220 348 S C 0.604 175.222 174.600 0.030 0.000 0.997 348 S CA -0.183 58.031 58.200 0.024 0.000 0.919 348 S CB -0.213 62.983 63.200 -0.007 0.000 0.778 348 S HN 0.492 nan 8.310 nan 0.000 0.523 349 L N 2.502 123.715 121.223 -0.015 0.000 2.416 349 L HA 0.136 4.353 4.340 -0.205 0.000 0.272 349 L C 1.726 178.633 176.870 0.061 0.000 1.161 349 L CA -0.412 54.427 54.840 -0.002 0.000 0.845 349 L CB 0.730 42.753 42.059 -0.061 0.000 1.119 349 L HN 0.265 nan 8.230 nan 0.000 0.464 350 S N -0.027 115.695 115.700 0.037 0.000 2.382 350 S HA -0.175 4.172 4.470 -0.205 0.000 0.228 350 S C 1.657 176.274 174.600 0.029 0.000 1.027 350 S CA 1.294 59.520 58.200 0.042 0.000 0.991 350 S CB -0.611 62.603 63.200 0.024 0.000 0.823 350 S HN 0.857 nan 8.310 nan 0.000 0.469 351 T N -2.032 112.529 114.554 0.011 0.000 3.113 351 T HA 0.123 4.350 4.350 -0.205 0.000 0.263 351 T C 1.152 175.848 174.700 -0.006 0.000 1.143 351 T CA 0.352 62.447 62.100 -0.008 0.000 1.090 351 T CB -0.631 68.221 68.868 -0.025 0.000 0.922 351 T HN 0.395 nan 8.240 nan 0.000 0.521 352 F N 1.676 121.525 119.950 -0.167 0.000 2.664 352 F HA 0.242 4.647 4.527 -0.204 0.000 0.296 352 F C 2.175 177.811 175.800 -0.274 0.000 1.125 352 F CA 0.040 57.866 58.000 -0.290 0.000 1.444 352 F CB -0.102 38.651 39.000 -0.413 0.000 1.114 352 F HN -0.033 nan 8.300 nan 0.000 0.576 353 Q N 0.935 120.654 119.800 -0.136 0.000 2.170 353 Q HA -0.245 3.972 4.340 -0.205 0.000 0.203 353 Q C 2.094 178.060 176.000 -0.057 0.000 0.976 353 Q CA 1.992 57.800 55.803 0.007 0.000 0.858 353 Q CB -0.857 27.968 28.738 0.144 0.000 0.907 353 Q HN 0.709 nan 8.270 nan 0.000 0.433 354 Q N -0.610 119.108 119.800 -0.136 0.000 2.226 354 Q HA -0.054 4.163 4.340 -0.205 0.000 0.204 354 Q C 1.773 177.659 176.000 -0.190 0.000 0.975 354 Q CA 1.211 56.950 55.803 -0.107 0.000 0.866 354 Q CB -0.339 28.350 28.738 -0.081 0.000 0.915 354 Q HN 0.329 nan 8.270 nan 0.000 0.440 355 M N -0.615 118.692 119.600 -0.489 0.000 2.506 355 M HA 0.068 4.425 4.480 -0.205 0.000 0.260 355 M C -0.224 175.811 176.300 -0.441 0.000 1.104 355 M CA 0.142 55.128 55.300 -0.523 0.000 1.112 355 M CB -0.004 32.148 32.600 -0.746 0.000 1.401 355 M HN 0.147 nan 8.290 nan 0.000 0.473 356 W N 1.785 122.778 121.300 -0.511 0.000 2.314 356 W HA 0.050 4.587 4.660 -0.205 0.000 0.339 356 W C -0.188 176.338 176.519 0.011 0.000 1.293 356 W CA -0.426 56.820 57.345 -0.166 0.000 1.288 356 W CB -0.005 29.382 29.460 -0.121 0.000 1.186 356 W HN 0.033 nan 8.180 nan 0.000 0.566 357 I N 4.301 125.121 120.570 0.417 0.000 2.322 357 I HA 0.074 4.121 4.170 -0.205 0.000 0.292 357 I C 0.973 177.334 176.117 0.406 0.000 1.060 357 I CA -0.377 61.128 61.300 0.343 0.000 1.309 357 I CB 0.079 38.292 38.000 0.354 0.000 1.415 357 I HN 0.339 nan 8.210 nan 0.000 0.492 358 T N 1.757 116.454 114.554 0.239 0.000 2.882 358 T HA 0.186 4.413 4.350 -0.205 0.000 0.287 358 T C 1.055 175.751 174.700 -0.007 0.000 1.014 358 T CA -0.777 61.420 62.100 0.161 0.000 1.049 358 T CB 1.650 70.558 68.868 0.066 0.000 1.001 358 T HN 0.523 nan 8.240 nan 0.000 0.525 359 K N 0.649 121.002 120.400 -0.078 0.000 2.074 359 K HA -0.221 3.976 4.320 -0.205 0.000 0.209 359 K C 2.359 178.806 176.600 -0.255 0.000 1.048 359 K CA 2.087 58.123 56.287 -0.417 0.000 0.926 359 K CB -0.640 31.780 32.500 -0.134 0.000 0.713 359 K HN 0.834 nan 8.250 nan 0.000 0.444 360 Q N 0.226 119.957 119.800 -0.115 0.000 2.050 360 Q HA -0.182 4.035 4.340 -0.205 0.000 0.202 360 Q C 1.752 177.707 176.000 -0.075 0.000 0.980 360 Q CA 1.900 57.655 55.803 -0.080 0.000 0.840 360 Q CB -0.072 28.638 28.738 -0.046 0.000 0.898 360 Q HN 0.498 nan 8.270 nan 0.000 0.424 361 E N -0.560 119.613 120.200 -0.046 0.000 2.110 361 E HA -0.226 4.001 4.350 -0.205 0.000 0.193 361 E C 1.728 178.309 176.600 -0.032 0.000 0.988 361 E CA 1.277 57.666 56.400 -0.019 0.000 0.804 361 E CB -0.232 29.487 29.700 0.032 0.000 0.745 361 E HN 0.435 nan 8.360 nan 0.000 0.458 362 Y N 2.083 122.239 120.300 -0.241 0.000 2.181 362 Y HA -0.226 4.202 4.550 -0.204 0.000 0.288 362 Y C 1.689 177.453 175.900 -0.226 0.000 1.146 362 Y CA 1.700 59.626 58.100 -0.291 0.000 1.164 362 Y CB -0.053 37.978 38.460 -0.715 0.000 0.982 362 Y HN -0.046 nan 8.280 nan 0.000 0.515 363 D N 0.102 120.362 120.400 -0.234 0.000 2.117 363 D HA -0.161 4.356 4.640 -0.205 0.000 0.197 363 D C 1.986 178.164 176.300 -0.203 0.000 0.987 363 D CA 1.791 55.650 54.000 -0.235 0.000 0.829 363 D CB -0.188 40.533 40.800 -0.131 0.000 0.961 363 D HN 0.574 nan 8.370 nan 0.000 0.460 364 E N 0.141 120.255 120.200 -0.144 0.000 2.072 364 E HA -0.008 4.219 4.350 -0.205 0.000 0.190 364 E C 1.849 178.382 176.600 -0.113 0.000 0.982 364 E CA 0.948 57.284 56.400 -0.106 0.000 0.803 364 E CB 0.088 29.747 29.700 -0.068 0.000 0.755 364 E HN 0.175 nan 8.360 nan 0.000 0.453 365 A N 0.570 123.315 122.820 -0.125 0.000 2.115 365 A HA 0.406 4.603 4.320 -0.205 0.000 0.211 365 A C 1.093 178.596 177.584 -0.136 0.000 1.169 365 A CA 0.793 52.772 52.037 -0.096 0.000 0.787 365 A CB 0.094 19.066 19.000 -0.046 0.000 0.858 365 A HN 0.291 nan 8.150 nan 0.000 0.474 366 G N -1.103 107.539 108.800 -0.265 0.000 2.757 366 G HA2 -0.104 3.733 3.960 -0.205 0.000 0.638 366 G HA3 -0.104 3.733 3.960 -0.205 0.000 0.638 366 G C -1.609 173.137 174.900 -0.258 0.000 1.344 366 G CA -0.290 44.614 45.100 -0.327 0.000 0.855 366 G HN 0.034 nan 8.290 nan 0.000 0.537 367 P HA -0.012 nan 4.420 nan 0.000 0.217 367 P C 2.340 179.663 177.300 0.039 0.000 1.148 367 P CA 3.038 66.174 63.100 0.059 0.000 0.828 367 P CB -0.207 31.537 31.700 0.073 0.000 0.783 368 S N -0.483 115.244 115.700 0.045 0.000 2.440 368 S HA -0.189 4.158 4.470 -0.205 0.000 0.238 368 S C 1.867 176.501 174.600 0.056 0.000 1.010 368 S CA 1.116 59.389 58.200 0.122 0.000 0.972 368 S CB -1.442 61.827 63.200 0.115 0.000 0.774 368 S HN 0.129 nan 8.310 nan 0.000 0.501 369 I N 0.434 121.018 120.570 0.024 0.000 2.493 369 I HA -0.109 3.938 4.170 -0.205 0.000 0.254 369 I C 2.126 178.241 176.117 -0.003 0.000 1.160 369 I CA 0.608 61.931 61.300 0.039 0.000 1.445 369 I CB 0.027 38.070 38.000 0.071 0.000 1.086 369 I HN 0.287 nan 8.210 nan 0.000 0.433 370 V N 1.705 121.554 119.914 -0.107 0.000 2.720 370 V HA -0.198 3.799 4.120 -0.205 0.000 0.256 370 V C 1.332 177.270 176.094 -0.260 0.000 1.082 370 V CA 1.139 63.323 62.300 -0.193 0.000 1.101 370 V CB -0.777 30.916 31.823 -0.216 0.000 0.693 370 V HN 0.391 nan 8.190 nan 0.000 0.479 371 H N 0.000 119.085 119.070 0.026 0.000 2.539 371 H HA 0.000 4.433 4.556 -0.205 0.000 0.296 371 H CA 0.000 56.053 56.048 0.008 0.000 1.023 371 H CB 0.000 29.774 29.762 0.021 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496