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 3fhn_1_C DATA FIRST_RESID 5 DATA SEQUENCE DDLLNINDRI KQVQNERNEL ASKLQNLKQS LASNDTEVAL SEVIAQDIIE DATA SEQUENCE VGASVEGLEQ LRAKYGDLQI LNKLEKVAVQ QTQXQAGVDK LDSFERQLDE DATA SEQUENCE LAEQPPDQFT LDDVKALHSK LTSVFATVPQ INNIDSQYAA YNKLKSKVTG DATA SEQUENCE KYNDVIIQRL ATNWSNTFDQ KLLEAQWDTQ KFASTSVGLV KCLRENSTKL DATA SEQUENCE YQLSLLYLPL EEXXXXXXXX XXXXXXXXXX EPVLWNFKSL ANNFNVRFTY DATA SEQUENCE HFHATSSSSK IETYFQFLND YLAENLYKCI NIFHDDCNGL TKPVIHEQFI DATA SEQUENCE NYVLQPIRDK VRSTLFQNDL KTLIVLISQI LATDKNLLNS FHYHGLGLVS DATA SEQUENCE LISDEVWEKW INYEVEXANR QFINITKNPE DFPKSSQNFV KLINKIYDYL DATA SEQUENCE EPFYDLDFDL LVRYKLXTCS LIFXNLTSSY LDYILTVDSL NETRTKEQEL DATA SEQUENCE YQTXAKLQHV NFVYRKIKSL SSNFIFIQLT DIVNSTESKK YNSLFQNVEN DATA SEQUENCE DYEKAXSTDX QNSIVHRIQK LLKETLRNYF KISTWSTLEX SXXXXXXPSS DATA SEQUENCE VPSAELVNSI NVLRRLINKL DSXDIPLAIS LKVKNELLNV IVNYFTESIL DATA SEQUENCE KLNKFNQNGL NQFLHDFKSL SSILSLPSHA TNYKCXSLHE LVKILKLKYD DATA SEQUENCE PNNQQFLNPE YIKTGNFTSL KEAYSIKYLK DTKIQDALYR IIYGNIL 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.301 176.300 0.002 0.000 2.045 5 D CA 0.000 54.001 54.000 0.002 0.000 0.868 5 D CB 0.000 40.801 40.800 0.002 0.000 0.688 6 D N 1.303 121.705 120.400 0.002 0.000 2.371 6 D HA 0.011 4.651 4.640 0.000 0.000 0.234 6 D C 2.118 178.419 176.300 0.002 0.000 1.049 6 D CA 0.337 54.339 54.000 0.002 0.000 0.907 6 D CB -0.166 40.635 40.800 0.002 0.000 0.891 6 D HN 0.273 nan 8.370 nan 0.000 0.531 7 L N -0.453 120.771 121.223 0.002 0.000 2.156 7 L HA -0.032 4.308 4.340 0.000 0.000 0.208 7 L C 1.836 178.707 176.870 0.002 0.000 1.095 7 L CA 0.613 55.454 54.840 0.002 0.000 0.770 7 L CB -0.081 41.980 42.059 0.002 0.000 0.914 7 L HN 0.176 nan 8.230 nan 0.000 0.439 8 L N 0.436 121.660 121.223 0.002 0.000 2.093 8 L HA -0.188 4.152 4.340 0.000 0.000 0.208 8 L C 2.086 178.957 176.870 0.002 0.000 1.085 8 L CA 1.834 56.675 54.840 0.002 0.000 0.755 8 L CB -0.786 41.275 42.059 0.002 0.000 0.904 8 L HN 0.354 nan 8.230 nan 0.000 0.435 9 N N -0.515 118.186 118.700 0.002 0.000 2.188 9 N HA -0.157 4.583 4.740 0.000 0.000 0.184 9 N C 1.812 177.323 175.510 0.002 0.000 1.018 9 N CA 1.514 54.565 53.050 0.002 0.000 0.858 9 N CB -0.168 38.320 38.487 0.002 0.000 0.989 9 N HN 0.450 nan 8.380 nan 0.000 0.426 10 I N 0.295 120.866 120.570 0.002 0.000 2.202 10 I HA -0.226 3.944 4.170 0.000 0.000 0.242 10 I C 2.214 178.332 176.117 0.002 0.000 1.091 10 I CA 0.812 62.113 61.300 0.002 0.000 1.368 10 I CB -0.443 37.558 38.000 0.002 0.000 1.058 10 I HN 0.346 nan 8.210 nan 0.000 0.410 11 N N 0.863 119.564 118.700 0.002 0.000 2.289 11 N HA -0.240 4.500 4.740 0.000 0.000 0.184 11 N C 1.302 176.813 175.510 0.002 0.000 1.016 11 N CA 1.830 54.881 53.050 0.002 0.000 0.872 11 N CB -0.029 38.459 38.487 0.002 0.000 0.973 11 N HN 0.344 nan 8.380 nan 0.000 0.433 12 D N -0.341 120.060 120.400 0.002 0.000 2.277 12 D HA 0.143 4.783 4.640 0.000 0.000 0.209 12 D C 1.935 178.237 176.300 0.002 0.000 0.970 12 D CA 0.241 54.242 54.000 0.002 0.000 0.874 12 D CB 0.183 40.984 40.800 0.002 0.000 0.982 12 D HN 0.087 nan 8.370 nan 0.000 0.504 13 R N -0.041 120.461 120.500 0.002 0.000 2.237 13 R HA 0.020 4.360 4.340 0.000 0.000 0.219 13 R C 1.831 178.132 176.300 0.002 0.000 1.080 13 R CA 0.426 56.527 56.100 0.002 0.000 0.995 13 R CB 0.013 30.314 30.300 0.002 0.000 0.875 13 R HN 0.335 nan 8.270 nan 0.000 0.462 14 I N 0.284 120.855 120.570 0.002 0.000 2.277 14 I HA -0.237 3.933 4.170 0.000 0.000 0.243 14 I C 1.967 178.085 176.117 0.002 0.000 1.094 14 I CA 1.221 62.522 61.300 0.002 0.000 1.393 14 I CB -0.087 37.914 38.000 0.002 0.000 1.078 14 I HN 0.058 nan 8.210 nan 0.000 0.417 15 K N 0.386 120.787 120.400 0.002 0.000 2.147 15 K HA -0.219 4.101 4.320 0.000 0.000 0.205 15 K C 2.133 178.734 176.600 0.002 0.000 1.049 15 K CA 1.306 57.594 56.287 0.002 0.000 0.936 15 K CB -0.107 32.394 32.500 0.002 0.000 0.722 15 K HN 0.367 nan 8.250 nan 0.000 0.446 16 Q N 0.271 120.072 119.800 0.002 0.000 1.993 16 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 16 Q C 2.196 178.197 176.000 0.002 0.000 0.984 16 Q CA 1.515 57.319 55.803 0.002 0.000 0.837 16 Q CB -0.144 28.596 28.738 0.002 0.000 0.902 16 Q HN 0.092 nan 8.270 nan 0.000 0.423 17 V N 1.238 121.153 119.914 0.002 0.000 2.324 17 V HA -0.338 3.782 4.120 0.000 0.000 0.250 17 V C 2.204 178.299 176.094 0.002 0.000 1.060 17 V CA 2.012 64.313 62.300 0.002 0.000 1.042 17 V CB -0.544 31.280 31.823 0.002 0.000 0.650 17 V HN 0.429 nan 8.190 nan 0.000 0.450 18 Q N -0.467 119.334 119.800 0.002 0.000 2.135 18 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 18 Q C 2.156 178.157 176.000 0.001 0.000 0.981 18 Q CA 1.634 57.438 55.803 0.001 0.000 0.856 18 Q CB -0.254 28.485 28.738 0.001 0.000 0.902 18 Q HN 0.674 nan 8.270 nan 0.000 0.425 19 N N 0.598 119.298 118.700 0.001 0.000 2.171 19 N HA -0.123 4.617 4.740 0.000 0.000 0.184 19 N C 1.567 177.078 175.510 0.001 0.000 1.021 19 N CA 0.987 54.038 53.050 0.001 0.000 0.854 19 N CB -0.116 38.372 38.487 0.001 0.000 0.994 19 N HN 0.333 nan 8.380 nan 0.000 0.426 20 E N 1.211 121.411 120.200 0.001 0.000 2.038 20 E HA -0.140 4.211 4.350 0.000 0.000 0.195 20 E C 2.031 178.632 176.600 0.001 0.000 1.000 20 E CA 0.787 57.188 56.400 0.001 0.000 0.803 20 E CB -0.185 29.516 29.700 0.002 0.000 0.750 20 E HN 0.328 nan 8.360 nan 0.000 0.448 21 R N 0.674 121.175 120.500 0.001 0.000 2.103 21 R HA -0.171 4.169 4.340 0.000 0.000 0.242 21 R C 2.128 178.428 176.300 0.001 0.000 1.142 21 R CA 1.537 57.638 56.100 0.001 0.000 0.960 21 R CB -0.329 29.972 30.300 0.001 0.000 0.858 21 R HN 0.130 nan 8.270 nan 0.000 0.439 22 N N 0.476 119.176 118.700 0.001 0.000 2.058 22 N HA -0.151 4.590 4.740 0.000 0.000 0.191 22 N C 1.549 177.059 175.510 -0.000 0.000 1.037 22 N CA 1.400 54.450 53.050 0.000 0.000 0.848 22 N CB -0.103 38.384 38.487 0.000 0.000 1.021 22 N HN 0.295 nan 8.380 nan 0.000 0.422 23 E N -0.087 120.114 120.200 0.000 0.000 2.051 23 E HA -0.168 4.183 4.350 0.000 0.000 0.192 23 E C 1.822 178.421 176.600 -0.000 0.000 0.991 23 E CA 0.708 57.108 56.400 -0.000 0.000 0.799 23 E CB -0.213 29.487 29.700 0.000 0.000 0.748 23 E HN 0.155 nan 8.360 nan 0.000 0.449 24 L N 1.157 122.380 121.223 -0.000 0.000 2.043 24 L HA -0.216 4.125 4.340 0.000 0.000 0.212 24 L C 2.093 178.963 176.870 -0.001 0.000 1.075 24 L CA 2.141 56.981 54.840 -0.000 0.000 0.752 24 L CB -0.796 41.263 42.059 0.000 0.000 0.891 24 L HN 0.074 nan 8.230 nan 0.000 0.432 25 A N -0.637 122.182 122.820 -0.001 0.000 1.824 25 A HA -0.242 4.078 4.320 0.000 0.000 0.215 25 A C 2.444 180.026 177.584 -0.002 0.000 1.209 25 A CA 2.720 54.756 52.037 -0.002 0.000 0.614 25 A CB -1.502 17.497 19.000 -0.001 0.000 0.852 25 A HN 0.657 nan 8.150 nan 0.000 0.447 26 S N -0.026 115.673 115.700 -0.002 0.000 2.392 26 S HA -0.287 4.183 4.470 0.000 0.000 0.232 26 S C 1.852 176.450 174.600 -0.003 0.000 1.041 26 S CA 2.004 60.202 58.200 -0.003 0.000 1.026 26 S CB -0.371 62.828 63.200 -0.002 0.000 0.845 26 S HN 0.456 nan 8.310 nan 0.000 0.465 27 K N 1.241 121.640 120.400 -0.003 0.000 2.057 27 K HA 0.129 4.449 4.320 0.000 0.000 0.206 27 K C 1.987 178.584 176.600 -0.005 0.000 1.050 27 K CA 1.040 57.325 56.287 -0.004 0.000 0.935 27 K CB -0.975 31.523 32.500 -0.003 0.000 0.715 27 K HN 0.360 nan 8.250 nan 0.000 0.439 28 L N 1.049 122.269 121.223 -0.005 0.000 2.127 28 L HA -0.151 4.189 4.340 0.000 0.000 0.211 28 L C 2.147 179.012 176.870 -0.008 0.000 1.089 28 L CA 1.874 56.711 54.840 -0.006 0.000 0.757 28 L CB -0.849 41.208 42.059 -0.005 0.000 0.899 28 L HN 0.332 nan 8.230 nan 0.000 0.434 29 Q N -0.341 119.455 119.800 -0.007 0.000 2.049 29 Q HA -0.142 4.198 4.340 0.000 0.000 0.198 29 Q C 1.985 177.979 176.000 -0.009 0.000 0.971 29 Q CA 1.838 57.636 55.803 -0.007 0.000 0.833 29 Q CB -0.341 28.394 28.738 -0.006 0.000 0.896 29 Q HN 0.569 nan 8.270 nan 0.000 0.434 30 N N 0.048 118.743 118.700 -0.008 0.000 2.289 30 N HA -0.146 4.595 4.740 0.000 0.000 0.184 30 N C 1.528 177.032 175.510 -0.011 0.000 1.016 30 N CA 0.972 54.017 53.050 -0.008 0.000 0.872 30 N CB -0.084 38.399 38.487 -0.007 0.000 0.973 30 N HN 0.239 nan 8.380 nan 0.000 0.433 31 L N 2.128 123.345 121.223 -0.011 0.000 2.072 31 L HA -0.067 4.273 4.340 0.000 0.000 0.205 31 L C 2.028 178.888 176.870 -0.017 0.000 1.079 31 L CA 1.620 56.452 54.840 -0.014 0.000 0.752 31 L CB -0.381 41.670 42.059 -0.013 0.000 0.906 31 L HN -0.110 nan 8.230 nan 0.000 0.436 32 K N -0.272 120.118 120.400 -0.017 0.000 2.009 32 K HA -0.193 4.127 4.320 0.000 0.000 0.210 32 K C 1.973 178.562 176.600 -0.020 0.000 1.049 32 K CA 1.631 57.905 56.287 -0.020 0.000 0.929 32 K CB -0.624 31.866 32.500 -0.018 0.000 0.714 32 K HN 0.522 nan 8.250 nan 0.000 0.440 33 Q N 0.575 120.366 119.800 -0.016 0.000 2.181 33 Q HA -0.098 4.243 4.340 0.000 0.000 0.205 33 Q C 2.225 178.215 176.000 -0.016 0.000 0.980 33 Q CA 1.259 57.053 55.803 -0.014 0.000 0.862 33 Q CB -0.281 28.451 28.738 -0.011 0.000 0.905 33 Q HN 0.252 nan 8.270 nan 0.000 0.429 34 S N 1.294 116.985 115.700 -0.016 0.000 2.338 34 S HA -0.066 4.405 4.470 0.000 0.000 0.218 34 S C 2.186 176.774 174.600 -0.020 0.000 1.032 34 S CA 0.727 58.916 58.200 -0.017 0.000 0.999 34 S CB -0.402 62.788 63.200 -0.016 0.000 0.905 34 S HN 0.239 nan 8.310 nan 0.000 0.439 35 L N 1.525 122.734 121.223 -0.024 0.000 2.064 35 L HA -0.288 4.052 4.340 0.000 0.000 0.216 35 L C 2.742 179.595 176.870 -0.029 0.000 1.077 35 L CA 1.387 56.209 54.840 -0.030 0.000 0.766 35 L CB -0.837 41.200 42.059 -0.037 0.000 0.890 35 L HN 0.342 nan 8.230 nan 0.000 0.435 36 A N -0.463 122.342 122.820 -0.026 0.000 1.841 36 A HA -0.246 4.074 4.320 0.000 0.000 0.216 36 A C 2.489 180.061 177.584 -0.020 0.000 1.199 36 A CA 2.298 54.322 52.037 -0.023 0.000 0.621 36 A CB -0.962 18.026 19.000 -0.019 0.000 0.835 36 A HN 0.394 nan 8.150 nan 0.000 0.445 37 S N 0.540 116.230 115.700 -0.017 0.000 2.372 37 S HA -0.194 4.276 4.470 0.000 0.000 0.227 37 S C 1.721 176.311 174.600 -0.016 0.000 1.044 37 S CA 1.523 59.713 58.200 -0.015 0.000 1.050 37 S CB -0.550 62.642 63.200 -0.014 0.000 0.901 37 S HN 0.635 nan 8.310 nan 0.000 0.447 38 N N 1.281 119.970 118.700 -0.019 0.000 2.521 38 N HA -0.030 4.710 4.740 0.000 0.000 0.188 38 N C -0.122 175.376 175.510 -0.021 0.000 1.146 38 N CA 0.409 53.447 53.050 -0.020 0.000 0.893 38 N CB -0.052 38.422 38.487 -0.021 0.000 0.975 38 N HN 0.351 nan 8.380 nan 0.000 0.451 39 D N 0.321 120.708 120.400 -0.022 0.000 2.557 39 D HA 0.059 4.699 4.640 0.000 0.000 0.236 39 D C 1.299 177.589 176.300 -0.018 0.000 1.154 39 D CA -0.299 53.688 54.000 -0.022 0.000 0.985 39 D CB 0.224 41.008 40.800 -0.027 0.000 1.010 39 D HN 0.082 nan 8.370 nan 0.000 0.516 40 T N -0.490 114.055 114.554 -0.015 0.000 2.929 40 T HA -0.189 4.161 4.350 0.000 0.000 0.271 40 T C 1.473 176.167 174.700 -0.011 0.000 1.085 40 T CA 0.931 63.024 62.100 -0.013 0.000 1.125 40 T CB -0.157 68.704 68.868 -0.012 0.000 0.874 40 T HN 0.439 nan 8.240 nan 0.000 0.494 41 E N 0.999 121.192 120.200 -0.011 0.000 2.418 41 E HA 0.033 4.383 4.350 0.000 0.000 0.197 41 E C 0.218 176.813 176.600 -0.008 0.000 1.026 41 E CA 0.216 56.610 56.400 -0.009 0.000 0.862 41 E CB -0.298 29.397 29.700 -0.009 0.000 0.799 41 E HN 0.292 nan 8.360 nan 0.000 0.518 42 V N 0.045 119.952 119.914 -0.011 0.000 5.616 42 V HA -0.325 3.796 4.120 0.000 0.000 0.301 42 V C 0.633 176.721 176.094 -0.009 0.000 0.564 42 V CA 0.930 63.224 62.300 -0.011 0.000 0.653 42 V CB -2.296 29.522 31.823 -0.008 0.000 0.372 42 V HN 0.451 nan 8.190 nan 0.000 1.029 43 A N -0.252 122.561 122.820 -0.013 0.000 2.431 43 A HA 0.552 4.872 4.320 0.000 0.000 0.239 43 A C 0.576 178.147 177.584 -0.021 0.000 1.230 43 A CA -0.020 52.011 52.037 -0.010 0.000 0.928 43 A CB 0.302 19.299 19.000 -0.006 0.000 1.006 43 A HN 0.566 nan 8.150 nan 0.000 0.520 44 L N 1.323 122.525 121.223 -0.035 0.000 2.418 44 L HA 0.416 4.756 4.340 0.000 0.000 0.265 44 L C 0.675 177.521 176.870 -0.040 0.000 1.143 44 L CA -0.289 54.517 54.840 -0.056 0.000 0.809 44 L CB 1.631 43.653 42.059 -0.063 0.000 1.124 44 L HN 0.404 nan 8.230 nan 0.000 0.456 45 S N -0.309 115.360 115.700 -0.052 0.000 2.634 45 S HA 0.269 4.740 4.470 0.000 0.000 0.296 45 S C 0.398 174.977 174.600 -0.036 0.000 1.104 45 S CA -0.729 57.456 58.200 -0.025 0.000 0.920 45 S CB 1.907 65.110 63.200 0.004 0.000 1.111 45 S HN 0.616 nan 8.310 nan 0.000 0.493 46 E N 0.676 120.866 120.200 -0.017 0.000 2.160 46 E HA -0.153 4.197 4.350 0.000 0.000 0.195 46 E C 1.698 178.286 176.600 -0.019 0.000 0.991 46 E CA 2.036 58.425 56.400 -0.017 0.000 0.810 46 E CB -0.528 29.168 29.700 -0.006 0.000 0.742 46 E HN 0.710 nan 8.360 nan 0.000 0.466 47 V N -1.028 118.884 119.914 -0.003 0.000 2.719 47 V HA -0.034 4.086 4.120 0.000 0.000 0.252 47 V C 2.017 178.090 176.094 -0.035 0.000 1.065 47 V CA 1.309 63.618 62.300 0.015 0.000 1.086 47 V CB -0.400 31.466 31.823 0.072 0.000 0.700 47 V HN 0.297 nan 8.190 nan 0.000 0.467 48 I N 1.174 121.659 120.570 -0.141 0.000 2.406 48 I HA 0.017 4.187 4.170 0.000 0.000 0.249 48 I C 2.928 178.909 176.117 -0.227 0.000 1.122 48 I CA 1.241 62.311 61.300 -0.384 0.000 1.431 48 I CB -0.692 36.978 38.000 -0.550 0.000 1.087 48 I HN 0.369 nan 8.210 nan 0.000 0.424 49 A N 0.542 123.282 122.820 -0.134 0.000 1.933 49 A HA -0.198 4.122 4.320 0.000 0.000 0.218 49 A C 2.310 179.855 177.584 -0.065 0.000 1.175 49 A CA 1.233 53.216 52.037 -0.090 0.000 0.628 49 A CB -0.399 18.565 19.000 -0.060 0.000 0.814 49 A HN 0.356 nan 8.150 nan 0.000 0.444 50 Q N 0.299 120.070 119.800 -0.048 0.000 2.030 50 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 50 Q C 1.647 177.634 176.000 -0.022 0.000 0.986 50 Q CA 2.114 57.903 55.803 -0.023 0.000 0.843 50 Q CB -0.749 27.987 28.738 -0.003 0.000 0.904 50 Q HN 0.701 nan 8.270 nan 0.000 0.420 51 D N 0.390 120.774 120.400 -0.028 0.000 2.104 51 D HA -0.114 4.527 4.640 0.000 0.000 0.194 51 D C 2.029 178.312 176.300 -0.028 0.000 0.994 51 D CA 0.892 54.886 54.000 -0.009 0.000 0.830 51 D CB -0.250 40.558 40.800 0.013 0.000 0.959 51 D HN 0.188 nan 8.370 nan 0.000 0.452 52 I N 0.583 121.114 120.570 -0.066 0.000 2.099 52 I HA -0.267 3.903 4.170 0.000 0.000 0.239 52 I C 2.247 178.345 176.117 -0.032 0.000 1.066 52 I CA 0.997 62.264 61.300 -0.055 0.000 1.324 52 I CB -0.301 37.654 38.000 -0.075 0.000 1.037 52 I HN 0.044 nan 8.210 nan 0.000 0.401 53 I N 0.374 120.926 120.570 -0.031 0.000 2.399 53 I HA -0.315 3.855 4.170 0.000 0.000 0.254 53 I C 2.465 178.575 176.117 -0.010 0.000 1.146 53 I CA 1.501 62.789 61.300 -0.019 0.000 1.412 53 I CB -0.407 37.582 38.000 -0.018 0.000 1.076 53 I HN 0.398 nan 8.210 nan 0.000 0.432 54 E N 0.050 120.246 120.200 -0.007 0.000 2.250 54 E HA -0.054 4.296 4.350 0.000 0.000 0.192 54 E C 1.363 177.964 176.600 0.003 0.000 0.986 54 E CA 0.538 56.938 56.400 0.001 0.000 0.849 54 E CB 0.751 30.455 29.700 0.007 0.000 0.797 54 E HN 0.204 nan 8.360 nan 0.000 0.482 55 V N -0.132 119.783 119.914 0.002 0.000 3.399 55 V HA 0.288 4.408 4.120 0.000 0.000 0.357 55 V C 0.794 176.888 176.094 0.000 0.000 1.480 55 V CA 0.512 62.815 62.300 0.005 0.000 1.263 55 V CB 0.978 32.809 31.823 0.014 0.000 1.103 55 V HN 0.289 nan 8.190 nan 0.000 0.533 56 G N -0.045 108.751 108.800 -0.008 0.000 2.920 56 G HA2 0.259 4.220 3.960 0.000 0.000 0.208 56 G HA3 0.259 4.220 3.960 0.000 0.000 0.208 56 G C 1.047 175.941 174.900 -0.010 0.000 1.159 56 G CA 0.797 45.890 45.100 -0.012 0.000 0.784 56 G HN 0.695 nan 8.290 nan 0.000 0.535 57 A N 0.182 122.998 122.820 -0.006 0.000 2.348 57 A HA 0.514 4.834 4.320 0.000 0.000 0.224 57 A C 1.378 178.960 177.584 -0.003 0.000 1.227 57 A CA 0.631 52.665 52.037 -0.006 0.000 0.885 57 A CB 0.092 19.090 19.000 -0.004 0.000 0.933 57 A HN 0.518 nan 8.150 nan 0.000 0.506 58 S N -1.269 114.430 115.700 -0.001 0.000 2.537 58 S HA 0.495 4.965 4.470 0.000 0.000 0.301 58 S C 0.854 175.454 174.600 -0.000 0.000 1.092 58 S CA -0.217 57.983 58.200 0.000 0.000 1.048 58 S CB 1.696 64.898 63.200 0.003 0.000 1.053 58 S HN 0.078 nan 8.310 nan 0.000 0.501 59 V N 2.306 122.219 119.914 -0.001 0.000 2.261 59 V HA -0.134 3.986 4.120 0.000 0.000 0.246 59 V C 2.788 178.884 176.094 0.003 0.000 1.047 59 V CA 2.316 64.615 62.300 -0.001 0.000 1.015 59 V CB -1.033 30.788 31.823 -0.003 0.000 0.642 59 V HN 1.085 nan 8.190 nan 0.000 0.446 60 E N 0.169 120.371 120.200 0.004 0.000 2.160 60 E HA -0.206 4.144 4.350 0.000 0.000 0.195 60 E C 2.190 178.797 176.600 0.011 0.000 0.991 60 E CA 1.419 57.823 56.400 0.007 0.000 0.810 60 E CB -0.356 29.348 29.700 0.007 0.000 0.742 60 E HN 0.607 nan 8.360 nan 0.000 0.466 61 G N 1.255 110.062 108.800 0.011 0.000 2.414 61 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 61 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 61 G C 1.594 176.506 174.900 0.020 0.000 1.188 61 G CA 0.597 45.706 45.100 0.016 0.000 0.783 61 G HN 0.204 nan 8.290 nan 0.000 0.537 62 L N 0.230 121.460 121.223 0.012 0.000 2.042 62 L HA -0.108 4.232 4.340 0.000 0.000 0.210 62 L C 2.992 179.875 176.870 0.022 0.000 1.076 62 L CA 1.095 55.942 54.840 0.012 0.000 0.749 62 L CB -0.339 41.721 42.059 0.002 0.000 0.893 62 L HN 0.170 nan 8.230 nan 0.000 0.432 63 E N 0.049 120.260 120.200 0.018 0.000 2.049 63 E HA -0.284 4.066 4.350 0.000 0.000 0.198 63 E C 2.174 178.792 176.600 0.030 0.000 1.007 63 E CA 1.439 57.850 56.400 0.019 0.000 0.809 63 E CB -0.206 29.502 29.700 0.013 0.000 0.749 63 E HN 0.548 nan 8.360 nan 0.000 0.450 64 Q N 0.069 119.888 119.800 0.032 0.000 2.096 64 Q HA -0.110 4.231 4.340 0.000 0.000 0.204 64 Q C 2.445 178.489 176.000 0.073 0.000 0.982 64 Q CA 1.058 56.885 55.803 0.041 0.000 0.850 64 Q CB -0.097 28.663 28.738 0.037 0.000 0.901 64 Q HN 0.263 nan 8.270 nan 0.000 0.422 65 L N -0.128 121.150 121.223 0.092 0.000 2.141 65 L HA -0.175 4.165 4.340 0.000 0.000 0.209 65 L C 2.473 179.450 176.870 0.178 0.000 1.094 65 L CA 0.975 55.916 54.840 0.169 0.000 0.763 65 L CB -0.371 41.744 42.059 0.094 0.000 0.908 65 L HN 0.206 nan 8.230 nan 0.000 0.437 66 R N 0.003 120.560 120.500 0.094 0.000 2.075 66 R HA -0.084 4.256 4.340 0.000 0.000 0.232 66 R C 2.402 178.743 176.300 0.069 0.000 1.126 66 R CA 1.294 57.440 56.100 0.077 0.000 0.963 66 R CB -0.334 29.991 30.300 0.041 0.000 0.858 66 R HN 0.314 nan 8.270 nan 0.000 0.435 67 A N 1.256 124.105 122.820 0.048 0.000 1.972 67 A HA -0.200 4.120 4.320 0.000 0.000 0.219 67 A C 2.054 179.641 177.584 0.006 0.000 1.169 67 A CA 1.466 53.517 52.037 0.022 0.000 0.635 67 A CB -0.236 18.771 19.000 0.012 0.000 0.810 67 A HN 0.216 nan 8.150 nan 0.000 0.446 68 K N -2.183 118.229 120.400 0.020 0.000 2.098 68 K HA -0.019 4.301 4.320 0.000 0.000 0.203 68 K C 0.675 177.164 176.600 -0.186 0.000 1.051 68 K CA 1.046 57.275 56.287 -0.098 0.000 0.957 68 K CB -0.042 32.389 32.500 -0.115 0.000 0.738 68 K HN 0.509 nan 8.250 nan 0.000 0.447 69 Y N -0.009 120.289 120.300 -0.003 0.000 2.531 69 Y HA 0.334 4.885 4.550 0.000 0.000 0.249 69 Y C 0.430 176.328 175.900 -0.004 0.000 1.168 69 Y CA 0.018 58.116 58.100 -0.003 0.000 1.226 69 Y CB 1.249 39.707 38.460 -0.003 0.000 1.177 69 Y HN 0.264 nan 8.280 nan 0.000 0.527 70 G N 0.433 109.306 108.800 0.122 0.000 2.746 70 G HA2 -0.206 3.754 3.960 0.000 0.000 0.685 70 G HA3 -0.206 3.754 3.960 0.000 0.000 0.685 70 G C -1.144 173.794 174.900 0.064 0.000 1.350 70 G CA -0.947 44.196 45.100 0.072 0.000 0.837 70 G HN 0.101 nan 8.290 nan 0.000 0.564 71 D N 0.934 121.357 120.400 0.038 0.000 2.367 71 D HA 0.165 4.805 4.640 0.000 0.000 0.255 71 D C 1.724 178.036 176.300 0.020 0.000 1.300 71 D CA -0.041 53.974 54.000 0.025 0.000 0.959 71 D CB 0.742 41.551 40.800 0.015 0.000 1.064 71 D HN 0.380 nan 8.370 nan 0.000 0.509 72 L N 1.481 122.715 121.223 0.018 0.000 2.478 72 L HA -0.113 4.227 4.340 0.000 0.000 0.223 72 L C 1.891 178.757 176.870 -0.006 0.000 1.140 72 L CA 0.446 55.288 54.840 0.004 0.000 0.842 72 L CB -0.089 41.962 42.059 -0.012 0.000 0.953 72 L HN 0.545 nan 8.230 nan 0.000 0.452 73 Q N -1.053 118.744 119.800 -0.006 0.000 2.604 73 Q HA -0.358 3.982 4.340 0.000 0.000 0.160 73 Q C 1.464 177.454 176.000 -0.016 0.000 1.724 73 Q CA 2.202 57.999 55.803 -0.010 0.000 1.083 73 Q CB -1.252 27.480 28.738 -0.009 0.000 1.016 73 Q HN 0.614 nan 8.270 nan 0.000 0.939 74 I N 0.178 120.735 120.570 -0.021 0.000 3.035 74 I HA -0.048 4.122 4.170 0.000 0.000 0.271 74 I C 1.901 178.001 176.117 -0.029 0.000 1.190 74 I CA 0.363 61.647 61.300 -0.027 0.000 1.472 74 I CB 0.080 38.059 38.000 -0.035 0.000 1.116 74 I HN 0.291 nan 8.210 nan 0.000 0.443 75 L N 0.982 122.189 121.223 -0.027 0.000 2.156 75 L HA -0.167 4.174 4.340 0.000 0.000 0.208 75 L C 2.212 179.073 176.870 -0.016 0.000 1.095 75 L CA 1.387 56.213 54.840 -0.024 0.000 0.770 75 L CB -0.741 41.308 42.059 -0.016 0.000 0.914 75 L HN 0.399 nan 8.230 nan 0.000 0.439 76 N N 0.638 119.330 118.700 -0.013 0.000 2.106 76 N HA -0.207 4.534 4.740 0.000 0.000 0.188 76 N C 1.751 177.251 175.510 -0.016 0.000 1.029 76 N CA 1.510 54.553 53.050 -0.012 0.000 0.848 76 N CB 0.011 38.492 38.487 -0.010 0.000 1.007 76 N HN 0.085 nan 8.380 nan 0.000 0.423 77 K N -0.119 120.270 120.400 -0.019 0.000 2.103 77 K HA -0.085 4.235 4.320 0.000 0.000 0.207 77 K C 1.983 178.569 176.600 -0.023 0.000 1.048 77 K CA 1.208 57.482 56.287 -0.022 0.000 0.930 77 K CB -0.219 32.267 32.500 -0.022 0.000 0.716 77 K HN 0.291 nan 8.250 nan 0.000 0.444 78 L N 0.380 121.590 121.223 -0.023 0.000 2.109 78 L HA -0.139 4.201 4.340 0.000 0.000 0.207 78 L C 2.469 179.327 176.870 -0.020 0.000 1.086 78 L CA 1.062 55.889 54.840 -0.022 0.000 0.760 78 L CB -0.284 41.761 42.059 -0.024 0.000 0.910 78 L HN 0.260 nan 8.230 nan 0.000 0.437 79 E N 0.367 120.557 120.200 -0.017 0.000 2.110 79 E HA -0.231 4.119 4.350 0.000 0.000 0.193 79 E C 2.169 178.758 176.600 -0.018 0.000 0.988 79 E CA 1.018 57.409 56.400 -0.015 0.000 0.804 79 E CB 0.209 29.902 29.700 -0.011 0.000 0.745 79 E HN 0.265 nan 8.360 nan 0.000 0.458 80 K N 0.022 120.409 120.400 -0.021 0.000 1.987 80 K HA -0.192 4.128 4.320 0.000 0.000 0.216 80 K C 2.112 178.694 176.600 -0.030 0.000 1.051 80 K CA 1.798 58.069 56.287 -0.027 0.000 0.942 80 K CB -0.317 32.166 32.500 -0.029 0.000 0.722 80 K HN 0.064 nan 8.250 nan 0.000 0.444 81 V N 1.127 121.023 119.914 -0.030 0.000 2.392 81 V HA -0.287 3.833 4.120 0.000 0.000 0.249 81 V C 2.335 178.413 176.094 -0.026 0.000 1.059 81 V CA 2.045 64.326 62.300 -0.032 0.000 1.051 81 V CB -0.735 31.071 31.823 -0.029 0.000 0.658 81 V HN 0.427 nan 8.190 nan 0.000 0.455 82 A N -0.428 122.379 122.820 -0.021 0.000 1.898 82 A HA -0.133 4.187 4.320 0.000 0.000 0.216 82 A C 2.396 179.969 177.584 -0.018 0.000 1.181 82 A CA 1.873 53.900 52.037 -0.016 0.000 0.620 82 A CB -0.613 18.380 19.000 -0.013 0.000 0.819 82 A HN 0.328 nan 8.150 nan 0.000 0.442 83 V N 0.017 119.919 119.914 -0.020 0.000 2.343 83 V HA -0.314 3.806 4.120 0.000 0.000 0.247 83 V C 2.706 178.783 176.094 -0.029 0.000 1.051 83 V CA 2.361 64.647 62.300 -0.022 0.000 1.036 83 V CB -0.737 31.073 31.823 -0.022 0.000 0.654 83 V HN 0.768 nan 8.190 nan 0.000 0.451 84 Q N -0.616 119.163 119.800 -0.035 0.000 1.967 84 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 84 Q C 2.443 178.422 176.000 -0.036 0.000 0.985 84 Q CA 1.880 57.656 55.803 -0.045 0.000 0.839 84 Q CB -0.140 28.563 28.738 -0.058 0.000 0.906 84 Q HN 0.576 nan 8.270 nan 0.000 0.423 85 Q N -0.381 119.404 119.800 -0.025 0.000 2.112 85 Q HA -0.157 4.184 4.340 0.000 0.000 0.206 85 Q C 2.112 178.104 176.000 -0.014 0.000 0.987 85 Q CA 2.002 57.798 55.803 -0.012 0.000 0.858 85 Q CB -0.628 28.106 28.738 -0.006 0.000 0.905 85 Q HN 0.443 nan 8.270 nan 0.000 0.420 86 T N 1.682 116.226 114.554 -0.016 0.000 2.746 86 T HA -0.126 4.224 4.350 0.000 0.000 0.267 86 T C 1.065 175.752 174.700 -0.022 0.000 1.039 86 T CA 0.804 62.896 62.100 -0.014 0.000 1.142 86 T CB -0.059 68.802 68.868 -0.011 0.000 0.866 86 T HN 0.340 nan 8.240 nan 0.000 0.444 90 A N 0.566 123.393 122.820 0.012 0.000 2.015 90 A HA 0.212 4.532 4.320 0.000 0.000 0.219 90 A C 1.863 179.476 177.584 0.047 0.000 1.163 90 A CA 1.847 53.897 52.037 0.022 0.000 0.646 90 A CB -0.961 18.042 19.000 0.006 0.000 0.806 90 A HN 0.493 nan 8.150 nan 0.000 0.448 91 G N -0.246 108.579 108.800 0.043 0.000 2.453 91 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 91 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 91 G C 1.530 176.588 174.900 0.265 0.000 1.201 91 G CA 1.275 46.465 45.100 0.150 0.000 0.784 91 G HN 0.285 nan 8.290 nan 0.000 0.545 92 V N 1.502 121.576 119.914 0.268 0.000 2.282 92 V HA -0.215 3.905 4.120 0.000 0.000 0.249 92 V C 2.596 178.762 176.094 0.119 0.000 1.057 92 V CA 2.453 64.874 62.300 0.202 0.000 1.032 92 V CB -0.638 31.283 31.823 0.163 0.000 0.645 92 V HN 0.308 nan 8.190 nan 0.000 0.447 93 D N -0.447 120.009 120.400 0.093 0.000 2.158 93 D HA -0.168 4.472 4.640 0.000 0.000 0.197 93 D C 2.292 178.636 176.300 0.073 0.000 0.995 93 D CA 1.263 55.304 54.000 0.069 0.000 0.846 93 D CB -0.154 40.677 40.800 0.051 0.000 0.941 93 D HN 0.408 nan 8.370 nan 0.000 0.456 94 K N -0.326 120.123 120.400 0.082 0.000 2.116 94 K HA 0.073 4.393 4.320 0.000 0.000 0.203 94 K C 2.138 178.799 176.600 0.101 0.000 1.052 94 K CA 0.290 56.622 56.287 0.075 0.000 0.952 94 K CB 0.051 32.578 32.500 0.045 0.000 0.729 94 K HN 0.163 nan 8.250 nan 0.000 0.446 95 L N 0.979 122.267 121.223 0.108 0.000 2.056 95 L HA -0.197 4.144 4.340 0.000 0.000 0.207 95 L C 1.689 178.640 176.870 0.135 0.000 1.078 95 L CA 1.194 56.104 54.840 0.118 0.000 0.749 95 L CB -0.422 41.679 42.059 0.071 0.000 0.901 95 L HN 0.138 nan 8.230 nan 0.000 0.433 96 D N -0.768 119.689 120.400 0.095 0.000 2.149 96 D HA -0.191 4.449 4.640 0.000 0.000 0.198 96 D C 2.360 178.706 176.300 0.077 0.000 0.990 96 D CA 1.345 55.389 54.000 0.073 0.000 0.839 96 D CB 0.042 40.876 40.800 0.057 0.000 0.948 96 D HN 0.061 nan 8.370 nan 0.000 0.460 97 S N -1.394 114.362 115.700 0.094 0.000 2.436 97 S HA -0.067 4.403 4.470 0.000 0.000 0.228 97 S C 1.626 176.293 174.600 0.112 0.000 1.014 97 S CA 0.141 58.392 58.200 0.086 0.000 0.950 97 S CB -0.258 62.991 63.200 0.082 0.000 0.784 97 S HN 0.218 nan 8.310 nan 0.000 0.504 98 F N 2.368 122.314 119.950 -0.005 0.000 2.234 98 F HA 0.163 4.690 4.527 0.000 0.000 0.296 98 F C 2.176 177.980 175.800 0.006 0.000 1.089 98 F CA 1.651 59.643 58.000 -0.013 0.000 1.343 98 F CB -0.455 38.515 39.000 -0.049 0.000 1.040 98 F HN 0.289 nan 8.300 nan 0.000 0.498 99 E N 0.160 120.401 120.200 0.068 0.000 2.051 99 E HA -0.239 4.111 4.350 0.000 0.000 0.192 99 E C 2.393 178.953 176.600 -0.066 0.000 0.991 99 E CA 1.276 57.672 56.400 -0.008 0.000 0.799 99 E CB -0.155 29.576 29.700 0.051 0.000 0.748 99 E HN 0.348 nan 8.360 nan 0.000 0.449 100 R N 0.127 120.607 120.500 -0.034 0.000 2.127 100 R HA -0.177 4.163 4.340 0.000 0.000 0.238 100 R C 2.497 178.753 176.300 -0.073 0.000 1.134 100 R CA 1.564 57.643 56.100 -0.036 0.000 0.975 100 R CB -0.233 30.060 30.300 -0.010 0.000 0.865 100 R HN 0.375 nan 8.270 nan 0.000 0.447 101 Q N 0.574 120.293 119.800 -0.135 0.000 2.245 101 Q HA -0.058 4.283 4.340 0.000 0.000 0.201 101 Q C 1.995 177.873 176.000 -0.203 0.000 0.955 101 Q CA 0.726 56.427 55.803 -0.170 0.000 0.870 101 Q CB 0.226 28.822 28.738 -0.235 0.000 0.945 101 Q HN 0.356 nan 8.270 nan 0.000 0.461 102 L N 0.346 121.409 121.223 -0.266 0.000 2.049 102 L HA -0.140 4.200 4.340 0.000 0.000 0.203 102 L C 1.815 178.636 176.870 -0.081 0.000 1.074 102 L CA 0.843 55.566 54.840 -0.194 0.000 0.749 102 L CB -0.391 41.554 42.059 -0.191 0.000 0.907 102 L HN 0.140 nan 8.230 nan 0.000 0.439 103 D N -0.082 120.280 120.400 -0.063 0.000 2.271 103 D HA -0.226 4.414 4.640 0.000 0.000 0.207 103 D C 1.978 178.266 176.300 -0.019 0.000 0.983 103 D CA 1.088 55.070 54.000 -0.029 0.000 0.878 103 D CB 0.053 40.841 40.800 -0.020 0.000 0.920 103 D HN 0.409 nan 8.370 nan 0.000 0.479 104 E N -0.012 120.170 120.200 -0.029 0.000 2.216 104 E HA 0.003 4.354 4.350 0.000 0.000 0.192 104 E C 2.142 178.746 176.600 0.006 0.000 0.973 104 E CA -0.053 56.338 56.400 -0.015 0.000 0.851 104 E CB 0.194 29.880 29.700 -0.024 0.000 0.804 104 E HN 0.237 nan 8.360 nan 0.000 0.477 105 L N 0.574 121.810 121.223 0.021 0.000 2.376 105 L HA -0.005 4.335 4.340 0.000 0.000 0.219 105 L C 2.420 179.386 176.870 0.160 0.000 1.133 105 L CA 0.656 55.566 54.840 0.117 0.000 0.816 105 L CB -0.200 41.964 42.059 0.175 0.000 0.933 105 L HN 0.106 nan 8.230 nan 0.000 0.449 106 A N -0.404 122.455 122.820 0.065 0.000 2.125 106 A HA -0.137 4.183 4.320 0.000 0.000 0.219 106 A C 1.990 179.608 177.584 0.057 0.000 1.156 106 A CA 1.254 53.319 52.037 0.046 0.000 0.671 106 A CB -0.164 18.841 19.000 0.009 0.000 0.794 106 A HN 0.339 nan 8.150 nan 0.000 0.459 107 E N -0.642 119.590 120.200 0.054 0.000 2.460 107 E HA 0.023 4.373 4.350 0.000 0.000 0.200 107 E C 0.674 177.298 176.600 0.041 0.000 1.011 107 E CA -0.048 56.374 56.400 0.038 0.000 0.912 107 E CB -0.088 29.621 29.700 0.015 0.000 0.953 107 E HN 0.799 nan 8.360 nan 0.000 0.494 108 Q N 2.965 122.800 119.800 0.059 0.000 2.304 108 Q HA 0.112 4.453 4.340 0.000 0.000 0.260 108 Q C -2.238 173.813 176.000 0.085 0.000 0.965 108 Q CA -1.997 53.799 55.803 -0.012 0.000 0.898 108 Q CB 0.840 29.460 28.738 -0.196 0.000 1.196 108 Q HN -0.138 nan 8.270 nan 0.000 0.402 109 P HA -0.025 nan 4.420 nan 0.000 0.263 109 P C -2.241 175.191 177.300 0.221 0.000 1.195 109 P CA -0.924 62.236 63.100 0.100 0.000 0.762 109 P CB 0.758 32.484 31.700 0.044 0.000 0.799 110 P HA -0.239 nan 4.420 nan 0.000 0.217 110 P C 0.907 178.480 177.300 0.456 0.000 1.148 110 P CA 1.705 65.036 63.100 0.385 0.000 0.834 110 P CB -0.153 31.642 31.700 0.159 0.000 0.783 111 D N -0.522 120.042 120.400 0.273 0.000 2.378 111 D HA -0.145 4.495 4.640 0.000 0.000 0.227 111 D C 1.628 178.015 176.300 0.144 0.000 1.012 111 D CA 0.563 54.685 54.000 0.203 0.000 0.905 111 D CB -0.411 40.449 40.800 0.100 0.000 0.895 111 D HN 0.360 nan 8.370 nan 0.000 0.532 112 Q N -0.543 119.331 119.800 0.124 0.000 2.339 112 Q HA 0.088 4.428 4.340 0.000 0.000 0.205 112 Q C 0.039 176.019 176.000 -0.033 0.000 0.925 112 Q CA 0.112 55.891 55.803 -0.040 0.000 0.898 112 Q CB 0.232 28.846 28.738 -0.207 0.000 1.013 112 Q HN 0.233 nan 8.270 nan 0.000 0.504 113 F N 1.565 121.589 119.950 0.124 0.000 2.429 113 F HA 0.101 4.628 4.527 0.000 0.000 0.348 113 F C 1.190 177.108 175.800 0.196 0.000 1.109 113 F CA -0.387 57.704 58.000 0.151 0.000 1.232 113 F CB 0.559 39.663 39.000 0.173 0.000 1.157 113 F HN -0.150 nan 8.300 nan 0.000 0.564 114 T N 0.306 115.057 114.554 0.328 0.000 2.936 114 T HA 0.322 4.672 4.350 0.000 0.000 0.282 114 T C 0.799 175.690 174.700 0.319 0.000 1.003 114 T CA -0.862 61.357 62.100 0.199 0.000 1.005 114 T CB 1.235 70.158 68.868 0.091 0.000 1.097 114 T HN 0.535 nan 8.240 nan 0.000 0.532 115 L N 0.751 122.127 121.223 0.255 0.000 2.042 115 L HA -0.027 4.313 4.340 0.000 0.000 0.210 115 L C 1.869 178.866 176.870 0.211 0.000 1.076 115 L CA 2.035 57.078 54.840 0.337 0.000 0.749 115 L CB -1.410 40.776 42.059 0.213 0.000 0.893 115 L HN 0.749 nan 8.230 nan 0.000 0.432 116 D N -0.146 120.343 120.400 0.149 0.000 2.149 116 D HA -0.180 4.461 4.640 0.000 0.000 0.198 116 D C 1.807 178.194 176.300 0.144 0.000 0.990 116 D CA 1.379 55.452 54.000 0.120 0.000 0.839 116 D CB -0.201 40.650 40.800 0.085 0.000 0.948 116 D HN 0.442 nan 8.370 nan 0.000 0.460 117 D N -0.129 120.379 120.400 0.179 0.000 2.123 117 D HA -0.109 4.531 4.640 0.000 0.000 0.196 117 D C 2.251 178.684 176.300 0.221 0.000 0.992 117 D CA 0.609 54.734 54.000 0.208 0.000 0.833 117 D CB -0.201 40.767 40.800 0.279 0.000 0.954 117 D HN 0.143 nan 8.370 nan 0.000 0.455 118 V N 0.767 120.803 119.914 0.204 0.000 2.379 118 V HA -0.178 3.942 4.120 0.000 0.000 0.245 118 V C 2.346 178.551 176.094 0.185 0.000 1.044 118 V CA 1.151 63.540 62.300 0.149 0.000 1.036 118 V CB -0.447 31.385 31.823 0.015 0.000 0.664 118 V HN 0.030 nan 8.190 nan 0.000 0.453 119 K N 1.534 122.025 120.400 0.152 0.000 2.074 119 K HA -0.166 4.155 4.320 0.000 0.000 0.209 119 K C 2.034 178.735 176.600 0.168 0.000 1.048 119 K CA 1.962 58.334 56.287 0.143 0.000 0.926 119 K CB -0.767 31.799 32.500 0.110 0.000 0.713 119 K HN 0.427 nan 8.250 nan 0.000 0.444 120 A N 0.168 123.077 122.820 0.150 0.000 1.897 120 A HA -0.031 4.289 4.320 0.000 0.000 0.215 120 A C 2.254 179.925 177.584 0.146 0.000 1.181 120 A CA 1.229 53.341 52.037 0.125 0.000 0.620 120 A CB -0.605 18.462 19.000 0.111 0.000 0.821 120 A HN 0.320 nan 8.150 nan 0.000 0.443 121 L N -1.129 120.224 121.223 0.216 0.000 2.187 121 L HA -0.220 4.120 4.340 0.000 0.000 0.213 121 L C 2.643 179.651 176.870 0.230 0.000 1.100 121 L CA 1.617 56.638 54.840 0.302 0.000 0.765 121 L CB -0.378 41.910 42.059 0.382 0.000 0.904 121 L HN 0.657 nan 8.230 nan 0.000 0.437 122 H N -1.204 117.922 119.070 0.092 0.000 2.343 122 H HA -0.099 4.457 4.556 0.000 0.000 0.303 122 H C 2.283 177.504 175.328 -0.178 0.000 1.068 122 H CA 1.478 57.481 56.048 -0.075 0.000 1.359 122 H CB 0.429 30.229 29.762 0.064 0.000 1.402 122 H HN 0.257 nan 8.280 nan 0.000 0.515 123 S N 0.746 116.390 115.700 -0.093 0.000 2.370 123 S HA -0.157 4.313 4.470 0.000 0.000 0.226 123 S C 2.079 176.523 174.600 -0.259 0.000 1.033 123 S CA 1.497 59.592 58.200 -0.174 0.000 1.011 123 S CB -0.130 63.048 63.200 -0.036 0.000 0.852 123 S HN 0.424 nan 8.310 nan 0.000 0.457 124 K N 0.765 121.043 120.400 -0.204 0.000 2.026 124 K HA -0.077 4.244 4.320 0.000 0.000 0.208 124 K C 2.130 178.388 176.600 -0.570 0.000 1.048 124 K CA 1.135 57.272 56.287 -0.249 0.000 0.929 124 K CB -0.289 32.179 32.500 -0.053 0.000 0.713 124 K HN 0.220 nan 8.250 nan 0.000 0.439 125 L N 1.266 121.963 121.223 -0.876 0.000 2.093 125 L HA -0.106 4.234 4.340 0.000 0.000 0.208 125 L C 2.054 178.091 176.870 -1.388 0.000 1.085 125 L CA 2.318 56.313 54.840 -1.408 0.000 0.755 125 L CB -0.788 40.326 42.059 -1.575 0.000 0.904 125 L HN 0.428 nan 8.230 nan 0.000 0.435 126 T N -4.238 109.713 114.554 -1.007 0.000 2.995 126 T HA -0.103 4.247 4.350 0.000 0.000 0.269 126 T C 2.036 176.485 174.700 -0.418 0.000 1.091 126 T CA 1.100 62.767 62.100 -0.722 0.000 1.128 126 T CB -0.554 68.001 68.868 -0.520 0.000 0.891 126 T HN 0.331 nan 8.240 nan 0.000 0.492 127 S N 0.590 116.049 115.700 -0.402 0.000 2.387 127 S HA -0.033 4.437 4.470 0.000 0.000 0.226 127 S C 1.971 176.452 174.600 -0.199 0.000 1.026 127 S CA 0.772 58.833 58.200 -0.232 0.000 0.972 127 S CB -0.521 62.559 63.200 -0.201 0.000 0.814 127 S HN 0.398 nan 8.310 nan 0.000 0.477 128 V N 1.205 120.924 119.914 -0.325 0.000 2.667 128 V HA -0.007 4.113 4.120 0.000 0.000 0.252 128 V C 1.839 177.944 176.094 0.019 0.000 1.065 128 V CA 1.347 63.529 62.300 -0.196 0.000 1.083 128 V CB -0.857 30.779 31.823 -0.313 0.000 0.692 128 V HN 0.570 nan 8.190 nan 0.000 0.468 129 F N 0.422 120.302 119.950 -0.117 0.000 2.259 129 F HA -0.077 4.450 4.527 0.000 0.000 0.298 129 F C 2.487 178.274 175.800 -0.022 0.000 1.088 129 F CA 0.607 58.579 58.000 -0.046 0.000 1.358 129 F CB -0.250 38.687 39.000 -0.104 0.000 1.040 129 F HN 0.186 nan 8.300 nan 0.000 0.505 130 A N -0.279 122.616 122.820 0.125 0.000 2.015 130 A HA -0.133 4.187 4.320 0.000 0.000 0.219 130 A C 2.064 179.668 177.584 0.035 0.000 1.163 130 A CA 1.813 53.884 52.037 0.056 0.000 0.646 130 A CB -1.067 17.937 19.000 0.007 0.000 0.806 130 A HN 0.258 nan 8.150 nan 0.000 0.448 131 T N -0.517 114.056 114.554 0.031 0.000 2.759 131 T HA -0.054 4.296 4.350 0.000 0.000 0.269 131 T C 0.688 175.383 174.700 -0.008 0.000 1.042 131 T CA 1.428 63.533 62.100 0.008 0.000 1.140 131 T CB -0.220 68.653 68.868 0.009 0.000 0.864 131 T HN 0.079 nan 8.240 nan 0.000 0.455 132 V N 5.013 124.925 119.914 -0.003 0.000 2.247 132 V HA 0.236 4.356 4.120 0.000 0.000 0.262 132 V C -2.135 173.962 176.094 0.005 0.000 1.096 132 V CA -2.063 60.191 62.300 -0.076 0.000 0.895 132 V CB 0.432 32.054 31.823 -0.335 0.000 1.141 132 V HN 0.275 nan 8.190 nan 0.000 0.478 133 P HA 0.011 nan 4.420 nan 0.000 0.262 133 P C -0.468 176.855 177.300 0.040 0.000 1.182 133 P CA -0.060 63.049 63.100 0.015 0.000 0.761 133 P CB 0.671 32.364 31.700 -0.011 0.000 0.795 134 Q N 3.339 123.176 119.800 0.061 0.000 2.286 134 Q HA 0.276 4.616 4.340 0.000 0.000 0.265 134 Q C 0.456 176.439 176.000 -0.028 0.000 1.080 134 Q CA 0.379 56.240 55.803 0.096 0.000 0.906 134 Q CB 0.203 28.996 28.738 0.091 0.000 1.227 134 Q HN 0.498 nan 8.270 nan 0.000 0.409 135 I N 1.292 121.751 120.570 -0.185 0.000 2.910 135 I HA 0.285 4.455 4.170 0.000 0.000 0.310 135 I C 0.582 176.508 176.117 -0.317 0.000 1.043 135 I CA -0.901 60.243 61.300 -0.261 0.000 1.053 135 I CB 1.553 39.362 38.000 -0.318 0.000 1.242 135 I HN 0.384 nan 8.210 nan 0.000 0.452 136 N N 2.831 121.407 118.700 -0.207 0.000 2.610 136 N HA 0.221 4.962 4.740 0.000 0.000 0.309 136 N C -0.974 174.456 175.510 -0.132 0.000 1.536 136 N CA -0.131 52.834 53.050 -0.142 0.000 0.954 136 N CB 0.189 38.636 38.487 -0.067 0.000 1.310 136 N HN 0.568 nan 8.380 nan 0.000 0.502 137 N N 1.335 119.917 118.700 -0.198 0.000 2.408 137 N HA 0.232 4.972 4.740 0.000 0.000 0.257 137 N C 0.346 175.812 175.510 -0.072 0.000 1.064 137 N CA -0.400 52.574 53.050 -0.128 0.000 0.952 137 N CB 1.420 39.819 38.487 -0.148 0.000 1.093 137 N HN 0.156 nan 8.380 nan 0.000 0.490 138 I N 3.010 123.559 120.570 -0.035 0.000 3.581 138 I HA -0.255 3.915 4.170 0.000 0.000 0.304 138 I C 0.146 176.275 176.117 0.020 0.000 1.244 138 I CA 0.768 62.066 61.300 -0.003 0.000 1.418 138 I CB -0.730 37.268 38.000 -0.004 0.000 1.503 138 I HN 0.601 nan 8.210 nan 0.000 0.571 139 D N 4.189 124.623 120.400 0.057 0.000 2.886 139 D HA -0.147 4.493 4.640 0.000 0.000 0.221 139 D C 0.665 177.018 176.300 0.088 0.000 1.227 139 D CA 0.633 54.688 54.000 0.092 0.000 0.746 139 D CB -0.049 40.789 40.800 0.063 0.000 0.935 139 D HN 0.583 nan 8.370 nan 0.000 0.399 140 S N 0.582 116.350 115.700 0.114 0.000 2.423 140 S HA 0.017 4.488 4.470 0.000 0.000 0.244 140 S C 1.536 176.210 174.600 0.124 0.000 1.267 140 S CA -0.326 57.928 58.200 0.090 0.000 0.988 140 S CB 0.290 63.533 63.200 0.071 0.000 0.978 140 S HN 0.311 nan 8.310 nan 0.000 0.506 141 Q N -0.275 119.594 119.800 0.114 0.000 2.515 141 Q HA 0.132 4.473 4.340 0.000 0.000 0.214 141 Q C 0.897 176.988 176.000 0.152 0.000 0.971 141 Q CA 0.282 56.147 55.803 0.102 0.000 0.952 141 Q CB -0.459 28.325 28.738 0.076 0.000 0.999 141 Q HN 0.582 nan 8.270 nan 0.000 0.524 142 Y N 0.471 120.793 120.300 0.037 0.000 2.274 142 Y HA -0.211 4.339 4.550 0.000 0.000 0.290 142 Y C 2.006 177.969 175.900 0.105 0.000 1.145 142 Y CA 1.122 59.260 58.100 0.062 0.000 1.203 142 Y CB -0.208 38.266 38.460 0.023 0.000 0.984 142 Y HN 0.209 nan 8.280 nan 0.000 0.533 143 A N -0.125 122.756 122.820 0.102 0.000 1.898 143 A HA -0.055 4.265 4.320 0.000 0.000 0.216 143 A C 2.454 180.028 177.584 -0.018 0.000 1.181 143 A CA 1.554 53.603 52.037 0.020 0.000 0.620 143 A CB -1.372 17.655 19.000 0.044 0.000 0.819 143 A HN 0.475 nan 8.150 nan 0.000 0.442 144 A N -1.410 121.422 122.820 0.020 0.000 1.948 144 A HA -0.180 4.140 4.320 0.000 0.000 0.220 144 A C 2.132 179.711 177.584 -0.010 0.000 1.177 144 A CA 1.834 53.879 52.037 0.012 0.000 0.636 144 A CB -0.772 18.253 19.000 0.041 0.000 0.815 144 A HN 0.795 nan 8.150 nan 0.000 0.449 145 Y N 1.070 121.292 120.300 -0.130 0.000 2.220 145 Y HA -0.130 4.420 4.550 0.000 0.000 0.291 145 Y C 2.196 177.962 175.900 -0.223 0.000 1.129 145 Y CA 1.784 59.779 58.100 -0.174 0.000 1.161 145 Y CB -0.188 38.126 38.460 -0.243 0.000 0.997 145 Y HN 0.313 nan 8.280 nan 0.000 0.522 146 N N 0.712 119.215 118.700 -0.329 0.000 2.120 146 N HA -0.159 4.581 4.740 0.000 0.000 0.188 146 N C 1.639 176.976 175.510 -0.288 0.000 1.024 146 N CA 1.689 54.520 53.050 -0.365 0.000 0.852 146 N CB -0.267 38.079 38.487 -0.236 0.000 1.003 146 N HN 0.442 nan 8.380 nan 0.000 0.424 147 K N 0.716 121.004 120.400 -0.187 0.000 2.002 147 K HA -0.106 4.214 4.320 0.000 0.000 0.209 147 K C 2.017 178.530 176.600 -0.145 0.000 1.048 147 K CA 0.781 56.991 56.287 -0.128 0.000 0.930 147 K CB -0.358 32.097 32.500 -0.074 0.000 0.714 147 K HN 0.014 nan 8.250 nan 0.000 0.438 148 L N 2.086 123.207 121.223 -0.170 0.000 2.042 148 L HA -0.192 4.148 4.340 0.000 0.000 0.210 148 L C 2.180 178.930 176.870 -0.201 0.000 1.076 148 L CA 1.828 56.577 54.840 -0.151 0.000 0.749 148 L CB -0.390 41.587 42.059 -0.138 0.000 0.893 148 L HN 0.069 nan 8.230 nan 0.000 0.432 149 K N -1.002 119.167 120.400 -0.385 0.000 1.991 149 K HA -0.227 4.094 4.320 0.000 0.000 0.212 149 K C 2.344 178.818 176.600 -0.210 0.000 1.049 149 K CA 1.800 57.852 56.287 -0.391 0.000 0.932 149 K CB -0.431 31.666 32.500 -0.671 0.000 0.717 149 K HN 0.482 nan 8.250 nan 0.000 0.441 150 S N 0.931 116.508 115.700 -0.205 0.000 2.359 150 S HA -0.257 4.213 4.470 0.000 0.000 0.222 150 S C 2.018 176.591 174.600 -0.045 0.000 1.038 150 S CA 2.224 60.353 58.200 -0.118 0.000 1.051 150 S CB -0.399 62.740 63.200 -0.101 0.000 0.944 150 S HN 0.431 nan 8.310 nan 0.000 0.433 151 K N -0.003 120.372 120.400 -0.042 0.000 2.089 151 K HA -0.124 4.196 4.320 0.000 0.000 0.210 151 K C 1.889 178.510 176.600 0.035 0.000 1.048 151 K CA 2.034 58.319 56.287 -0.004 0.000 0.926 151 K CB -0.416 32.076 32.500 -0.013 0.000 0.714 151 K HN 0.367 nan 8.250 nan 0.000 0.448 152 V N 0.675 120.616 119.914 0.045 0.000 2.667 152 V HA -0.163 3.957 4.120 0.000 0.000 0.252 152 V C 2.061 178.264 176.094 0.182 0.000 1.065 152 V CA 2.042 64.415 62.300 0.123 0.000 1.083 152 V CB -0.254 31.660 31.823 0.152 0.000 0.692 152 V HN 0.488 nan 8.190 nan 0.000 0.468 153 T N 0.404 115.043 114.554 0.141 0.000 2.732 153 T HA -0.074 4.276 4.350 0.000 0.000 0.261 153 T C 2.013 176.817 174.700 0.174 0.000 1.040 153 T CA 1.472 63.676 62.100 0.174 0.000 1.145 153 T CB -0.684 68.234 68.868 0.084 0.000 0.866 153 T HN 0.572 nan 8.240 nan 0.000 0.427 154 G N 1.537 110.395 108.800 0.098 0.000 2.469 154 G HA2 -0.306 3.654 3.960 0.000 0.000 0.220 154 G HA3 -0.306 3.654 3.960 0.000 0.000 0.220 154 G C 1.495 176.457 174.900 0.103 0.000 1.136 154 G CA 1.316 46.471 45.100 0.092 0.000 0.759 154 G HN 0.490 nan 8.290 nan 0.000 0.562 155 K N -0.691 119.775 120.400 0.111 0.000 2.103 155 K HA -0.091 4.229 4.320 0.000 0.000 0.204 155 K C 2.158 178.827 176.600 0.114 0.000 1.052 155 K CA 0.975 57.316 56.287 0.089 0.000 0.945 155 K CB -0.324 32.223 32.500 0.078 0.000 0.722 155 K HN 0.402 nan 8.250 nan 0.000 0.443 156 Y N 1.499 121.835 120.300 0.059 0.000 2.200 156 Y HA -0.151 4.399 4.550 0.000 0.000 0.290 156 Y C 1.685 177.602 175.900 0.029 0.000 1.137 156 Y CA 1.627 59.767 58.100 0.066 0.000 1.163 156 Y CB -0.241 38.316 38.460 0.162 0.000 0.988 156 Y HN 0.146 nan 8.280 nan 0.000 0.518 157 N N 0.729 119.457 118.700 0.046 0.000 2.084 157 N HA -0.178 4.562 4.740 0.000 0.000 0.190 157 N C 1.457 176.934 175.510 -0.054 0.000 1.030 157 N CA 1.728 54.769 53.050 -0.016 0.000 0.849 157 N CB -0.692 37.895 38.487 0.167 0.000 1.012 157 N HN 0.572 nan 8.380 nan 0.000 0.423 158 D N 0.212 120.605 120.400 -0.012 0.000 2.096 158 D HA -0.040 4.600 4.640 0.000 0.000 0.207 158 D C 1.829 178.064 176.300 -0.109 0.000 0.976 158 D CA 0.930 54.912 54.000 -0.030 0.000 0.875 158 D CB -0.228 40.578 40.800 0.011 0.000 1.009 158 D HN -0.106 nan 8.370 nan 0.000 0.449 159 V N 0.736 120.593 119.914 -0.095 0.000 2.660 159 V HA -0.181 3.939 4.120 0.000 0.000 0.257 159 V C 1.917 177.871 176.094 -0.235 0.000 1.088 159 V CA 0.965 63.191 62.300 -0.122 0.000 1.106 159 V CB -0.313 31.470 31.823 -0.068 0.000 0.686 159 V HN 0.367 nan 8.190 nan 0.000 0.481 160 I N -1.662 118.704 120.570 -0.340 0.000 3.523 160 I HA 0.092 4.262 4.170 0.000 0.000 0.244 160 I C 2.098 177.857 176.117 -0.596 0.000 1.110 160 I CA 0.617 61.602 61.300 -0.524 0.000 1.517 160 I CB -0.480 37.189 38.000 -0.552 0.000 1.505 160 I HN 0.114 nan 8.210 nan 0.000 0.460 161 I N 0.997 121.211 120.570 -0.594 0.000 2.133 161 I HA -0.211 3.959 4.170 0.000 0.000 0.238 161 I C 2.583 178.426 176.117 -0.458 0.000 1.074 161 I CA 1.417 62.418 61.300 -0.498 0.000 1.342 161 I CB -1.424 36.385 38.000 -0.317 0.000 1.053 161 I HN 0.333 nan 8.210 nan 0.000 0.404 162 Q N 0.917 120.547 119.800 -0.283 0.000 1.998 162 Q HA -0.238 4.102 4.340 0.000 0.000 0.209 162 Q C 2.465 178.210 176.000 -0.425 0.000 1.002 162 Q CA 1.887 57.549 55.803 -0.235 0.000 0.858 162 Q CB -0.364 28.333 28.738 -0.068 0.000 0.932 162 Q HN 0.417 nan 8.270 nan 0.000 0.416 163 R N -0.192 120.099 120.500 -0.348 0.000 2.094 163 R HA -0.134 4.206 4.340 0.000 0.000 0.239 163 R C 2.532 178.558 176.300 -0.456 0.000 1.137 163 R CA 1.548 57.449 56.100 -0.331 0.000 0.943 163 R CB -0.418 29.730 30.300 -0.252 0.000 0.850 163 R HN 0.279 nan 8.270 nan 0.000 0.433 164 L N -0.308 120.544 121.223 -0.619 0.000 2.056 164 L HA -0.120 4.220 4.340 0.000 0.000 0.207 164 L C 2.706 178.936 176.870 -1.068 0.000 1.078 164 L CA 1.182 55.516 54.840 -0.843 0.000 0.749 164 L CB -0.838 40.545 42.059 -1.126 0.000 0.901 164 L HN 0.283 nan 8.230 nan 0.000 0.433 165 A N 0.244 122.397 122.820 -1.111 0.000 1.873 165 A HA -0.248 4.072 4.320 0.000 0.000 0.218 165 A C 2.405 179.295 177.584 -1.156 0.000 1.193 165 A CA 2.652 53.875 52.037 -1.356 0.000 0.629 165 A CB -1.061 16.603 19.000 -2.227 0.000 0.826 165 A HN 0.372 nan 8.150 nan 0.000 0.447 166 T N 0.308 114.194 114.554 -1.113 0.000 2.595 166 T HA -0.212 4.138 4.350 0.000 0.000 0.264 166 T C 2.066 176.646 174.700 -0.200 0.000 1.058 166 T CA 1.526 63.293 62.100 -0.556 0.000 1.166 166 T CB -0.518 68.157 68.868 -0.322 0.000 0.863 166 T HN 0.645 nan 8.240 nan 0.000 0.415 167 N N -0.089 118.509 118.700 -0.170 0.000 2.021 167 N HA -0.177 4.563 4.740 0.000 0.000 0.198 167 N C 1.757 177.388 175.510 0.202 0.000 1.041 167 N CA 1.876 54.947 53.050 0.034 0.000 0.862 167 N CB -0.354 38.177 38.487 0.073 0.000 1.048 167 N HN 0.428 nan 8.380 nan 0.000 0.427 168 W N 1.281 122.527 121.300 -0.089 0.000 2.363 168 W HA 0.047 4.708 4.660 0.000 0.000 0.296 168 W C 3.024 179.569 176.519 0.042 0.000 1.212 168 W CA 0.745 58.068 57.345 -0.037 0.000 1.260 168 W CB -1.563 27.842 29.460 -0.091 0.000 1.131 168 W HN 0.114 nan 8.180 nan 0.000 0.530 169 S N 0.345 116.192 115.700 0.245 0.000 2.382 169 S HA -0.171 4.300 4.470 0.000 0.000 0.228 169 S C 1.751 176.525 174.600 0.290 0.000 1.027 169 S CA 1.677 60.059 58.200 0.302 0.000 0.991 169 S CB -0.316 63.078 63.200 0.323 0.000 0.823 169 S HN 0.180 nan 8.310 nan 0.000 0.469 170 N N 0.736 119.563 118.700 0.211 0.000 2.250 170 N HA -0.006 4.734 4.740 0.000 0.000 0.181 170 N C 1.691 177.306 175.510 0.175 0.000 1.017 170 N CA 1.553 54.708 53.050 0.174 0.000 0.866 170 N CB -1.125 37.440 38.487 0.131 0.000 0.985 170 N HN 0.374 nan 8.380 nan 0.000 0.429 171 T N 0.731 115.401 114.554 0.193 0.000 2.962 171 T HA -0.064 4.286 4.350 0.000 0.000 0.270 171 T C 1.425 176.269 174.700 0.240 0.000 1.088 171 T CA 0.508 62.714 62.100 0.177 0.000 1.127 171 T CB -0.190 68.767 68.868 0.148 0.000 0.883 171 T HN 0.150 nan 8.240 nan 0.000 0.493 172 F N 2.960 122.970 119.950 0.100 0.000 2.219 172 F HA 0.059 4.586 4.527 0.000 0.000 0.294 172 F C 1.740 177.601 175.800 0.101 0.000 1.086 172 F CA 0.787 58.841 58.000 0.090 0.000 1.330 172 F CB -0.377 38.678 39.000 0.091 0.000 1.047 172 F HN 0.205 nan 8.300 nan 0.000 0.495 173 D N -0.690 119.722 120.400 0.019 0.000 2.269 173 D HA -0.183 4.457 4.640 0.000 0.000 0.208 173 D C 1.806 178.098 176.300 -0.013 0.000 0.963 173 D CA 0.771 54.721 54.000 -0.083 0.000 0.864 173 D CB -0.778 40.050 40.800 0.047 0.000 0.936 173 D HN 0.282 nan 8.370 nan 0.000 0.505 174 Q N 0.468 120.295 119.800 0.045 0.000 2.311 174 Q HA -0.002 4.339 4.340 0.000 0.000 0.203 174 Q C 1.794 177.827 176.000 0.054 0.000 0.954 174 Q CA 1.183 57.022 55.803 0.059 0.000 0.885 174 Q CB -0.068 28.716 28.738 0.077 0.000 0.963 174 Q HN 0.383 nan 8.270 nan 0.000 0.471 175 K N -1.026 119.399 120.400 0.043 0.000 2.314 175 K HA 0.105 4.426 4.320 0.000 0.000 0.198 175 K C 1.455 178.079 176.600 0.039 0.000 1.045 175 K CA 0.237 56.563 56.287 0.066 0.000 0.988 175 K CB 0.188 32.768 32.500 0.133 0.000 0.783 175 K HN 0.230 nan 8.250 nan 0.000 0.484 176 L N 0.720 121.908 121.223 -0.059 0.000 2.240 176 L HA -0.045 4.296 4.340 0.000 0.000 0.211 176 L C 2.017 178.987 176.870 0.166 0.000 1.106 176 L CA 0.471 55.328 54.840 0.029 0.000 0.793 176 L CB -0.099 41.874 42.059 -0.143 0.000 0.927 176 L HN 0.204 nan 8.230 nan 0.000 0.446 177 L N -0.500 120.780 121.223 0.095 0.000 2.044 177 L HA -0.175 4.166 4.340 0.000 0.000 0.205 177 L C 2.497 179.421 176.870 0.090 0.000 1.075 177 L CA 1.311 56.203 54.840 0.087 0.000 0.747 177 L CB -0.300 41.795 42.059 0.060 0.000 0.903 177 L HN 0.273 nan 8.230 nan 0.000 0.435 178 E N 0.099 120.353 120.200 0.090 0.000 2.058 178 E HA -0.238 4.112 4.350 0.000 0.000 0.194 178 E C 2.140 178.819 176.600 0.132 0.000 0.997 178 E CA 1.268 57.723 56.400 0.093 0.000 0.801 178 E CB -0.149 29.601 29.700 0.084 0.000 0.746 178 E HN 0.480 nan 8.360 nan 0.000 0.450 179 A N 0.739 123.668 122.820 0.181 0.000 2.121 179 A HA -0.176 4.145 4.320 0.000 0.000 0.218 179 A C 0.687 178.460 177.584 0.314 0.000 1.154 179 A CA 0.638 52.844 52.037 0.281 0.000 0.679 179 A CB -0.326 18.879 19.000 0.343 0.000 0.795 179 A HN 0.302 nan 8.150 nan 0.000 0.458 180 Q N -0.880 119.036 119.800 0.193 0.000 2.423 180 Q HA -0.229 4.112 4.340 0.000 0.000 0.332 180 Q C 0.650 176.674 176.000 0.039 0.000 1.355 180 Q CA 0.638 56.495 55.803 0.089 0.000 0.947 180 Q CB -2.097 26.700 28.738 0.098 0.000 1.189 180 Q HN 1.035 nan 8.270 nan 0.000 0.418 181 W N 1.426 122.653 121.300 -0.122 0.000 2.374 181 W HA -0.140 4.520 4.660 0.000 0.000 0.288 181 W C 0.687 177.019 176.519 -0.310 0.000 1.218 181 W CA 1.540 58.511 57.345 -0.622 0.000 1.245 181 W CB -0.466 28.504 29.460 -0.816 0.000 1.126 181 W HN 0.410 nan 8.180 nan 0.000 0.545 182 D N 1.252 120.871 120.400 -1.301 0.000 2.690 182 D HA 0.131 4.771 4.640 0.000 0.000 0.236 182 D C -0.227 175.842 176.300 -0.384 0.000 1.218 182 D CA 0.167 53.531 54.000 -1.061 0.000 0.829 182 D CB -0.167 39.855 40.800 -1.296 0.000 1.009 182 D HN -0.164 nan 8.370 nan 0.000 0.482 183 T N -0.291 114.149 114.554 -0.190 0.000 2.838 183 T HA 0.220 4.570 4.350 0.000 0.000 0.292 183 T C 0.833 175.565 174.700 0.053 0.000 1.113 183 T CA -0.594 61.487 62.100 -0.032 0.000 1.008 183 T CB 2.274 71.144 68.868 0.003 0.000 1.259 183 T HN -0.074 nan 8.240 nan 0.000 0.520 184 Q N 0.102 119.940 119.800 0.062 0.000 2.425 184 Q HA 0.090 4.431 4.340 0.000 0.000 0.204 184 Q C 1.343 177.401 176.000 0.096 0.000 0.933 184 Q CA 0.346 56.198 55.803 0.082 0.000 0.939 184 Q CB 0.215 28.985 28.738 0.054 0.000 1.044 184 Q HN 0.259 nan 8.270 nan 0.000 0.513 185 K N 0.585 121.045 120.400 0.101 0.000 2.296 185 K HA -0.016 4.304 4.320 0.000 0.000 0.200 185 K C 0.499 177.184 176.600 0.140 0.000 1.048 185 K CA 0.059 56.402 56.287 0.093 0.000 0.966 185 K CB -0.344 32.203 32.500 0.078 0.000 0.754 185 K HN 0.114 nan 8.250 nan 0.000 0.466 186 F N 2.686 122.657 119.950 0.034 0.000 2.569 186 F HA -0.006 4.521 4.527 0.000 0.000 0.395 186 F C 0.641 176.471 175.800 0.049 0.000 1.028 186 F CA -0.993 57.043 58.000 0.061 0.000 1.158 186 F CB 0.225 39.283 39.000 0.096 0.000 1.023 186 F HN 0.028 nan 8.300 nan 0.000 0.547 187 A N 5.231 127.758 122.820 -0.488 0.000 3.004 187 A HA 0.187 4.507 4.320 0.000 0.000 0.252 187 A C 1.616 178.692 177.584 -0.846 0.000 1.802 187 A CA 0.501 52.239 52.037 -0.498 0.000 1.424 187 A CB -1.481 17.365 19.000 -0.258 0.000 1.005 187 A HN 0.975 nan 8.150 nan 0.000 0.631 188 S N 0.130 115.215 115.700 -1.025 0.000 2.441 188 S HA -0.217 4.253 4.470 0.000 0.000 0.242 188 S C 1.519 175.935 174.600 -0.306 0.000 1.018 188 S CA 1.975 59.743 58.200 -0.720 0.000 0.988 188 S CB -0.935 62.155 63.200 -0.184 0.000 0.778 188 S HN 0.993 nan 8.310 nan 0.000 0.498 189 T N -2.226 112.185 114.554 -0.238 0.000 3.122 189 T HA 0.305 4.656 4.350 0.000 0.000 0.250 189 T C 1.440 176.067 174.700 -0.121 0.000 1.067 189 T CA 0.470 62.492 62.100 -0.131 0.000 0.966 189 T CB -0.005 68.810 68.868 -0.089 0.000 1.002 189 T HN 0.287 nan 8.240 nan 0.000 0.542 190 S N 0.409 116.009 115.700 -0.167 0.000 2.442 190 S HA -0.060 4.410 4.470 0.000 0.000 0.236 190 S C 1.794 176.350 174.600 -0.072 0.000 1.007 190 S CA 0.976 59.109 58.200 -0.112 0.000 0.965 190 S CB -0.697 62.429 63.200 -0.124 0.000 0.773 190 S HN 0.551 nan 8.310 nan 0.000 0.504 191 V N -0.661 119.209 119.914 -0.074 0.000 0.474 191 V HA -0.402 3.718 4.120 0.000 0.000 0.092 191 V C 1.974 178.053 176.094 -0.025 0.000 2.443 191 V CA 2.193 64.469 62.300 -0.040 0.000 3.665 191 V CB -2.069 29.735 31.823 -0.031 0.000 0.947 191 V HN 0.570 nan 8.190 nan 0.000 0.992 192 G N -1.525 107.261 108.800 -0.024 0.000 2.421 192 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 192 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 192 G C 1.172 176.072 174.900 0.001 0.000 1.143 192 G CA 1.077 46.170 45.100 -0.011 0.000 0.784 192 G HN 0.556 nan 8.290 nan 0.000 0.541 193 L N 0.702 121.926 121.223 0.002 0.000 2.027 193 L HA 0.059 4.399 4.340 0.000 0.000 0.206 193 L C 2.927 179.838 176.870 0.069 0.000 1.074 193 L CA 1.220 56.086 54.840 0.043 0.000 0.745 193 L CB -0.451 41.631 42.059 0.037 0.000 0.898 193 L HN 0.068 nan 8.230 nan 0.000 0.433 194 V N -0.008 119.935 119.914 0.048 0.000 2.233 194 V HA -0.362 3.759 4.120 0.000 0.000 0.247 194 V C 2.593 178.666 176.094 -0.034 0.000 1.050 194 V CA 2.222 64.543 62.300 0.036 0.000 1.010 194 V CB -0.688 31.147 31.823 0.021 0.000 0.637 194 V HN 0.452 nan 8.190 nan 0.000 0.444 195 K N -0.865 119.522 120.400 -0.023 0.000 2.152 195 K HA -0.255 4.065 4.320 0.000 0.000 0.206 195 K C 2.272 178.864 176.600 -0.013 0.000 1.048 195 K CA 1.715 57.985 56.287 -0.028 0.000 0.933 195 K CB -0.655 31.832 32.500 -0.020 0.000 0.721 195 K HN 0.639 nan 8.250 nan 0.000 0.447 196 C N 1.167 120.474 119.300 0.012 0.000 2.432 196 C HA -0.068 4.392 4.460 0.000 0.000 0.277 196 C C 2.479 177.510 174.990 0.068 0.000 1.249 196 C CA 0.558 59.596 59.018 0.033 0.000 1.725 196 C CB -0.923 26.849 27.740 0.052 0.000 2.028 196 C HN 0.398 nan 8.230 nan 0.000 0.477 197 L N 0.529 121.809 121.223 0.095 0.000 2.083 197 L HA -0.113 4.228 4.340 0.000 0.000 0.209 197 L C 2.923 179.910 176.870 0.195 0.000 1.083 197 L CA 1.944 56.911 54.840 0.211 0.000 0.752 197 L CB -0.821 41.288 42.059 0.083 0.000 0.899 197 L HN 0.426 nan 8.230 nan 0.000 0.433 198 R N 0.609 121.106 120.500 -0.004 0.000 2.073 198 R HA -0.185 4.156 4.340 0.000 0.000 0.234 198 R C 2.137 178.443 176.300 0.011 0.000 1.134 198 R CA 1.587 57.693 56.100 0.010 0.000 0.952 198 R CB -0.108 30.146 30.300 -0.077 0.000 0.850 198 R HN 0.326 nan 8.270 nan 0.000 0.433 199 E N 0.004 120.190 120.200 -0.023 0.000 2.085 199 E HA -0.211 4.139 4.350 0.000 0.000 0.194 199 E C 1.818 178.346 176.600 -0.120 0.000 0.994 199 E CA 1.184 57.552 56.400 -0.054 0.000 0.801 199 E CB -0.127 29.544 29.700 -0.048 0.000 0.743 199 E HN 0.374 nan 8.360 nan 0.000 0.453 200 N N 0.157 118.752 118.700 -0.175 0.000 2.223 200 N HA -0.126 4.614 4.740 0.000 0.000 0.185 200 N C 1.851 176.907 175.510 -0.757 0.000 1.016 200 N CA 0.832 53.605 53.050 -0.462 0.000 0.863 200 N CB -0.133 38.046 38.487 -0.514 0.000 0.983 200 N HN 0.001 nan 8.380 nan 0.000 0.429 201 S N -0.104 115.294 115.700 -0.504 0.000 2.335 201 S HA -0.097 4.373 4.470 0.000 0.000 0.216 201 S C 1.875 176.356 174.600 -0.199 0.000 1.032 201 S CA 1.912 59.889 58.200 -0.372 0.000 1.000 201 S CB -0.643 62.528 63.200 -0.048 0.000 0.928 201 S HN 0.354 nan 8.310 nan 0.000 0.434 202 T N 2.360 116.861 114.554 -0.088 0.000 2.624 202 T HA -0.218 4.132 4.350 0.000 0.000 0.268 202 T C 1.866 176.604 174.700 0.063 0.000 1.041 202 T CA 2.012 64.126 62.100 0.024 0.000 1.159 202 T CB -0.569 68.310 68.868 0.017 0.000 0.863 202 T HN 0.522 nan 8.240 nan 0.000 0.434 203 K N 0.201 120.596 120.400 -0.008 0.000 2.034 203 K HA -0.170 4.150 4.320 0.000 0.000 0.214 203 K C 2.237 178.923 176.600 0.143 0.000 1.051 203 K CA 1.454 57.769 56.287 0.046 0.000 0.931 203 K CB -0.371 32.104 32.500 -0.041 0.000 0.715 203 K HN 0.134 nan 8.250 nan 0.000 0.446 204 L N 0.538 121.806 121.223 0.076 0.000 2.093 204 L HA -0.144 4.196 4.340 0.000 0.000 0.208 204 L C 2.155 179.107 176.870 0.137 0.000 1.085 204 L CA 1.570 56.488 54.840 0.130 0.000 0.755 204 L CB -0.870 41.208 42.059 0.031 0.000 0.904 204 L HN 0.307 nan 8.230 nan 0.000 0.435 205 Y N 0.100 120.389 120.300 -0.019 0.000 2.224 205 Y HA -0.269 4.282 4.550 0.000 0.000 0.289 205 Y C 2.460 178.391 175.900 0.051 0.000 1.146 205 Y CA 1.937 60.045 58.100 0.013 0.000 1.182 205 Y CB -0.169 38.279 38.460 -0.021 0.000 0.983 205 Y HN 0.379 nan 8.280 nan 0.000 0.524 206 Q N -0.751 119.038 119.800 -0.018 0.000 2.083 206 Q HA -0.130 4.211 4.340 0.000 0.000 0.198 206 Q C 2.220 178.162 176.000 -0.096 0.000 0.969 206 Q CA 1.347 57.086 55.803 -0.107 0.000 0.838 206 Q CB -0.415 28.331 28.738 0.013 0.000 0.900 206 Q HN 0.497 nan 8.270 nan 0.000 0.436 207 L N 0.866 122.069 121.223 -0.034 0.000 2.079 207 L HA -0.175 4.166 4.340 0.000 0.000 0.210 207 L C 2.091 178.891 176.870 -0.118 0.000 1.081 207 L CA 1.776 56.542 54.840 -0.123 0.000 0.752 207 L CB -0.597 41.299 42.059 -0.273 0.000 0.896 207 L HN -0.011 nan 8.230 nan 0.000 0.433 208 S N -0.362 115.316 115.700 -0.037 0.000 2.368 208 S HA -0.105 4.365 4.470 0.000 0.000 0.225 208 S C 1.805 176.405 174.600 -0.001 0.000 1.030 208 S CA 1.641 59.884 58.200 0.072 0.000 0.999 208 S CB -0.448 62.838 63.200 0.142 0.000 0.844 208 S HN 0.518 nan 8.310 nan 0.000 0.459 209 L N 1.175 122.313 121.223 -0.141 0.000 2.551 209 L HA 0.096 4.436 4.340 0.000 0.000 0.228 209 L C 1.359 178.171 176.870 -0.096 0.000 1.153 209 L CA 0.384 55.149 54.840 -0.125 0.000 0.851 209 L CB -0.415 41.491 42.059 -0.256 0.000 0.959 209 L HN 0.278 nan 8.230 nan 0.000 0.451 210 L N -1.027 120.117 121.223 -0.131 0.000 2.599 210 L HA -0.032 4.308 4.340 0.000 0.000 0.230 210 L C 0.743 177.625 176.870 0.019 0.000 1.141 210 L CA -0.226 54.442 54.840 -0.288 0.000 0.877 210 L CB -0.408 41.516 42.059 -0.224 0.000 1.009 210 L HN 0.188 nan 8.230 nan 0.000 0.447 211 Y N 1.421 121.723 120.300 0.003 0.000 2.411 211 Y HA 0.265 4.815 4.550 0.000 0.000 0.333 211 Y C -0.251 175.781 175.900 0.221 0.000 1.186 211 Y CA -0.210 57.969 58.100 0.130 0.000 1.381 211 Y CB 0.467 38.977 38.460 0.084 0.000 1.273 211 Y HN -0.110 nan 8.280 nan 0.000 0.546 212 L N 9.171 130.207 121.223 -0.312 0.000 2.305 212 L HA 0.434 4.774 4.340 0.000 0.000 0.284 212 L C -2.214 174.348 176.870 -0.514 0.000 1.013 212 L CA -2.223 52.508 54.840 -0.180 0.000 0.819 212 L CB 1.693 43.777 42.059 0.042 0.000 1.227 212 L HN 0.587 nan 8.230 nan 0.000 0.417 213 P HA 0.137 nan 4.420 nan 0.000 0.275 213 P C -0.800 176.449 177.300 -0.085 0.000 1.227 213 P CA -0.286 62.764 63.100 -0.085 0.000 0.781 213 P CB 1.022 32.778 31.700 0.093 0.000 0.906 214 L N 2.694 123.886 121.223 -0.050 0.000 2.367 214 L HA 0.200 4.541 4.340 0.000 0.000 0.275 214 L C 1.091 177.931 176.870 -0.049 0.000 1.129 214 L CA -0.261 54.542 54.840 -0.062 0.000 0.839 214 L CB -0.018 42.025 42.059 -0.026 0.000 1.133 214 L HN 0.346 nan 8.230 nan 0.000 0.453 215 E N 4.732 124.878 120.200 -0.090 0.000 2.161 215 E HA 0.122 4.472 4.350 0.000 0.000 0.263 215 E C -0.566 176.008 176.600 -0.043 0.000 1.185 215 E CA 0.346 56.706 56.400 -0.067 0.000 0.938 215 E CB 0.200 29.841 29.700 -0.098 0.000 1.023 215 E HN 0.477 nan 8.360 nan 0.000 0.433 236 P HA 0.169 nan 4.420 nan 0.000 0.268 236 P C -0.342 176.853 177.300 -0.175 0.000 1.204 236 P CA -0.025 62.926 63.100 -0.249 0.000 0.768 236 P CB 0.606 32.254 31.700 -0.087 0.000 0.842 237 V N 4.130 123.878 119.914 -0.277 0.000 2.585 237 V HA 0.003 4.124 4.120 0.000 0.000 0.296 237 V C 0.563 176.507 176.094 -0.249 0.000 1.035 237 V CA 0.056 62.186 62.300 -0.283 0.000 1.084 237 V CB 0.167 31.651 31.823 -0.566 0.000 0.953 237 V HN 0.374 nan 8.190 nan 0.000 0.483 238 L N 5.929 127.101 121.223 -0.084 0.000 2.314 238 L HA 0.219 4.559 4.340 0.000 0.000 0.275 238 L C 0.518 177.257 176.870 -0.219 0.000 1.068 238 L CA -0.237 54.593 54.840 -0.017 0.000 0.894 238 L CB 0.526 42.708 42.059 0.205 0.000 1.275 238 L HN 0.779 nan 8.230 nan 0.000 0.432 239 W N 1.650 122.945 121.300 -0.008 0.000 2.338 239 W HA -0.239 4.422 4.660 0.000 0.000 0.304 239 W C 2.479 178.973 176.519 -0.042 0.000 1.212 239 W CA 1.267 58.600 57.345 -0.020 0.000 1.264 239 W CB -0.379 29.069 29.460 -0.020 0.000 1.142 239 W HN 0.679 nan 8.180 nan 0.000 0.512 240 N N 0.242 119.012 118.700 0.118 0.000 2.149 240 N HA -0.226 4.514 4.740 0.000 0.000 0.188 240 N C 1.482 176.830 175.510 -0.270 0.000 1.019 240 N CA 1.691 54.701 53.050 -0.066 0.000 0.857 240 N CB -1.420 36.918 38.487 -0.249 0.000 0.997 240 N HN 0.210 nan 8.380 nan 0.000 0.426 241 F N 1.120 120.905 119.950 -0.275 0.000 2.325 241 F HA 0.108 4.635 4.527 0.000 0.000 0.299 241 F C 2.677 178.212 175.800 -0.441 0.000 1.090 241 F CA 0.585 58.303 58.000 -0.472 0.000 1.392 241 F CB -0.078 38.395 39.000 -0.879 0.000 1.053 241 F HN 0.061 nan 8.300 nan 0.000 0.521 242 K N 0.276 120.519 120.400 -0.261 0.000 2.097 242 K HA -0.140 4.181 4.320 0.000 0.000 0.206 242 K C 2.041 178.710 176.600 0.115 0.000 1.049 242 K CA 1.719 58.016 56.287 0.016 0.000 0.933 242 K CB -0.096 32.411 32.500 0.012 0.000 0.717 242 K HN 0.089 nan 8.250 nan 0.000 0.442 243 S N 1.139 116.911 115.700 0.120 0.000 2.345 243 S HA -0.035 4.435 4.470 0.000 0.000 0.219 243 S C 1.832 176.455 174.600 0.038 0.000 1.031 243 S CA 1.055 59.324 58.200 0.115 0.000 0.984 243 S CB -0.303 63.034 63.200 0.228 0.000 0.874 243 S HN 0.245 nan 8.310 nan 0.000 0.451 244 L N 1.308 122.506 121.223 -0.042 0.000 2.081 244 L HA -0.172 4.169 4.340 0.000 0.000 0.212 244 L C 2.449 179.570 176.870 0.418 0.000 1.080 244 L CA 1.333 56.151 54.840 -0.037 0.000 0.754 244 L CB -0.669 41.223 42.059 -0.278 0.000 0.893 244 L HN 0.345 nan 8.230 nan 0.000 0.433 245 A N -1.005 122.008 122.820 0.322 0.000 2.238 245 A HA -0.083 4.237 4.320 0.000 0.000 0.208 245 A C 1.963 179.705 177.584 0.263 0.000 1.177 245 A CA 0.385 52.585 52.037 0.271 0.000 0.804 245 A CB -0.643 18.411 19.000 0.090 0.000 0.823 245 A HN 0.456 nan 8.150 nan 0.000 0.482 246 N N 0.334 119.178 118.700 0.240 0.000 2.216 246 N HA -0.155 4.585 4.740 0.000 0.000 0.183 246 N C 1.166 176.790 175.510 0.189 0.000 1.017 246 N CA 1.109 54.273 53.050 0.190 0.000 0.861 246 N CB -0.044 38.530 38.487 0.145 0.000 0.986 246 N HN 0.406 nan 8.380 nan 0.000 0.428 247 N N 0.731 119.576 118.700 0.240 0.000 2.104 247 N HA -0.156 4.584 4.740 0.000 0.000 0.190 247 N C 1.449 177.041 175.510 0.135 0.000 1.024 247 N CA 0.765 53.917 53.050 0.171 0.000 0.853 247 N CB -0.700 37.875 38.487 0.146 0.000 1.008 247 N HN 0.300 nan 8.380 nan 0.000 0.424 248 F N 1.725 121.666 119.950 -0.014 0.000 2.102 248 F HA -0.164 4.364 4.527 0.000 0.000 0.298 248 F C 2.174 177.955 175.800 -0.031 0.000 1.105 248 F CA 1.348 59.191 58.000 -0.263 0.000 1.239 248 F CB -0.534 38.108 39.000 -0.598 0.000 0.991 248 F HN -0.004 nan 8.300 nan 0.000 0.474 249 N N 0.450 119.221 118.700 0.118 0.000 2.149 249 N HA -0.177 4.563 4.740 0.000 0.000 0.188 249 N C 1.719 177.263 175.510 0.057 0.000 1.019 249 N CA 1.836 54.933 53.050 0.078 0.000 0.857 249 N CB -0.510 38.058 38.487 0.136 0.000 0.997 249 N HN 0.268 nan 8.380 nan 0.000 0.426 250 V N 1.234 121.180 119.914 0.054 0.000 2.270 250 V HA -0.169 3.952 4.120 0.000 0.000 0.245 250 V C 2.504 178.620 176.094 0.037 0.000 1.043 250 V CA 1.579 63.912 62.300 0.056 0.000 1.014 250 V CB -0.436 31.416 31.823 0.048 0.000 0.645 250 V HN 0.348 nan 8.190 nan 0.000 0.447 251 R N -0.679 119.811 120.500 -0.016 0.000 2.080 251 R HA -0.209 4.131 4.340 0.000 0.000 0.236 251 R C 2.272 178.520 176.300 -0.085 0.000 1.137 251 R CA 2.175 58.243 56.100 -0.054 0.000 0.943 251 R CB -0.988 29.286 30.300 -0.044 0.000 0.846 251 R HN 0.541 nan 8.270 nan 0.000 0.431 252 F N 1.929 121.703 119.950 -0.293 0.000 2.126 252 F HA -0.215 4.313 4.527 0.000 0.000 0.299 252 F C 2.315 178.121 175.800 0.010 0.000 1.096 252 F CA 1.785 59.681 58.000 -0.175 0.000 1.255 252 F CB -0.332 38.355 39.000 -0.523 0.000 0.997 252 F HN -0.090 nan 8.300 nan 0.000 0.479 253 T N -0.527 114.088 114.554 0.102 0.000 2.708 253 T HA -0.246 4.104 4.350 0.000 0.000 0.266 253 T C 1.529 176.205 174.700 -0.041 0.000 1.037 253 T CA 1.750 63.867 62.100 0.028 0.000 1.146 253 T CB -0.724 68.205 68.868 0.102 0.000 0.865 253 T HN 0.499 nan 8.240 nan 0.000 0.435 254 Y N 1.212 121.461 120.300 -0.085 0.000 2.114 254 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 254 Y C 2.560 178.348 175.900 -0.187 0.000 1.143 254 Y CA 1.771 59.818 58.100 -0.088 0.000 1.135 254 Y CB -0.527 37.882 38.460 -0.085 0.000 0.980 254 Y HN 0.356 nan 8.280 nan 0.000 0.499 255 H N -1.029 117.789 119.070 -0.420 0.000 2.489 255 H HA -0.124 4.432 4.556 0.000 0.000 0.293 255 H C 0.308 175.000 175.328 -1.060 0.000 1.066 255 H CA 1.554 57.138 56.048 -0.774 0.000 1.305 255 H CB -0.268 28.934 29.762 -0.934 0.000 1.386 255 H HN 0.423 nan 8.280 nan 0.000 0.551 256 F N -0.461 119.209 119.950 -0.466 0.000 2.791 256 F HA 0.108 4.636 4.527 0.000 0.000 0.308 256 F C 1.885 177.471 175.800 -0.358 0.000 1.138 256 F CA -0.396 57.319 58.000 -0.473 0.000 1.294 256 F CB 0.084 38.592 39.000 -0.820 0.000 0.975 256 F HN 0.184 nan 8.300 nan 0.000 0.512 257 H N 1.372 120.249 119.070 -0.322 0.000 2.387 257 H HA -0.024 4.532 4.556 0.000 0.000 0.299 257 H C 1.390 176.620 175.328 -0.162 0.000 1.099 257 H CA 1.160 57.067 56.048 -0.236 0.000 1.315 257 H CB -0.128 29.451 29.762 -0.306 0.000 1.380 257 H HN 0.271 nan 8.280 nan 0.000 0.513 258 A N 0.818 123.665 122.820 0.046 0.000 2.552 258 A HA 0.051 4.371 4.320 0.000 0.000 0.241 258 A C 0.862 178.453 177.584 0.012 0.000 1.103 258 A CA 0.637 52.696 52.037 0.037 0.000 0.789 258 A CB -0.323 18.651 19.000 -0.043 0.000 1.050 258 A HN 0.519 nan 8.150 nan 0.000 0.515 259 T N 0.511 115.068 114.554 0.005 0.000 2.595 259 T HA 0.176 4.526 4.350 0.000 0.000 0.339 259 T C 0.728 175.438 174.700 0.017 0.000 1.059 259 T CA 0.723 62.817 62.100 -0.009 0.000 1.035 259 T CB 0.122 68.976 68.868 -0.023 0.000 1.003 259 T HN 0.691 nan 8.240 nan 0.000 0.540 260 S N 0.727 116.430 115.700 0.005 0.000 2.410 260 S HA 0.442 4.912 4.470 0.000 0.000 0.304 260 S C -0.199 174.367 174.600 -0.056 0.000 1.095 260 S CA -0.590 57.628 58.200 0.029 0.000 1.089 260 S CB 0.241 63.457 63.200 0.027 0.000 0.968 260 S HN 0.653 nan 8.310 nan 0.000 0.480 261 S N 3.337 118.982 115.700 -0.091 0.000 2.509 261 S HA 0.389 4.859 4.470 0.000 0.000 0.297 261 S C 1.399 175.893 174.600 -0.176 0.000 1.118 261 S CA -0.499 57.630 58.200 -0.120 0.000 1.074 261 S CB 1.514 64.659 63.200 -0.092 0.000 1.038 261 S HN 0.766 nan 8.310 nan 0.000 0.498 262 S N 2.882 118.496 115.700 -0.143 0.000 2.378 262 S HA -0.181 4.289 4.470 0.000 0.000 0.229 262 S C 1.931 176.435 174.600 -0.161 0.000 1.052 262 S CA 2.741 60.855 58.200 -0.142 0.000 1.084 262 S CB -0.751 62.387 63.200 -0.103 0.000 0.950 262 S HN 0.980 nan 8.310 nan 0.000 0.440 263 S N -0.425 115.190 115.700 -0.141 0.000 2.528 263 S HA 0.228 4.698 4.470 0.000 0.000 0.219 263 S C 1.518 176.004 174.600 -0.189 0.000 0.985 263 S CA 0.020 58.140 58.200 -0.134 0.000 0.914 263 S CB -0.175 62.975 63.200 -0.083 0.000 0.776 263 S HN 0.562 nan 8.310 nan 0.000 0.526 264 K N 1.040 121.294 120.400 -0.244 0.000 2.305 264 K HA 0.274 4.594 4.320 0.000 0.000 0.199 264 K C 1.869 178.020 176.600 -0.748 0.000 1.047 264 K CA 0.760 56.861 56.287 -0.310 0.000 0.976 264 K CB -0.290 32.103 32.500 -0.178 0.000 0.765 264 K HN 0.420 nan 8.250 nan 0.000 0.474 265 I N 1.460 121.494 120.570 -0.893 0.000 2.423 265 I HA -0.265 3.905 4.170 0.000 0.000 0.254 265 I C 2.026 177.386 176.117 -1.263 0.000 1.151 265 I CA 1.524 61.999 61.300 -1.374 0.000 1.421 265 I CB 0.140 37.664 38.000 -0.793 0.000 1.079 265 I HN 0.104 nan 8.210 nan 0.000 0.431 266 E N 0.605 120.415 120.200 -0.651 0.000 2.274 266 E HA -0.147 4.203 4.350 0.000 0.000 0.194 266 E C 1.857 178.336 176.600 -0.201 0.000 0.996 266 E CA 1.650 57.853 56.400 -0.327 0.000 0.840 266 E CB -0.226 29.416 29.700 -0.096 0.000 0.772 266 E HN 0.447 nan 8.360 nan 0.000 0.491 267 T N -0.299 114.118 114.554 -0.229 0.000 2.904 267 T HA -0.065 4.285 4.350 0.000 0.000 0.267 267 T C 1.409 176.213 174.700 0.172 0.000 1.059 267 T CA 1.019 63.155 62.100 0.060 0.000 1.137 267 T CB -0.404 68.589 68.868 0.208 0.000 0.879 267 T HN 0.334 nan 8.240 nan 0.000 0.467 268 Y N 0.484 120.581 120.300 -0.337 0.000 2.114 268 Y HA -0.124 4.427 4.550 0.000 0.000 0.284 268 Y C 2.262 178.270 175.900 0.180 0.000 1.143 268 Y CA 0.684 58.619 58.100 -0.274 0.000 1.135 268 Y CB -0.637 37.583 38.460 -0.399 0.000 0.980 268 Y HN 0.200 nan 8.280 nan 0.000 0.499 269 F N -0.062 120.024 119.950 0.228 0.000 2.161 269 F HA -0.293 4.235 4.527 0.000 0.000 0.300 269 F C 2.591 178.493 175.800 0.169 0.000 1.089 269 F CA 0.622 58.706 58.000 0.140 0.000 1.282 269 F CB -0.272 38.766 39.000 0.064 0.000 1.010 269 F HN 0.126 nan 8.300 nan 0.000 0.485 270 Q N 0.707 120.734 119.800 0.378 0.000 2.046 270 Q HA -0.200 4.140 4.340 0.000 0.000 0.200 270 Q C 1.986 178.223 176.000 0.394 0.000 0.975 270 Q CA 1.593 57.590 55.803 0.324 0.000 0.836 270 Q CB -0.823 28.077 28.738 0.269 0.000 0.896 270 Q HN 0.384 nan 8.270 nan 0.000 0.428 271 F N 0.487 120.626 119.950 0.314 0.000 2.095 271 F HA -0.191 4.336 4.527 0.000 0.000 0.298 271 F C 1.782 177.817 175.800 0.391 0.000 1.104 271 F CA 1.449 59.656 58.000 0.344 0.000 1.232 271 F CB -0.956 38.299 39.000 0.425 0.000 0.987 271 F HN 0.263 nan 8.300 nan 0.000 0.475 272 L N 1.273 122.622 121.223 0.210 0.000 1.971 272 L HA -0.268 4.072 4.340 0.000 0.000 0.215 272 L C 2.190 179.026 176.870 -0.057 0.000 1.072 272 L CA 2.671 57.493 54.840 -0.030 0.000 0.758 272 L CB -1.675 40.398 42.059 0.025 0.000 0.889 272 L HN 0.337 nan 8.230 nan 0.000 0.433 273 N N -0.737 118.014 118.700 0.085 0.000 2.094 273 N HA -0.237 4.503 4.740 0.000 0.000 0.191 273 N C 1.537 177.173 175.510 0.210 0.000 1.023 273 N CA 1.970 55.120 53.050 0.166 0.000 0.857 273 N CB -0.213 38.416 38.487 0.237 0.000 1.013 273 N HN 0.516 nan 8.380 nan 0.000 0.426 274 D N -0.936 119.583 120.400 0.199 0.000 2.097 274 D HA -0.158 4.482 4.640 0.000 0.000 0.197 274 D C 1.595 177.980 176.300 0.143 0.000 0.984 274 D CA 0.794 54.913 54.000 0.200 0.000 0.826 274 D CB -0.684 40.265 40.800 0.248 0.000 0.973 274 D HN 0.392 nan 8.370 nan 0.000 0.460 275 Y N 1.525 121.786 120.300 -0.065 0.000 2.165 275 Y HA -0.182 4.368 4.550 0.000 0.000 0.286 275 Y C 2.219 178.055 175.900 -0.107 0.000 1.155 275 Y CA 1.364 59.377 58.100 -0.144 0.000 1.164 275 Y CB -0.317 37.877 38.460 -0.444 0.000 0.978 275 Y HN -0.087 nan 8.280 nan 0.000 0.513 276 L N -0.795 120.349 121.223 -0.132 0.000 2.056 276 L HA -0.178 4.162 4.340 0.000 0.000 0.207 276 L C 2.769 179.645 176.870 0.009 0.000 1.078 276 L CA 0.997 55.682 54.840 -0.257 0.000 0.749 276 L CB -0.939 40.642 42.059 -0.796 0.000 0.901 276 L HN 0.333 nan 8.230 nan 0.000 0.433 277 A N -0.082 122.870 122.820 0.221 0.000 1.940 277 A HA -0.289 4.031 4.320 0.000 0.000 0.219 277 A C 2.207 179.885 177.584 0.156 0.000 1.176 277 A CA 2.204 54.445 52.037 0.340 0.000 0.631 277 A CB -0.445 18.717 19.000 0.269 0.000 0.814 277 A HN 0.499 nan 8.150 nan 0.000 0.446 278 E N -1.133 119.091 120.200 0.040 0.000 2.318 278 E HA -0.040 4.310 4.350 0.000 0.000 0.193 278 E C 1.088 177.649 176.600 -0.067 0.000 0.998 278 E CA 0.818 57.209 56.400 -0.014 0.000 0.859 278 E CB 0.103 29.780 29.700 -0.038 0.000 0.812 278 E HN 0.630 nan 8.360 nan 0.000 0.492 279 N N -0.116 118.493 118.700 -0.152 0.000 2.239 279 N HA -0.024 4.716 4.740 0.000 0.000 0.208 279 N C 1.570 177.108 175.510 0.047 0.000 1.200 279 N CA 0.014 52.986 53.050 -0.132 0.000 0.895 279 N CB 0.248 38.455 38.487 -0.467 0.000 1.085 279 N HN 0.103 nan 8.380 nan 0.000 0.500 280 L N 1.192 122.487 121.223 0.121 0.000 1.991 280 L HA -0.198 4.142 4.340 0.000 0.000 0.221 280 L C 1.607 178.497 176.870 0.033 0.000 1.079 280 L CA 2.001 56.927 54.840 0.144 0.000 0.778 280 L CB -0.920 41.253 42.059 0.190 0.000 0.893 280 L HN 0.071 nan 8.230 nan 0.000 0.437 281 Y N -0.534 119.803 120.300 0.063 0.000 2.516 281 Y HA -0.052 4.498 4.550 0.000 0.000 0.291 281 Y C 2.512 178.433 175.900 0.035 0.000 1.131 281 Y CA 1.112 59.246 58.100 0.057 0.000 1.281 281 Y CB -0.417 38.087 38.460 0.073 0.000 1.013 281 Y HN 0.303 nan 8.280 nan 0.000 0.554 282 K N -0.527 119.978 120.400 0.174 0.000 2.097 282 K HA -0.172 4.148 4.320 0.000 0.000 0.205 282 K C 2.364 179.045 176.600 0.135 0.000 1.050 282 K CA 1.311 57.695 56.287 0.162 0.000 0.938 282 K CB -0.501 32.103 32.500 0.174 0.000 0.718 282 K HN 0.383 nan 8.250 nan 0.000 0.442 283 C N 0.836 120.186 119.300 0.083 0.000 2.442 283 C HA -0.063 4.397 4.460 0.000 0.000 0.279 283 C C 2.452 177.414 174.990 -0.046 0.000 1.237 283 C CA 0.746 59.701 59.018 -0.105 0.000 1.722 283 C CB -0.889 26.422 27.740 -0.714 0.000 2.056 283 C HN 0.559 nan 8.230 nan 0.000 0.469 284 I N 1.458 121.957 120.570 -0.119 0.000 2.194 284 I HA -0.235 3.935 4.170 0.000 0.000 0.246 284 I C 2.158 178.224 176.117 -0.085 0.000 1.093 284 I CA 2.141 63.382 61.300 -0.099 0.000 1.355 284 I CB -0.599 37.268 38.000 -0.222 0.000 1.046 284 I HN 0.460 nan 8.210 nan 0.000 0.413 285 N N 0.601 119.260 118.700 -0.068 0.000 2.216 285 N HA -0.051 4.689 4.740 0.000 0.000 0.183 285 N C 1.800 177.295 175.510 -0.025 0.000 1.017 285 N CA 1.131 54.128 53.050 -0.088 0.000 0.861 285 N CB -0.142 38.340 38.487 -0.008 0.000 0.986 285 N HN 0.305 nan 8.380 nan 0.000 0.428 286 I N -0.844 119.674 120.570 -0.087 0.000 2.193 286 I HA -0.173 3.997 4.170 0.000 0.000 0.240 286 I C 0.695 176.565 176.117 -0.411 0.000 1.084 286 I CA 1.107 62.214 61.300 -0.322 0.000 1.365 286 I CB -0.160 37.414 38.000 -0.710 0.000 1.064 286 I HN 0.025 nan 8.210 nan 0.000 0.410 287 F N 0.209 120.085 119.950 -0.123 0.000 2.765 287 F HA 0.069 4.597 4.527 0.000 0.000 0.302 287 F C 1.213 176.990 175.800 -0.038 0.000 1.111 287 F CA -0.420 57.503 58.000 -0.128 0.000 1.359 287 F CB -0.909 37.925 39.000 -0.277 0.000 1.097 287 F HN 0.155 nan 8.300 nan 0.000 0.577 288 H N 0.538 119.619 119.070 0.019 0.000 2.848 288 H HA 0.169 4.725 4.556 0.000 0.000 0.341 288 H C -0.772 174.551 175.328 -0.009 0.000 1.060 288 H CA -0.078 55.971 56.048 0.003 0.000 1.444 288 H CB 1.044 30.809 29.762 0.005 0.000 1.446 288 H HN 0.092 nan 8.280 nan 0.000 0.583 289 D N 3.767 124.056 120.400 -0.185 0.000 2.621 289 D HA 0.094 4.734 4.640 0.000 0.000 0.274 289 D C 0.342 176.560 176.300 -0.137 0.000 1.215 289 D CA -0.471 53.397 54.000 -0.221 0.000 0.810 289 D CB 0.130 40.867 40.800 -0.104 0.000 1.248 289 D HN 0.617 nan 8.370 nan 0.000 0.517 290 D N 0.167 120.467 120.400 -0.167 0.000 2.192 290 D HA -0.208 4.432 4.640 0.000 0.000 0.189 290 D C 1.678 177.971 176.300 -0.012 0.000 1.007 290 D CA 1.537 55.508 54.000 -0.048 0.000 0.859 290 D CB 0.015 40.795 40.800 -0.033 0.000 0.936 290 D HN 0.555 nan 8.370 nan 0.000 0.447 291 C N 0.648 119.932 119.300 -0.025 0.000 2.379 291 C HA 0.205 4.665 4.460 0.000 0.000 0.376 291 C C 1.006 176.010 174.990 0.024 0.000 1.323 291 C CA -0.430 58.590 59.018 0.003 0.000 1.575 291 C CB -1.443 26.293 27.740 -0.007 0.000 1.661 291 C HN 0.162 nan 8.230 nan 0.000 0.594 292 N N -0.892 117.834 118.700 0.043 0.000 1.938 292 N HA 0.181 4.921 4.740 0.000 0.000 0.225 292 N C 1.343 176.957 175.510 0.175 0.000 1.400 292 N CA 0.943 54.049 53.050 0.094 0.000 0.772 292 N CB 1.227 39.763 38.487 0.081 0.000 1.124 292 N HN 0.670 nan 8.380 nan 0.000 0.513 293 G N 1.104 109.984 108.800 0.134 0.000 2.279 293 G HA2 -0.227 3.733 3.960 0.000 0.000 0.223 293 G HA3 -0.227 3.733 3.960 0.000 0.000 0.223 293 G C 0.245 175.197 174.900 0.086 0.000 1.015 293 G CA -0.131 45.083 45.100 0.189 0.000 0.621 293 G HN 0.212 nan 8.290 nan 0.000 0.506 294 L N 3.527 124.730 121.223 -0.033 0.000 2.650 294 L HA 0.269 4.609 4.340 0.000 0.000 0.239 294 L C 1.617 178.488 176.870 0.003 0.000 1.412 294 L CA 0.436 55.195 54.840 -0.134 0.000 1.219 294 L CB -0.840 41.095 42.059 -0.207 0.000 1.534 294 L HN 0.531 nan 8.230 nan 0.000 0.430 295 T N -4.095 110.485 114.554 0.043 0.000 2.860 295 T HA 0.113 4.463 4.350 0.000 0.000 0.299 295 T C 1.236 176.000 174.700 0.106 0.000 1.045 295 T CA -0.640 61.512 62.100 0.087 0.000 1.071 295 T CB 1.470 70.382 68.868 0.074 0.000 0.985 295 T HN 0.274 nan 8.240 nan 0.000 0.537 296 K N 1.571 122.049 120.400 0.130 0.000 2.077 296 K HA -0.118 4.202 4.320 0.000 0.000 0.213 296 K C -0.781 175.850 176.600 0.053 0.000 1.051 296 K CA 1.946 58.275 56.287 0.071 0.000 0.929 296 K CB -1.223 31.293 32.500 0.026 0.000 0.715 296 K HN 0.525 nan 8.250 nan 0.000 0.451 297 P HA -0.142 nan 4.420 nan 0.000 0.216 297 P C 1.292 178.637 177.300 0.076 0.000 1.153 297 P CA 0.994 64.111 63.100 0.029 0.000 0.848 297 P CB 0.098 31.808 31.700 0.017 0.000 0.787 298 V N -0.034 119.920 119.914 0.067 0.000 2.295 298 V HA -0.221 3.899 4.120 0.000 0.000 0.246 298 V C 2.373 178.490 176.094 0.038 0.000 1.049 298 V CA 1.584 63.913 62.300 0.048 0.000 1.024 298 V CB -1.126 30.726 31.823 0.049 0.000 0.648 298 V HN 0.023 nan 8.190 nan 0.000 0.447 299 I N -0.127 120.521 120.570 0.129 0.000 2.142 299 I HA -0.248 3.922 4.170 0.000 0.000 0.240 299 I C 2.474 178.685 176.117 0.156 0.000 1.078 299 I CA 2.037 63.473 61.300 0.227 0.000 1.343 299 I CB -1.680 36.415 38.000 0.158 0.000 1.046 299 I HN 0.471 nan 8.210 nan 0.000 0.405 300 H N 1.288 120.362 119.070 0.005 0.000 2.289 300 H HA -0.240 4.316 4.556 0.000 0.000 0.294 300 H C 2.099 177.479 175.328 0.087 0.000 1.095 300 H CA 2.489 58.538 56.048 0.003 0.000 1.256 300 H CB 0.178 29.910 29.762 -0.049 0.000 1.359 300 H HN 0.236 nan 8.280 nan 0.000 0.487 301 E N 0.122 120.510 120.200 0.313 0.000 2.028 301 E HA -0.119 4.231 4.350 0.000 0.000 0.191 301 E C 2.515 179.186 176.600 0.118 0.000 0.988 301 E CA 1.127 57.698 56.400 0.285 0.000 0.799 301 E CB -0.053 29.745 29.700 0.164 0.000 0.755 301 E HN 0.418 nan 8.360 nan 0.000 0.447 302 Q N -0.651 119.060 119.800 -0.149 0.000 2.119 302 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 302 Q C 2.127 177.966 176.000 -0.268 0.000 0.972 302 Q CA 0.835 56.392 55.803 -0.411 0.000 0.847 302 Q CB -0.548 27.436 28.738 -1.257 0.000 0.903 302 Q HN 0.308 nan 8.270 nan 0.000 0.433 303 F N 1.178 120.943 119.950 -0.308 0.000 2.126 303 F HA -0.157 4.370 4.527 0.000 0.000 0.299 303 F C 2.000 177.712 175.800 -0.145 0.000 1.096 303 F CA 1.032 59.010 58.000 -0.038 0.000 1.255 303 F CB -0.257 38.755 39.000 0.021 0.000 0.997 303 F HN -0.025 nan 8.300 nan 0.000 0.479 304 I N 0.070 120.432 120.570 -0.347 0.000 2.394 304 I HA -0.286 3.884 4.170 0.000 0.000 0.251 304 I C 2.119 177.847 176.117 -0.647 0.000 1.136 304 I CA 1.414 62.303 61.300 -0.686 0.000 1.425 304 I CB -0.615 36.846 38.000 -0.898 0.000 1.079 304 I HN 0.210 nan 8.210 nan 0.000 0.425 305 N N 0.727 119.225 118.700 -0.338 0.000 2.188 305 N HA -0.208 4.532 4.740 0.000 0.000 0.184 305 N C 1.786 177.063 175.510 -0.390 0.000 1.018 305 N CA 1.736 54.628 53.050 -0.265 0.000 0.858 305 N CB -0.188 38.240 38.487 -0.098 0.000 0.989 305 N HN 0.275 nan 8.380 nan 0.000 0.426 306 Y N -0.693 119.423 120.300 -0.307 0.000 2.420 306 Y HA 0.133 4.683 4.550 0.000 0.000 0.292 306 Y C 2.036 177.729 175.900 -0.346 0.000 1.119 306 Y CA 0.385 58.337 58.100 -0.248 0.000 1.229 306 Y CB 0.094 38.492 38.460 -0.104 0.000 1.026 306 Y HN -0.077 nan 8.280 nan 0.000 0.554 307 V N -0.072 119.562 119.914 -0.467 0.000 3.217 307 V HA -0.184 3.937 4.120 0.000 0.000 0.264 307 V C 1.742 177.401 176.094 -0.725 0.000 1.135 307 V CA 1.204 63.053 62.300 -0.752 0.000 1.142 307 V CB -0.424 30.652 31.823 -1.245 0.000 0.754 307 V HN 0.405 nan 8.190 nan 0.000 0.484 308 L N -1.055 119.840 121.223 -0.546 0.000 2.446 308 L HA 0.011 4.351 4.340 0.000 0.000 0.219 308 L C 2.538 179.215 176.870 -0.323 0.000 1.116 308 L CA 0.367 54.938 54.840 -0.448 0.000 0.844 308 L CB -0.265 41.541 42.059 -0.421 0.000 0.970 308 L HN 0.252 nan 8.230 nan 0.000 0.457 309 Q N 0.598 120.228 119.800 -0.283 0.000 2.020 309 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 309 Q C -0.382 175.514 176.000 -0.172 0.000 0.982 309 Q CA 1.714 57.391 55.803 -0.209 0.000 0.838 309 Q CB -1.401 27.226 28.738 -0.186 0.000 0.899 309 Q HN 0.350 nan 8.270 nan 0.000 0.423 310 P HA -0.153 nan 4.420 nan 0.000 0.217 310 P C 1.407 178.513 177.300 -0.323 0.000 1.148 310 P CA 1.289 64.281 63.100 -0.180 0.000 0.828 310 P CB -0.219 31.383 31.700 -0.163 0.000 0.783 311 I N -0.843 119.444 120.570 -0.472 0.000 2.500 311 I HA -0.110 4.060 4.170 0.000 0.000 0.252 311 I C 2.819 178.884 176.117 -0.087 0.000 1.142 311 I CA 0.875 61.955 61.300 -0.367 0.000 1.451 311 I CB -0.446 37.384 38.000 -0.284 0.000 1.093 311 I HN -0.132 nan 8.210 nan 0.000 0.430 312 R N 0.912 121.348 120.500 -0.106 0.000 2.066 312 R HA -0.136 4.204 4.340 0.000 0.000 0.232 312 R C 1.862 178.150 176.300 -0.020 0.000 1.131 312 R CA 1.555 57.622 56.100 -0.055 0.000 0.955 312 R CB -0.402 29.842 30.300 -0.093 0.000 0.851 312 R HN 0.331 nan 8.270 nan 0.000 0.432 313 D N 0.843 121.223 120.400 -0.033 0.000 2.087 313 D HA -0.166 4.475 4.640 0.000 0.000 0.192 313 D C 1.815 178.131 176.300 0.027 0.000 0.993 313 D CA 1.016 55.014 54.000 -0.002 0.000 0.828 313 D CB -0.219 40.578 40.800 -0.006 0.000 0.968 313 D HN -0.073 nan 8.370 nan 0.000 0.448 314 K N 0.762 121.184 120.400 0.036 0.000 2.015 314 K HA -0.136 4.184 4.320 0.000 0.000 0.216 314 K C 2.191 178.845 176.600 0.091 0.000 1.052 314 K CA 0.797 57.120 56.287 0.060 0.000 0.937 314 K CB -0.809 31.729 32.500 0.063 0.000 0.719 314 K HN 0.077 nan 8.250 nan 0.000 0.446 315 V N 0.820 120.808 119.914 0.122 0.000 2.427 315 V HA -0.172 3.948 4.120 0.000 0.000 0.248 315 V C 2.634 178.758 176.094 0.051 0.000 1.051 315 V CA 1.883 64.249 62.300 0.110 0.000 1.048 315 V CB -0.495 31.410 31.823 0.137 0.000 0.666 315 V HN 0.359 nan 8.190 nan 0.000 0.456 316 R N 1.086 121.618 120.500 0.052 0.000 2.120 316 R HA -0.141 4.199 4.340 0.000 0.000 0.234 316 R C 2.227 178.608 176.300 0.135 0.000 1.123 316 R CA 1.550 57.691 56.100 0.067 0.000 0.975 316 R CB -0.277 30.052 30.300 0.049 0.000 0.866 316 R HN 0.661 nan 8.270 nan 0.000 0.446 317 S N -1.725 114.041 115.700 0.110 0.000 2.727 317 S HA 0.014 4.484 4.470 0.000 0.000 0.226 317 S C 0.763 175.433 174.600 0.116 0.000 0.963 317 S CA 0.945 59.241 58.200 0.161 0.000 0.950 317 S CB 0.532 63.785 63.200 0.089 0.000 0.779 317 S HN 0.306 nan 8.310 nan 0.000 0.532 318 T N -0.067 114.462 114.554 -0.040 0.000 3.304 318 T HA 0.192 4.542 4.350 0.000 0.000 0.269 318 T C 1.027 175.429 174.700 -0.496 0.000 0.895 318 T CA 0.169 62.057 62.100 -0.354 0.000 0.948 318 T CB -0.497 68.255 68.868 -0.193 0.000 1.242 318 T HN 0.189 nan 8.240 nan 0.000 0.522 319 L N 2.984 124.084 121.223 -0.206 0.000 2.058 319 L HA -0.209 4.131 4.340 0.000 0.000 0.226 319 L C 2.048 178.800 176.870 -0.197 0.000 1.089 319 L CA 2.581 57.323 54.840 -0.164 0.000 0.799 319 L CB -1.145 40.866 42.059 -0.080 0.000 0.900 319 L HN 0.544 nan 8.230 nan 0.000 0.442 320 F N 0.661 120.565 119.950 -0.077 0.000 2.120 320 F HA -0.233 4.295 4.527 0.000 0.000 0.300 320 F C 2.050 177.816 175.800 -0.056 0.000 1.095 320 F CA 1.211 59.171 58.000 -0.066 0.000 1.249 320 F CB -1.727 37.246 39.000 -0.045 0.000 0.995 320 F HN 0.449 nan 8.300 nan 0.000 0.480 321 Q N 1.643 120.792 119.800 -1.086 0.000 2.292 321 Q HA 0.192 4.532 4.340 0.000 0.000 0.247 321 Q C -1.123 174.675 176.000 -0.337 0.000 0.911 321 Q CA -0.101 55.333 55.803 -0.615 0.000 0.948 321 Q CB -0.996 27.232 28.738 -0.850 0.000 1.093 321 Q HN 0.517 nan 8.270 nan 0.000 0.428 322 N N 1.511 120.067 118.700 -0.240 0.000 2.362 322 N HA 0.167 4.907 4.740 0.000 0.000 0.299 322 N C -1.368 174.060 175.510 -0.136 0.000 1.170 322 N CA -0.752 52.192 53.050 -0.177 0.000 0.825 322 N CB 1.189 39.574 38.487 -0.171 0.000 1.299 322 N HN 0.258 nan 8.380 nan 0.000 0.502 323 D N 0.563 120.886 120.400 -0.128 0.000 2.341 323 D HA 0.041 4.681 4.640 0.000 0.000 0.245 323 D C 1.109 177.288 176.300 -0.202 0.000 1.106 323 D CA -0.258 53.657 54.000 -0.140 0.000 0.905 323 D CB 1.018 41.749 40.800 -0.115 0.000 1.202 323 D HN 0.428 nan 8.370 nan 0.000 0.426 324 L N 0.717 121.747 121.223 -0.321 0.000 2.129 324 L HA -0.252 4.088 4.340 0.000 0.000 0.212 324 L C 2.405 178.979 176.870 -0.493 0.000 1.087 324 L CA 1.480 55.980 54.840 -0.568 0.000 0.757 324 L CB -0.556 40.764 42.059 -1.232 0.000 0.896 324 L HN 0.396 nan 8.230 nan 0.000 0.434 325 K N -0.946 119.260 120.400 -0.324 0.000 2.211 325 K HA -0.088 4.232 4.320 0.000 0.000 0.203 325 K C 2.019 178.577 176.600 -0.070 0.000 1.050 325 K CA 1.445 57.659 56.287 -0.121 0.000 0.945 325 K CB -0.107 32.365 32.500 -0.046 0.000 0.732 325 K HN 0.246 nan 8.250 nan 0.000 0.451 326 T N 1.060 115.556 114.554 -0.098 0.000 3.010 326 T HA 0.008 4.358 4.350 0.000 0.000 0.252 326 T C 1.583 176.239 174.700 -0.075 0.000 1.047 326 T CA 0.158 62.213 62.100 -0.076 0.000 1.140 326 T CB -0.017 68.797 68.868 -0.090 0.000 0.885 326 T HN 0.044 nan 8.240 nan 0.000 0.464 327 L N 1.811 122.974 121.223 -0.099 0.000 1.990 327 L HA -0.032 4.308 4.340 0.000 0.000 0.213 327 L C 2.131 178.983 176.870 -0.030 0.000 1.072 327 L CA 1.683 56.471 54.840 -0.087 0.000 0.755 327 L CB -0.765 41.242 42.059 -0.086 0.000 0.889 327 L HN 0.253 nan 8.230 nan 0.000 0.432 328 I N -1.254 119.348 120.570 0.054 0.000 2.236 328 I HA -0.359 3.811 4.170 0.000 0.000 0.249 328 I C 2.260 178.452 176.117 0.125 0.000 1.102 328 I CA 1.650 63.065 61.300 0.192 0.000 1.365 328 I CB -0.267 37.893 38.000 0.267 0.000 1.051 328 I HN 0.187 nan 8.210 nan 0.000 0.420 329 V N 0.731 120.681 119.914 0.060 0.000 2.453 329 V HA -0.215 3.905 4.120 0.000 0.000 0.247 329 V C 2.237 178.340 176.094 0.014 0.000 1.048 329 V CA 1.268 63.596 62.300 0.046 0.000 1.049 329 V CB -0.290 31.546 31.823 0.020 0.000 0.672 329 V HN 0.361 nan 8.190 nan 0.000 0.457 330 L N -0.754 120.454 121.223 -0.026 0.000 2.109 330 L HA -0.092 4.249 4.340 0.000 0.000 0.207 330 L C 2.350 179.195 176.870 -0.041 0.000 1.086 330 L CA 1.393 56.211 54.840 -0.037 0.000 0.760 330 L CB -0.462 41.548 42.059 -0.081 0.000 0.910 330 L HN 0.245 nan 8.230 nan 0.000 0.437 331 I N 0.041 120.549 120.570 -0.105 0.000 2.226 331 I HA -0.304 3.867 4.170 0.000 0.000 0.245 331 I C 2.838 178.891 176.117 -0.106 0.000 1.100 331 I CA 1.703 62.885 61.300 -0.196 0.000 1.374 331 I CB -0.268 37.510 38.000 -0.370 0.000 1.057 331 I HN 0.384 nan 8.210 nan 0.000 0.413 332 S N 0.607 116.288 115.700 -0.033 0.000 2.356 332 S HA -0.251 4.220 4.470 0.000 0.000 0.223 332 S C 1.887 176.492 174.600 0.009 0.000 1.032 332 S CA 0.988 59.188 58.200 0.001 0.000 1.005 332 S CB -0.669 62.568 63.200 0.061 0.000 0.867 332 S HN 0.493 nan 8.310 nan 0.000 0.449 333 Q N 0.943 120.771 119.800 0.047 0.000 2.061 333 Q HA -0.026 4.314 4.340 0.000 0.000 0.204 333 Q C 2.366 178.386 176.000 0.033 0.000 0.984 333 Q CA 1.692 57.559 55.803 0.106 0.000 0.846 333 Q CB -0.558 28.308 28.738 0.213 0.000 0.902 333 Q HN 0.605 nan 8.270 nan 0.000 0.421 334 I N 0.817 121.405 120.570 0.030 0.000 2.208 334 I HA -0.299 3.871 4.170 0.000 0.000 0.245 334 I C 2.229 178.230 176.117 -0.192 0.000 1.097 334 I CA 1.129 62.356 61.300 -0.122 0.000 1.363 334 I CB -0.290 37.681 38.000 -0.049 0.000 1.051 334 I HN 0.236 nan 8.210 nan 0.000 0.413 335 L N 0.263 121.425 121.223 -0.102 0.000 2.093 335 L HA -0.158 4.183 4.340 0.000 0.000 0.208 335 L C 2.889 179.705 176.870 -0.091 0.000 1.085 335 L CA 1.099 55.896 54.840 -0.072 0.000 0.755 335 L CB -0.828 41.221 42.059 -0.016 0.000 0.904 335 L HN 0.243 nan 8.230 nan 0.000 0.435 336 A N 0.626 123.394 122.820 -0.087 0.000 1.841 336 A HA -0.231 4.089 4.320 0.000 0.000 0.216 336 A C 2.385 179.895 177.584 -0.124 0.000 1.199 336 A CA 2.599 54.592 52.037 -0.072 0.000 0.621 336 A CB -1.140 17.842 19.000 -0.030 0.000 0.835 336 A HN 0.413 nan 8.150 nan 0.000 0.445 337 T N 0.101 114.505 114.554 -0.250 0.000 2.653 337 T HA -0.223 4.128 4.350 0.000 0.000 0.268 337 T C 1.543 176.104 174.700 -0.232 0.000 1.035 337 T CA 1.827 63.724 62.100 -0.338 0.000 1.154 337 T CB -0.647 67.707 68.868 -0.856 0.000 0.862 337 T HN 0.463 nan 8.240 nan 0.000 0.441 338 D N 0.703 120.963 120.400 -0.233 0.000 2.123 338 D HA -0.061 4.579 4.640 0.000 0.000 0.196 338 D C 2.127 178.389 176.300 -0.063 0.000 0.992 338 D CA 1.095 55.014 54.000 -0.136 0.000 0.833 338 D CB -0.280 40.446 40.800 -0.124 0.000 0.954 338 D HN 0.423 nan 8.370 nan 0.000 0.455 339 K N 0.522 120.884 120.400 -0.063 0.000 2.063 339 K HA -0.187 4.133 4.320 0.000 0.000 0.208 339 K C 1.797 178.378 176.600 -0.032 0.000 1.048 339 K CA 1.497 57.762 56.287 -0.037 0.000 0.928 339 K CB -0.190 32.292 32.500 -0.031 0.000 0.713 339 K HN -0.031 nan 8.250 nan 0.000 0.442 340 N N 0.050 118.732 118.700 -0.030 0.000 2.120 340 N HA -0.105 4.635 4.740 0.000 0.000 0.188 340 N C 1.556 177.100 175.510 0.056 0.000 1.024 340 N CA 1.289 54.337 53.050 -0.005 0.000 0.852 340 N CB -0.090 38.406 38.487 0.014 0.000 1.003 340 N HN 0.218 nan 8.380 nan 0.000 0.424 341 L N -0.260 121.018 121.223 0.091 0.000 2.127 341 L HA -0.148 4.192 4.340 0.000 0.000 0.211 341 L C 2.123 179.097 176.870 0.173 0.000 1.089 341 L CA 0.583 55.546 54.840 0.206 0.000 0.757 341 L CB -0.408 41.684 42.059 0.054 0.000 0.899 341 L HN 0.302 nan 8.230 nan 0.000 0.434 342 L N -0.292 120.957 121.223 0.042 0.000 2.068 342 L HA -0.104 4.236 4.340 0.000 0.000 0.204 342 L C 1.955 178.702 176.870 -0.206 0.000 1.076 342 L CA 1.852 56.646 54.840 -0.076 0.000 0.753 342 L CB -0.494 41.533 42.059 -0.053 0.000 0.910 342 L HN 0.163 nan 8.230 nan 0.000 0.439 343 N N -1.453 117.144 118.700 -0.171 0.000 2.250 343 N HA -0.056 4.684 4.740 0.000 0.000 0.181 343 N C 1.689 176.998 175.510 -0.334 0.000 1.017 343 N CA 1.234 54.129 53.050 -0.258 0.000 0.866 343 N CB 0.058 38.462 38.487 -0.139 0.000 0.985 343 N HN 0.251 nan 8.380 nan 0.000 0.429 344 S N -0.340 115.213 115.700 -0.245 0.000 2.339 344 S HA 0.141 4.611 4.470 0.000 0.000 0.213 344 S C 1.143 175.548 174.600 -0.324 0.000 1.033 344 S CA 0.514 58.505 58.200 -0.349 0.000 0.950 344 S CB -0.229 62.656 63.200 -0.526 0.000 0.893 344 S HN 0.220 nan 8.310 nan 0.000 0.492 345 F N 1.345 121.334 119.950 0.065 0.000 2.811 345 F HA 0.226 4.753 4.527 0.000 0.000 0.301 345 F C 0.675 176.692 175.800 0.362 0.000 1.151 345 F CA 0.328 58.455 58.000 0.211 0.000 1.412 345 F CB -0.564 38.493 39.000 0.096 0.000 1.113 345 F HN 0.294 nan 8.300 nan 0.000 0.579 346 H N -1.369 117.813 119.070 0.186 0.000 2.713 346 H HA -0.279 4.278 4.556 0.000 0.000 0.311 346 H C -0.192 175.092 175.328 -0.073 0.000 1.175 346 H CA 0.490 56.545 56.048 0.012 0.000 1.143 346 H CB -1.906 27.895 29.762 0.065 0.000 1.434 346 H HN 0.402 nan 8.280 nan 0.000 0.418 347 Y N 0.605 120.869 120.300 -0.059 0.000 2.304 347 Y HA 0.239 4.789 4.550 0.000 0.000 0.328 347 Y C 0.924 176.638 175.900 -0.310 0.000 1.123 347 Y CA -0.011 58.054 58.100 -0.057 0.000 1.218 347 Y CB 0.560 39.011 38.460 -0.015 0.000 1.207 347 Y HN 0.213 nan 8.280 nan 0.000 0.495 348 H N 2.354 121.101 119.070 -0.538 0.000 3.058 348 H HA 0.283 4.839 4.556 0.000 0.000 0.266 348 H C 1.051 175.982 175.328 -0.663 0.000 1.135 348 H CA 0.031 55.804 56.048 -0.458 0.000 1.174 348 H CB 0.649 30.291 29.762 -0.200 0.000 1.581 348 H HN 0.821 nan 8.280 nan 0.000 0.553 349 G N 0.700 108.772 108.800 -1.213 0.000 2.486 349 G HA2 0.150 4.110 3.960 0.000 0.000 0.272 349 G HA3 0.150 4.110 3.960 0.000 0.000 0.272 349 G C -0.437 174.209 174.900 -0.424 0.000 1.426 349 G CA -0.615 44.072 45.100 -0.689 0.000 1.058 349 G HN 0.152 nan 8.290 nan 0.000 0.531 350 L N 1.317 122.458 121.223 -0.137 0.000 2.385 350 L HA 0.515 4.855 4.340 0.000 0.000 0.281 350 L C 1.114 177.977 176.870 -0.012 0.000 1.106 350 L CA 0.224 54.992 54.840 -0.120 0.000 0.856 350 L CB 0.148 42.138 42.059 -0.115 0.000 1.186 350 L HN 0.560 nan 8.230 nan 0.000 0.453 351 G N 4.661 113.420 108.800 -0.068 0.000 2.468 351 G HA2 0.120 4.080 3.960 0.000 0.000 0.264 351 G HA3 0.120 4.080 3.960 0.000 0.000 0.264 351 G C 0.845 175.649 174.900 -0.160 0.000 1.460 351 G CA -0.421 44.666 45.100 -0.022 0.000 1.060 351 G HN 0.697 nan 8.290 nan 0.000 0.543 352 L N -0.260 120.854 121.223 -0.182 0.000 2.291 352 L HA -0.051 4.289 4.340 0.000 0.000 0.214 352 L C 2.894 179.668 176.870 -0.159 0.000 1.120 352 L CA 0.070 54.801 54.840 -0.182 0.000 0.799 352 L CB -0.337 41.591 42.059 -0.219 0.000 0.925 352 L HN 0.231 nan 8.230 nan 0.000 0.446 353 V N -0.334 119.469 119.914 -0.184 0.000 2.688 353 V HA -0.273 3.847 4.120 0.000 0.000 0.256 353 V C 2.588 178.622 176.094 -0.099 0.000 1.084 353 V CA 1.853 64.081 62.300 -0.120 0.000 1.103 353 V CB -0.938 30.821 31.823 -0.108 0.000 0.688 353 V HN 0.657 nan 8.190 nan 0.000 0.480 354 S N 1.515 117.072 115.700 -0.238 0.000 2.507 354 S HA -0.118 4.352 4.470 0.000 0.000 0.235 354 S C 1.837 176.451 174.600 0.024 0.000 0.988 354 S CA 1.419 59.568 58.200 -0.085 0.000 0.944 354 S CB -0.605 62.514 63.200 -0.135 0.000 0.762 354 S HN 0.668 nan 8.310 nan 0.000 0.526 355 L N 0.072 121.278 121.223 -0.029 0.000 2.156 355 L HA 0.421 4.761 4.340 0.000 0.000 0.208 355 L C 0.737 177.590 176.870 -0.027 0.000 1.095 355 L CA 0.675 55.502 54.840 -0.021 0.000 0.770 355 L CB -0.819 41.221 42.059 -0.031 0.000 0.914 355 L HN 0.227 nan 8.230 nan 0.000 0.439 356 I N 2.415 122.941 120.570 -0.073 0.000 2.517 356 I HA 0.084 4.254 4.170 0.000 0.000 0.285 356 I C 0.740 176.795 176.117 -0.105 0.000 1.106 356 I CA -0.038 61.104 61.300 -0.263 0.000 1.402 356 I CB 0.285 37.858 38.000 -0.712 0.000 1.399 356 I HN 0.412 nan 8.210 nan 0.000 0.535 357 S N 3.559 119.205 115.700 -0.090 0.000 2.632 357 S HA 0.176 4.646 4.470 0.000 0.000 0.271 357 S C 0.733 175.428 174.600 0.158 0.000 1.260 357 S CA -0.787 57.458 58.200 0.075 0.000 1.010 357 S CB 1.687 64.917 63.200 0.049 0.000 0.965 357 S HN 0.558 nan 8.310 nan 0.000 0.534 358 D N 1.378 121.955 120.400 0.294 0.000 2.158 358 D HA -0.117 4.523 4.640 0.000 0.000 0.197 358 D C 1.688 178.142 176.300 0.257 0.000 0.995 358 D CA 1.720 55.955 54.000 0.391 0.000 0.846 358 D CB -0.294 40.715 40.800 0.349 0.000 0.941 358 D HN 0.735 nan 8.370 nan 0.000 0.456 359 E N -0.047 120.243 120.200 0.150 0.000 2.077 359 E HA -0.099 4.251 4.350 0.000 0.000 0.193 359 E C 2.339 178.992 176.600 0.088 0.000 0.989 359 E CA 0.428 56.891 56.400 0.105 0.000 0.800 359 E CB -0.326 29.401 29.700 0.044 0.000 0.746 359 E HN 0.153 nan 8.360 nan 0.000 0.452 360 V N -0.563 119.366 119.914 0.025 0.000 2.453 360 V HA -0.187 3.933 4.120 0.000 0.000 0.247 360 V C 1.816 177.882 176.094 -0.047 0.000 1.048 360 V CA 1.455 63.725 62.300 -0.050 0.000 1.049 360 V CB -0.659 31.049 31.823 -0.192 0.000 0.672 360 V HN 0.368 nan 8.190 nan 0.000 0.457 361 W N 0.256 121.488 121.300 -0.114 0.000 2.363 361 W HA -0.109 4.552 4.660 0.000 0.000 0.296 361 W C 2.634 179.058 176.519 -0.159 0.000 1.212 361 W CA 0.819 57.971 57.345 -0.321 0.000 1.260 361 W CB 0.014 28.940 29.460 -0.889 0.000 1.131 361 W HN 0.174 nan 8.180 nan 0.000 0.530 362 E N 0.845 121.160 120.200 0.191 0.000 2.031 362 E HA -0.235 4.115 4.350 0.000 0.000 0.193 362 E C 1.864 178.585 176.600 0.201 0.000 0.994 362 E CA 1.980 58.519 56.400 0.232 0.000 0.800 362 E CB -0.777 29.052 29.700 0.215 0.000 0.752 362 E HN 0.482 nan 8.360 nan 0.000 0.447 363 K N -0.375 120.126 120.400 0.169 0.000 2.442 363 K HA -0.127 4.193 4.320 0.000 0.000 0.198 363 K C 1.958 178.666 176.600 0.179 0.000 1.042 363 K CA 0.889 57.261 56.287 0.141 0.000 0.958 363 K CB -0.356 32.204 32.500 0.099 0.000 0.766 363 K HN 0.097 nan 8.250 nan 0.000 0.474 364 W N 1.864 123.191 121.300 0.046 0.000 2.444 364 W HA 0.116 4.776 4.660 0.000 0.000 0.308 364 W C 1.522 178.115 176.519 0.123 0.000 1.183 364 W CA 0.857 58.243 57.345 0.069 0.000 1.340 364 W CB -0.126 29.353 29.460 0.030 0.000 1.138 364 W HN -0.102 nan 8.180 nan 0.000 0.510 365 I N 1.252 121.826 120.570 0.006 0.000 2.264 365 I HA -0.355 3.815 4.170 0.000 0.000 0.248 365 I C 2.261 178.276 176.117 -0.170 0.000 1.111 365 I CA 1.910 63.063 61.300 -0.244 0.000 1.382 365 I CB -0.862 37.194 38.000 0.093 0.000 1.060 365 I HN 0.150 nan 8.210 nan 0.000 0.418 366 N N 0.708 119.399 118.700 -0.014 0.000 2.043 366 N HA -0.304 4.436 4.740 0.000 0.000 0.193 366 N C 1.988 177.487 175.510 -0.018 0.000 1.037 366 N CA 1.734 54.788 53.050 0.007 0.000 0.851 366 N CB -0.405 38.121 38.487 0.065 0.000 1.027 366 N HN 0.328 nan 8.380 nan 0.000 0.422 367 Y N 1.095 121.305 120.300 -0.149 0.000 2.128 367 Y HA -0.183 4.367 4.550 0.000 0.000 0.284 367 Y C 2.260 178.017 175.900 -0.238 0.000 1.154 367 Y CA 1.995 59.997 58.100 -0.163 0.000 1.149 367 Y CB -0.647 37.726 38.460 -0.145 0.000 0.976 367 Y HN 0.160 nan 8.280 nan 0.000 0.505 368 E N -0.528 119.427 120.200 -0.409 0.000 2.110 368 E HA -0.139 4.211 4.350 0.000 0.000 0.193 368 E C 2.248 178.614 176.600 -0.390 0.000 0.988 368 E CA 1.378 57.459 56.400 -0.531 0.000 0.804 368 E CB -0.372 28.931 29.700 -0.663 0.000 0.745 368 E HN 0.373 nan 8.360 nan 0.000 0.458 369 V N 0.861 120.604 119.914 -0.285 0.000 2.427 369 V HA -0.165 3.955 4.120 0.000 0.000 0.248 369 V C 1.100 177.087 176.094 -0.179 0.000 1.051 369 V CA 1.238 63.420 62.300 -0.197 0.000 1.048 369 V CB -0.344 31.407 31.823 -0.120 0.000 0.666 369 V HN 0.260 nan 8.190 nan 0.000 0.456 373 N N 0.128 118.799 118.700 -0.047 0.000 2.223 373 N HA -0.135 4.605 4.740 0.000 0.000 0.185 373 N C 1.979 177.537 175.510 0.079 0.000 1.016 373 N CA 1.197 54.255 53.050 0.013 0.000 0.863 373 N CB -0.070 38.397 38.487 -0.033 0.000 0.983 373 N HN 0.547 nan 8.380 nan 0.000 0.429 374 R N 1.625 122.133 120.500 0.013 0.000 2.061 374 R HA -0.113 4.228 4.340 0.000 0.000 0.230 374 R C 1.898 178.226 176.300 0.046 0.000 1.140 374 R CA 1.449 57.560 56.100 0.019 0.000 0.940 374 R CB -0.166 30.114 30.300 -0.034 0.000 0.839 374 R HN 0.286 nan 8.270 nan 0.000 0.429 375 Q N -0.375 119.437 119.800 0.020 0.000 2.152 375 Q HA -0.230 4.110 4.340 0.000 0.000 0.206 375 Q C 1.953 177.997 176.000 0.073 0.000 0.985 375 Q CA 2.079 57.895 55.803 0.022 0.000 0.863 375 Q CB -0.318 28.416 28.738 -0.006 0.000 0.904 375 Q HN 0.366 nan 8.270 nan 0.000 0.422 376 F N 0.943 120.895 119.950 0.003 0.000 2.171 376 F HA -0.177 4.351 4.527 0.000 0.000 0.300 376 F C 1.811 177.621 175.800 0.017 0.000 1.090 376 F CA 1.136 59.167 58.000 0.050 0.000 1.293 376 F CB -0.022 39.031 39.000 0.088 0.000 1.013 376 F HN -0.042 nan 8.300 nan 0.000 0.486 377 I N 0.400 121.090 120.570 0.200 0.000 2.163 377 I HA -0.344 3.826 4.170 0.000 0.000 0.240 377 I C 1.927 178.016 176.117 -0.048 0.000 1.081 377 I CA 1.812 63.163 61.300 0.086 0.000 1.353 377 I CB -0.777 37.300 38.000 0.127 0.000 1.054 377 I HN 0.143 nan 8.210 nan 0.000 0.407 378 N N 1.233 119.918 118.700 -0.024 0.000 2.091 378 N HA -0.218 4.522 4.740 0.000 0.000 0.193 378 N C 1.646 177.111 175.510 -0.076 0.000 1.021 378 N CA 1.744 54.772 53.050 -0.036 0.000 0.862 378 N CB -0.434 38.040 38.487 -0.021 0.000 1.018 378 N HN 0.528 nan 8.380 nan 0.000 0.429 379 I N -4.540 115.949 120.570 -0.136 0.000 3.684 379 I HA 0.190 4.360 4.170 0.000 0.000 0.304 379 I C 1.037 176.994 176.117 -0.266 0.000 1.278 379 I CA 0.781 61.987 61.300 -0.158 0.000 1.272 379 I CB 0.371 38.288 38.000 -0.140 0.000 1.029 379 I HN -0.096 nan 8.210 nan 0.000 0.458 380 T N 0.656 115.004 114.554 -0.344 0.000 3.041 380 T HA 0.121 4.471 4.350 0.000 0.000 0.276 380 T C 1.561 176.201 174.700 -0.099 0.000 0.948 380 T CA 0.167 61.971 62.100 -0.493 0.000 0.885 380 T CB 0.152 68.365 68.868 -1.091 0.000 1.175 380 T HN 0.526 nan 8.240 nan 0.000 0.529 381 K N 0.828 121.211 120.400 -0.028 0.000 2.283 381 K HA 0.075 4.396 4.320 0.000 0.000 0.202 381 K C 0.387 177.042 176.600 0.092 0.000 1.048 381 K CA 0.746 57.069 56.287 0.060 0.000 0.948 381 K CB -0.031 32.492 32.500 0.038 0.000 0.742 381 K HN 0.272 nan 8.250 nan 0.000 0.458 382 N N 0.809 119.565 118.700 0.093 0.000 2.328 382 N HA 0.174 4.914 4.740 0.000 0.000 0.299 382 N C -2.369 173.226 175.510 0.142 0.000 1.179 382 N CA -2.207 50.901 53.050 0.097 0.000 0.793 382 N CB 2.073 40.599 38.487 0.065 0.000 1.366 382 N HN -0.185 nan 8.380 nan 0.000 0.493 383 P HA -0.093 nan 4.420 nan 0.000 0.226 383 P C 0.163 177.561 177.300 0.163 0.000 1.153 383 P CA 1.228 64.398 63.100 0.116 0.000 0.777 383 P CB 0.428 32.151 31.700 0.038 0.000 0.794 384 E N 0.575 120.850 120.200 0.125 0.000 2.072 384 E HA -0.131 4.219 4.350 0.000 0.000 0.191 384 E C 1.617 178.303 176.600 0.143 0.000 0.985 384 E CA 1.106 57.577 56.400 0.118 0.000 0.801 384 E CB -0.852 28.892 29.700 0.073 0.000 0.750 384 E HN 0.293 nan 8.360 nan 0.000 0.452 385 D N -0.031 120.454 120.400 0.141 0.000 2.350 385 D HA -0.133 4.508 4.640 0.000 0.000 0.216 385 D C 1.477 177.889 176.300 0.188 0.000 0.968 385 D CA 0.278 54.348 54.000 0.117 0.000 0.894 385 D CB -0.227 40.610 40.800 0.062 0.000 0.909 385 D HN 0.140 nan 8.370 nan 0.000 0.520 386 F N 3.143 123.195 119.950 0.171 0.000 2.043 386 F HA -0.150 4.377 4.527 0.000 0.000 0.297 386 F C -0.822 175.153 175.800 0.292 0.000 1.121 386 F CA 1.295 59.453 58.000 0.262 0.000 1.199 386 F CB -1.417 37.694 39.000 0.186 0.000 0.968 386 F HN -0.035 nan 8.300 nan 0.000 0.478 387 P HA -0.232 nan 4.420 nan 0.000 0.219 387 P C 0.175 177.352 177.300 -0.204 0.000 1.144 387 P CA 1.979 65.013 63.100 -0.110 0.000 0.806 387 P CB -0.179 31.555 31.700 0.058 0.000 0.771 388 K N -0.709 119.577 120.400 -0.190 0.000 2.826 388 K HA 0.160 4.480 4.320 0.000 0.000 0.206 388 K C 1.630 178.110 176.600 -0.200 0.000 1.116 388 K CA 0.056 56.204 56.287 -0.232 0.000 1.045 388 K CB 0.460 32.884 32.500 -0.126 0.000 0.758 388 K HN 0.071 nan 8.250 nan 0.000 0.465 389 S N 0.020 115.594 115.700 -0.210 0.000 2.355 389 S HA -0.178 4.292 4.470 0.000 0.000 0.222 389 S C 2.073 176.665 174.600 -0.013 0.000 1.031 389 S CA 1.659 59.833 58.200 -0.043 0.000 0.993 389 S CB -0.263 63.035 63.200 0.164 0.000 0.859 389 S HN 0.264 nan 8.310 nan 0.000 0.453 390 S N 1.467 117.094 115.700 -0.122 0.000 2.383 390 S HA -0.134 4.336 4.470 0.000 0.000 0.227 390 S C 2.120 176.824 174.600 0.172 0.000 1.026 390 S CA 0.955 59.191 58.200 0.059 0.000 0.981 390 S CB -0.756 62.543 63.200 0.166 0.000 0.818 390 S HN 0.624 nan 8.310 nan 0.000 0.472 391 Q N 1.386 121.156 119.800 -0.049 0.000 2.050 391 Q HA -0.123 4.218 4.340 0.000 0.000 0.202 391 Q C 1.706 177.741 176.000 0.058 0.000 0.980 391 Q CA 1.477 57.294 55.803 0.023 0.000 0.840 391 Q CB -0.167 28.477 28.738 -0.157 0.000 0.898 391 Q HN 0.534 nan 8.270 nan 0.000 0.424 392 N N -0.228 118.473 118.700 0.001 0.000 2.270 392 N HA -0.116 4.625 4.740 0.000 0.000 0.181 392 N C 1.460 176.983 175.510 0.021 0.000 1.016 392 N CA 0.675 53.725 53.050 -0.000 0.000 0.870 392 N CB -0.308 38.163 38.487 -0.027 0.000 0.979 392 N HN 0.207 nan 8.380 nan 0.000 0.431 393 F N 2.240 122.106 119.950 -0.141 0.000 2.075 393 F HA -0.143 4.384 4.527 0.000 0.000 0.297 393 F C 2.166 177.902 175.800 -0.107 0.000 1.113 393 F CA 1.011 58.901 58.000 -0.182 0.000 1.218 393 F CB -0.609 38.109 39.000 -0.469 0.000 0.984 393 F HN -0.244 nan 8.300 nan 0.000 0.472 394 V N 0.836 120.660 119.914 -0.151 0.000 2.469 394 V HA -0.330 3.790 4.120 0.000 0.000 0.251 394 V C 2.411 178.403 176.094 -0.171 0.000 1.064 394 V CA 2.211 64.371 62.300 -0.234 0.000 1.066 394 V CB -0.786 30.966 31.823 -0.119 0.000 0.667 394 V HN 0.319 nan 8.190 nan 0.000 0.461 395 K N -0.505 119.846 120.400 -0.082 0.000 2.057 395 K HA -0.148 4.172 4.320 0.000 0.000 0.206 395 K C 2.114 178.675 176.600 -0.064 0.000 1.050 395 K CA 1.311 57.570 56.287 -0.047 0.000 0.935 395 K CB -0.353 32.139 32.500 -0.015 0.000 0.715 395 K HN 0.315 nan 8.250 nan 0.000 0.439 396 L N 1.718 122.873 121.223 -0.112 0.000 2.046 396 L HA -0.157 4.183 4.340 0.000 0.000 0.208 396 L C 1.892 178.699 176.870 -0.106 0.000 1.077 396 L CA 1.556 56.336 54.840 -0.101 0.000 0.747 396 L CB -0.290 41.708 42.059 -0.101 0.000 0.896 396 L HN 0.154 nan 8.230 nan 0.000 0.432 397 I N -0.348 120.078 120.570 -0.239 0.000 2.142 397 I HA -0.303 3.867 4.170 0.000 0.000 0.240 397 I C 2.167 178.377 176.117 0.155 0.000 1.078 397 I CA 1.323 62.582 61.300 -0.068 0.000 1.343 397 I CB -0.506 37.333 38.000 -0.269 0.000 1.046 397 I HN 0.401 nan 8.210 nan 0.000 0.405 398 N N 0.930 119.652 118.700 0.037 0.000 2.104 398 N HA -0.216 4.524 4.740 0.000 0.000 0.190 398 N C 1.852 177.481 175.510 0.198 0.000 1.024 398 N CA 1.079 54.188 53.050 0.100 0.000 0.853 398 N CB -0.371 38.125 38.487 0.014 0.000 1.008 398 N HN 0.229 nan 8.380 nan 0.000 0.424 399 K N 1.704 122.180 120.400 0.126 0.000 2.020 399 K HA -0.079 4.242 4.320 0.000 0.000 0.212 399 K C 2.103 178.832 176.600 0.215 0.000 1.050 399 K CA 0.988 57.356 56.287 0.135 0.000 0.929 399 K CB -0.625 31.911 32.500 0.060 0.000 0.714 399 K HN 0.192 nan 8.250 nan 0.000 0.443 400 I N 0.030 120.725 120.570 0.209 0.000 2.163 400 I HA -0.316 3.854 4.170 0.000 0.000 0.243 400 I C 2.476 178.885 176.117 0.486 0.000 1.085 400 I CA 1.507 62.966 61.300 0.265 0.000 1.347 400 I CB -0.458 37.589 38.000 0.079 0.000 1.044 400 I HN 0.184 nan 8.210 nan 0.000 0.408 401 Y N 1.958 122.566 120.300 0.513 0.000 2.165 401 Y HA -0.336 4.215 4.550 0.000 0.000 0.286 401 Y C 2.012 178.104 175.900 0.320 0.000 1.155 401 Y CA 2.021 60.434 58.100 0.521 0.000 1.164 401 Y CB -0.454 38.211 38.460 0.341 0.000 0.978 401 Y HN 0.214 nan 8.280 nan 0.000 0.513 402 D N -1.227 119.460 120.400 0.480 0.000 2.123 402 D HA -0.240 4.400 4.640 0.000 0.000 0.196 402 D C 1.855 178.280 176.300 0.209 0.000 0.992 402 D CA 1.737 55.933 54.000 0.327 0.000 0.833 402 D CB -0.547 40.414 40.800 0.268 0.000 0.954 402 D HN 0.496 nan 8.370 nan 0.000 0.455 403 Y N 1.184 121.568 120.300 0.139 0.000 2.097 403 Y HA -0.143 4.407 4.550 0.000 0.000 0.282 403 Y C 1.694 177.643 175.900 0.082 0.000 1.152 403 Y CA 1.412 59.577 58.100 0.107 0.000 1.136 403 Y CB -0.464 38.058 38.460 0.105 0.000 0.975 403 Y HN -0.034 nan 8.280 nan 0.000 0.498 404 L N 0.618 121.726 121.223 -0.191 0.000 2.549 404 L HA -0.126 4.214 4.340 0.000 0.000 0.229 404 L C 2.379 179.000 176.870 -0.415 0.000 1.158 404 L CA 1.163 55.771 54.840 -0.387 0.000 0.842 404 L CB -0.707 41.115 42.059 -0.395 0.000 0.952 404 L HN 0.397 nan 8.230 nan 0.000 0.452 405 E N 1.762 121.818 120.200 -0.239 0.000 2.055 405 E HA -0.244 4.106 4.350 0.000 0.000 0.209 405 E C -0.650 175.913 176.600 -0.062 0.000 1.036 405 E CA 2.047 58.382 56.400 -0.109 0.000 0.849 405 E CB -0.750 28.957 29.700 0.011 0.000 0.767 405 E HN 0.303 nan 8.360 nan 0.000 0.461 406 P HA -0.146 nan 4.420 nan 0.000 0.231 406 P C 1.056 178.360 177.300 0.005 0.000 1.158 406 P CA 0.921 64.008 63.100 -0.022 0.000 0.763 406 P CB -0.193 31.489 31.700 -0.029 0.000 0.805 407 F N -0.483 119.333 119.950 -0.223 0.000 2.374 407 F HA 0.051 4.578 4.527 0.000 0.000 0.291 407 F C 1.898 177.618 175.800 -0.132 0.000 1.084 407 F CA 0.523 58.389 58.000 -0.223 0.000 1.413 407 F CB -0.531 38.270 39.000 -0.331 0.000 1.099 407 F HN -0.306 nan 8.300 nan 0.000 0.534 408 Y N 0.909 121.022 120.300 -0.312 0.000 2.395 408 Y HA -0.050 4.500 4.550 0.000 0.000 0.293 408 Y C 2.110 177.839 175.900 -0.285 0.000 1.123 408 Y CA 0.780 58.624 58.100 -0.427 0.000 1.227 408 Y CB -1.137 37.069 38.460 -0.424 0.000 1.012 408 Y HN 0.067 nan 8.280 nan 0.000 0.552 409 D N 0.228 120.621 120.400 -0.012 0.000 2.104 409 D HA -0.129 4.511 4.640 0.000 0.000 0.194 409 D C 0.615 176.904 176.300 -0.018 0.000 0.994 409 D CA 0.813 54.822 54.000 0.015 0.000 0.830 409 D CB -0.483 40.335 40.800 0.030 0.000 0.959 409 D HN 0.141 nan 8.370 nan 0.000 0.452 410 L N 0.948 122.143 121.223 -0.048 0.000 2.593 410 L HA -0.098 4.242 4.340 0.000 0.000 0.287 410 L C 1.254 178.103 176.870 -0.035 0.000 1.243 410 L CA 0.215 55.040 54.840 -0.026 0.000 0.890 410 L CB 0.341 42.392 42.059 -0.013 0.000 1.134 410 L HN -0.066 nan 8.230 nan 0.000 0.502 411 D N 1.435 121.847 120.400 0.020 0.000 2.392 411 D HA -0.071 4.569 4.640 0.000 0.000 0.206 411 D C 0.719 177.055 176.300 0.059 0.000 1.046 411 D CA -0.284 53.722 54.000 0.010 0.000 0.865 411 D CB 0.198 41.005 40.800 0.013 0.000 0.969 411 D HN 0.290 nan 8.370 nan 0.000 0.509 412 F N 2.871 122.783 119.950 -0.064 0.000 2.258 412 F HA -0.090 4.438 4.527 0.000 0.000 0.342 412 F C 1.218 176.979 175.800 -0.065 0.000 1.093 412 F CA -0.147 57.826 58.000 -0.046 0.000 0.882 412 F CB -0.284 38.708 39.000 -0.015 0.000 0.852 412 F HN 0.074 nan 8.300 nan 0.000 0.525 413 D N 3.992 124.283 120.400 -0.181 0.000 2.384 413 D HA -0.250 4.390 4.640 0.000 0.000 0.222 413 D C 1.895 177.960 176.300 -0.392 0.000 0.976 413 D CA 0.823 54.674 54.000 -0.249 0.000 0.915 413 D CB -0.357 40.351 40.800 -0.154 0.000 0.896 413 D HN 0.663 nan 8.370 nan 0.000 0.523 414 L N 0.363 121.152 121.223 -0.725 0.000 2.478 414 L HA 0.059 4.400 4.340 0.000 0.000 0.223 414 L C 1.873 178.443 176.870 -0.500 0.000 1.140 414 L CA 0.386 54.836 54.840 -0.650 0.000 0.842 414 L CB -0.078 41.452 42.059 -0.881 0.000 0.953 414 L HN 0.171 nan 8.230 nan 0.000 0.452 415 L N -3.596 117.342 121.223 -0.476 0.000 2.910 415 L HA 0.207 4.547 4.340 0.000 0.000 0.252 415 L C 1.509 178.268 176.870 -0.184 0.000 1.195 415 L CA -0.040 54.661 54.840 -0.232 0.000 1.003 415 L CB 0.238 42.165 42.059 -0.221 0.000 1.328 415 L HN -0.034 nan 8.230 nan 0.000 0.540 416 V N 0.940 120.713 119.914 -0.236 0.000 2.626 416 V HA -0.193 3.928 4.120 0.000 0.000 0.252 416 V C 2.749 178.748 176.094 -0.158 0.000 1.067 416 V CA 1.891 64.086 62.300 -0.176 0.000 1.081 416 V CB -0.417 31.305 31.823 -0.169 0.000 0.686 416 V HN 0.773 nan 8.190 nan 0.000 0.468 417 R N -0.951 119.376 120.500 -0.289 0.000 2.091 417 R HA -0.202 4.138 4.340 0.000 0.000 0.238 417 R C 2.110 178.250 176.300 -0.267 0.000 1.136 417 R CA 2.545 58.431 56.100 -0.357 0.000 0.959 417 R CB -0.553 29.381 30.300 -0.611 0.000 0.856 417 R HN 0.680 nan 8.270 nan 0.000 0.437 418 Y N 0.101 120.426 120.300 0.042 0.000 2.457 418 Y HA 0.027 4.577 4.550 0.000 0.000 0.292 418 Y C 2.287 178.376 175.900 0.316 0.000 1.125 418 Y CA 0.639 58.842 58.100 0.172 0.000 1.254 418 Y CB 0.133 38.685 38.460 0.153 0.000 1.012 418 Y HN 0.018 nan 8.280 nan 0.000 0.555 419 K N 0.431 121.044 120.400 0.355 0.000 2.062 419 K HA -0.045 4.275 4.320 0.000 0.000 0.205 419 K C 0.840 177.629 176.600 0.315 0.000 1.051 419 K CA 0.509 57.028 56.287 0.386 0.000 0.941 419 K CB -0.208 32.359 32.500 0.112 0.000 0.719 419 K HN 0.191 nan 8.250 nan 0.000 0.440 423 C N 1.514 121.042 119.300 0.380 0.000 2.442 423 C HA 0.084 4.545 4.460 0.000 0.000 0.279 423 C C 2.847 177.916 174.990 0.130 0.000 1.237 423 C CA 2.110 61.298 59.018 0.283 0.000 1.722 423 C CB -1.083 26.712 27.740 0.092 0.000 2.056 423 C HN 0.661 nan 8.230 nan 0.000 0.469 424 S N 0.719 116.458 115.700 0.065 0.000 2.345 424 S HA -0.040 4.430 4.470 0.000 0.000 0.220 424 S C 1.471 176.101 174.600 0.049 0.000 1.031 424 S CA 1.556 59.777 58.200 0.035 0.000 0.996 424 S CB -0.417 62.796 63.200 0.022 0.000 0.882 424 S HN 0.628 nan 8.310 nan 0.000 0.445 425 L N 0.549 121.800 121.223 0.047 0.000 2.610 425 L HA 0.194 4.535 4.340 0.000 0.000 0.232 425 L C 1.253 178.105 176.870 -0.029 0.000 1.149 425 L CA 0.457 55.305 54.840 0.013 0.000 0.872 425 L CB -0.279 41.789 42.059 0.015 0.000 0.992 425 L HN 0.323 nan 8.230 nan 0.000 0.447 426 I N -3.231 117.320 120.570 -0.032 0.000 3.626 426 I HA 0.108 4.278 4.170 0.000 0.000 0.256 426 I C 0.598 176.625 176.117 -0.150 0.000 1.105 426 I CA -0.302 60.898 61.300 -0.167 0.000 1.656 426 I CB 0.076 37.874 38.000 -0.338 0.000 1.672 426 I HN -0.187 nan 8.210 nan 0.000 0.421 430 L N 1.752 122.987 121.223 0.020 0.000 2.051 430 L HA -0.160 4.180 4.340 0.000 0.000 0.214 430 L C 2.352 179.413 176.870 0.318 0.000 1.076 430 L CA 2.124 57.008 54.840 0.074 0.000 0.758 430 L CB -0.951 41.239 42.059 0.219 0.000 0.890 430 L HN 0.344 nan 8.230 nan 0.000 0.433 431 T N -0.516 114.268 114.554 0.383 0.000 2.607 431 T HA -0.207 4.143 4.350 0.000 0.000 0.267 431 T C 2.060 176.975 174.700 0.359 0.000 1.049 431 T CA 2.090 64.435 62.100 0.409 0.000 1.162 431 T CB -0.190 68.791 68.868 0.188 0.000 0.863 431 T HN 0.609 nan 8.240 nan 0.000 0.424 432 S N 1.265 117.120 115.700 0.257 0.000 2.436 432 S HA -0.040 4.430 4.470 0.000 0.000 0.228 432 S C 2.198 176.875 174.600 0.128 0.000 1.014 432 S CA 1.092 59.438 58.200 0.243 0.000 0.950 432 S CB -0.469 62.835 63.200 0.174 0.000 0.784 432 S HN 0.573 nan 8.310 nan 0.000 0.504 433 S N 0.033 115.745 115.700 0.021 0.000 2.555 433 S HA -0.036 4.434 4.470 0.000 0.000 0.230 433 S C 1.501 176.110 174.600 0.015 0.000 0.978 433 S CA 0.287 58.426 58.200 -0.101 0.000 0.934 433 S CB -0.736 62.253 63.200 -0.352 0.000 0.766 433 S HN 0.639 nan 8.310 nan 0.000 0.533 434 Y N 1.556 121.863 120.300 0.012 0.000 2.262 434 Y HA 0.266 4.816 4.550 0.000 0.000 0.295 434 Y C 1.949 177.928 175.900 0.133 0.000 1.121 434 Y CA 0.786 58.961 58.100 0.124 0.000 1.144 434 Y CB -0.657 37.538 38.460 -0.441 0.000 1.043 434 Y HN 0.307 nan 8.280 nan 0.000 0.528 435 L N 0.998 122.240 121.223 0.031 0.000 2.263 435 L HA -0.179 4.161 4.340 0.000 0.000 0.216 435 L C 1.619 178.392 176.870 -0.161 0.000 1.111 435 L CA 2.300 57.011 54.840 -0.215 0.000 0.773 435 L CB -1.020 40.869 42.059 -0.284 0.000 0.906 435 L HN 0.366 nan 8.230 nan 0.000 0.439 436 D N -1.832 118.542 120.400 -0.042 0.000 2.084 436 D HA -0.286 4.354 4.640 0.000 0.000 0.199 436 D C 2.128 178.421 176.300 -0.012 0.000 0.981 436 D CA 1.533 55.523 54.000 -0.017 0.000 0.841 436 D CB -0.383 40.437 40.800 0.033 0.000 0.997 436 D HN 0.458 nan 8.370 nan 0.000 0.454 437 Y N 0.841 121.095 120.300 -0.077 0.000 2.173 437 Y HA -0.241 4.309 4.550 0.000 0.000 0.282 437 Y C 1.966 177.776 175.900 -0.150 0.000 1.192 437 Y CA 1.662 59.719 58.100 -0.072 0.000 1.176 437 Y CB -0.269 38.183 38.460 -0.013 0.000 0.969 437 Y HN 0.118 nan 8.280 nan 0.000 0.519 438 I N -0.161 120.272 120.570 -0.229 0.000 2.500 438 I HA -0.217 3.953 4.170 0.000 0.000 0.252 438 I C 1.476 177.456 176.117 -0.228 0.000 1.142 438 I CA 0.895 62.036 61.300 -0.265 0.000 1.451 438 I CB -0.134 37.735 38.000 -0.218 0.000 1.093 438 I HN 0.265 nan 8.210 nan 0.000 0.430 439 L N 0.787 121.893 121.223 -0.194 0.000 2.645 439 L HA 0.059 4.400 4.340 0.000 0.000 0.234 439 L C -0.249 176.531 176.870 -0.150 0.000 1.165 439 L CA 0.323 55.070 54.840 -0.156 0.000 0.944 439 L CB -0.503 41.479 42.059 -0.128 0.000 1.149 439 L HN 0.290 nan 8.230 nan 0.000 0.446 440 T N -2.709 111.726 114.554 -0.197 0.000 3.746 440 T HA 0.436 4.786 4.350 0.000 0.000 0.254 440 T C -0.675 173.873 174.700 -0.253 0.000 0.628 440 T CA -0.510 61.483 62.100 -0.179 0.000 1.163 440 T CB 0.409 69.211 68.868 -0.109 0.000 1.083 440 T HN -0.166 nan 8.240 nan 0.000 0.521 441 V N 1.129 120.859 119.914 -0.307 0.000 2.946 441 V HA 0.465 4.586 4.120 0.000 0.000 0.258 441 V C -2.128 173.741 176.094 -0.376 0.000 1.726 441 V CA -0.546 61.537 62.300 -0.362 0.000 0.940 441 V CB 2.287 33.731 31.823 -0.631 0.000 1.309 441 V HN 0.830 nan 8.190 nan 0.000 0.458 442 D N 2.455 122.673 120.400 -0.303 0.000 2.649 442 D HA 0.543 5.183 4.640 0.000 0.000 0.249 442 D C 0.496 176.626 176.300 -0.283 0.000 1.112 442 D CA 0.380 54.197 54.000 -0.305 0.000 0.850 442 D CB 2.440 43.121 40.800 -0.197 0.000 1.399 442 D HN 0.695 nan 8.370 nan 0.000 0.503 443 S N 2.243 117.724 115.700 -0.365 0.000 2.539 443 S HA 0.226 4.696 4.470 0.000 0.000 0.221 443 S C 0.940 175.465 174.600 -0.126 0.000 0.987 443 S CA -0.415 57.651 58.200 -0.223 0.000 0.929 443 S CB 0.120 63.164 63.200 -0.259 0.000 0.832 443 S HN 0.355 nan 8.310 nan 0.000 0.492 444 L N 2.939 124.075 121.223 -0.146 0.000 2.397 444 L HA 0.341 4.682 4.340 0.000 0.000 0.271 444 L C 0.337 177.169 176.870 -0.064 0.000 1.148 444 L CA -0.790 53.998 54.840 -0.086 0.000 0.825 444 L CB 0.232 42.234 42.059 -0.094 0.000 1.117 444 L HN 0.210 nan 8.230 nan 0.000 0.456 445 N N 1.808 120.484 118.700 -0.040 0.000 2.260 445 N HA -0.101 4.639 4.740 0.000 0.000 0.230 445 N C 0.969 176.457 175.510 -0.037 0.000 1.323 445 N CA -0.111 52.920 53.050 -0.031 0.000 0.897 445 N CB 0.411 38.887 38.487 -0.019 0.000 1.146 445 N HN 0.675 nan 8.380 nan 0.000 0.460 446 E N 0.012 120.194 120.200 -0.030 0.000 2.114 446 E HA -0.187 4.163 4.350 0.000 0.000 0.199 446 E C -0.339 176.241 176.600 -0.032 0.000 1.008 446 E CA 1.109 57.491 56.400 -0.031 0.000 0.810 446 E CB 0.080 29.766 29.700 -0.023 0.000 0.739 446 E HN 0.445 nan 8.360 nan 0.000 0.456 447 T N 1.762 116.298 114.554 -0.029 0.000 2.767 447 T HA 0.354 4.704 4.350 0.000 0.000 0.288 447 T C -0.325 174.354 174.700 -0.035 0.000 0.963 447 T CA -0.646 61.436 62.100 -0.029 0.000 1.019 447 T CB 1.076 69.930 68.868 -0.023 0.000 0.923 447 T HN 0.253 nan 8.240 nan 0.000 0.468 448 R N 1.061 121.537 120.500 -0.041 0.000 2.817 448 R HA 0.717 5.057 4.340 0.000 0.000 0.268 448 R C -1.372 174.895 176.300 -0.053 0.000 1.027 448 R CA -0.977 55.093 56.100 -0.049 0.000 0.928 448 R CB 1.000 31.266 30.300 -0.057 0.000 1.228 448 R HN 0.386 nan 8.270 nan 0.000 0.469 449 T N 0.952 115.467 114.554 -0.066 0.000 2.859 449 T HA 0.199 4.549 4.350 0.000 0.000 0.281 449 T C 0.789 175.435 174.700 -0.091 0.000 1.005 449 T CA -0.801 61.252 62.100 -0.078 0.000 1.025 449 T CB 1.860 70.672 68.868 -0.094 0.000 0.977 449 T HN 0.664 nan 8.240 nan 0.000 0.458 450 K N 1.813 122.164 120.400 -0.082 0.000 2.127 450 K HA -0.221 4.099 4.320 0.000 0.000 0.208 450 K C 1.924 178.456 176.600 -0.113 0.000 1.047 450 K CA 1.758 57.997 56.287 -0.080 0.000 0.927 450 K CB 0.083 32.544 32.500 -0.064 0.000 0.716 450 K HN 0.724 nan 8.250 nan 0.000 0.450 451 E N 0.124 120.225 120.200 -0.165 0.000 2.152 451 E HA -0.180 4.170 4.350 0.000 0.000 0.192 451 E C 1.914 178.277 176.600 -0.394 0.000 0.983 451 E CA 0.915 57.138 56.400 -0.295 0.000 0.818 451 E CB 0.173 29.665 29.700 -0.346 0.000 0.758 451 E HN 0.418 nan 8.360 nan 0.000 0.467 452 Q N 0.143 119.793 119.800 -0.251 0.000 2.119 452 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 452 Q C 1.927 177.884 176.000 -0.072 0.000 0.972 452 Q CA 1.230 56.938 55.803 -0.159 0.000 0.847 452 Q CB 0.022 28.706 28.738 -0.091 0.000 0.903 452 Q HN 0.365 nan 8.270 nan 0.000 0.433 453 E N 0.666 120.817 120.200 -0.082 0.000 2.150 453 E HA -0.176 4.174 4.350 0.000 0.000 0.193 453 E C 1.983 178.569 176.600 -0.023 0.000 0.985 453 E CA 0.672 57.036 56.400 -0.060 0.000 0.814 453 E CB -0.064 29.597 29.700 -0.066 0.000 0.752 453 E HN 0.186 nan 8.360 nan 0.000 0.466 454 L N 0.221 121.434 121.223 -0.017 0.000 2.056 454 L HA -0.151 4.189 4.340 0.000 0.000 0.207 454 L C 2.028 179.013 176.870 0.191 0.000 1.078 454 L CA 1.642 56.515 54.840 0.055 0.000 0.749 454 L CB -0.485 41.602 42.059 0.047 0.000 0.901 454 L HN 0.015 nan 8.230 nan 0.000 0.433 455 Y N 0.142 120.429 120.300 -0.022 0.000 2.352 455 Y HA -0.176 4.375 4.550 0.000 0.000 0.292 455 Y C 2.806 178.703 175.900 -0.004 0.000 1.136 455 Y CA 1.305 59.399 58.100 -0.010 0.000 1.227 455 Y CB -0.800 37.659 38.460 -0.001 0.000 0.991 455 Y HN 0.478 nan 8.280 nan 0.000 0.545 456 Q N 0.172 120.056 119.800 0.139 0.000 2.049 456 Q HA -0.087 4.253 4.340 0.000 0.000 0.198 456 Q C 0.925 176.935 176.000 0.017 0.000 0.971 456 Q CA 1.513 57.346 55.803 0.050 0.000 0.833 456 Q CB -0.069 28.625 28.738 -0.074 0.000 0.896 456 Q HN 0.508 nan 8.270 nan 0.000 0.434 460 K N -0.017 120.336 120.400 -0.077 0.000 2.009 460 K HA -0.122 4.199 4.320 0.000 0.000 0.210 460 K C 1.881 178.476 176.600 -0.008 0.000 1.049 460 K CA 1.757 58.019 56.287 -0.041 0.000 0.929 460 K CB -0.311 32.194 32.500 0.009 0.000 0.714 460 K HN 0.381 nan 8.250 nan 0.000 0.440 461 L N 2.033 123.249 121.223 -0.010 0.000 2.051 461 L HA -0.288 4.052 4.340 0.000 0.000 0.214 461 L C 2.401 179.311 176.870 0.067 0.000 1.076 461 L CA 1.834 56.680 54.840 0.010 0.000 0.758 461 L CB -0.646 41.407 42.059 -0.010 0.000 0.890 461 L HN 0.266 nan 8.230 nan 0.000 0.433 462 Q N -1.537 118.300 119.800 0.062 0.000 2.079 462 Q HA -0.224 4.117 4.340 0.000 0.000 0.200 462 Q C 2.178 178.353 176.000 0.292 0.000 0.974 462 Q CA 1.870 57.754 55.803 0.135 0.000 0.840 462 Q CB -0.239 28.550 28.738 0.085 0.000 0.898 462 Q HN 0.746 nan 8.270 nan 0.000 0.430 463 H N -1.016 118.132 119.070 0.129 0.000 2.387 463 H HA -0.103 4.453 4.556 0.000 0.000 0.299 463 H C 2.244 177.800 175.328 0.380 0.000 1.090 463 H CA 1.004 57.186 56.048 0.223 0.000 1.332 463 H CB 0.343 30.212 29.762 0.178 0.000 1.386 463 H HN 0.109 nan 8.280 nan 0.000 0.516 464 V N 1.511 121.676 119.914 0.417 0.000 2.223 464 V HA -0.301 3.819 4.120 0.000 0.000 0.244 464 V C 2.229 178.597 176.094 0.457 0.000 1.045 464 V CA 2.162 64.695 62.300 0.388 0.000 1.000 464 V CB -0.603 31.299 31.823 0.132 0.000 0.635 464 V HN 0.468 nan 8.190 nan 0.000 0.445 465 N N -0.107 118.789 118.700 0.326 0.000 2.132 465 N HA -0.274 4.466 4.740 0.000 0.000 0.191 465 N C 1.634 177.389 175.510 0.408 0.000 1.015 465 N CA 1.996 55.246 53.050 0.334 0.000 0.864 465 N CB -0.417 38.202 38.487 0.220 0.000 1.006 465 N HN 0.431 nan 8.380 nan 0.000 0.430 466 F N 0.277 120.367 119.950 0.233 0.000 2.102 466 F HA -0.092 4.435 4.527 0.000 0.000 0.298 466 F C 2.131 178.029 175.800 0.163 0.000 1.105 466 F CA 1.092 59.190 58.000 0.164 0.000 1.239 466 F CB -0.544 38.527 39.000 0.119 0.000 0.991 466 F HN -0.053 nan 8.300 nan 0.000 0.474 467 V N -0.676 119.399 119.914 0.269 0.000 2.379 467 V HA -0.283 3.837 4.120 0.000 0.000 0.245 467 V C 2.062 178.181 176.094 0.042 0.000 1.044 467 V CA 1.821 64.210 62.300 0.149 0.000 1.036 467 V CB -1.164 30.885 31.823 0.376 0.000 0.664 467 V HN 0.511 nan 8.190 nan 0.000 0.453 468 Y N 1.615 121.973 120.300 0.097 0.000 2.139 468 Y HA -0.345 4.205 4.550 0.000 0.000 0.282 468 Y C 2.593 178.424 175.900 -0.115 0.000 1.179 468 Y CA 2.204 60.290 58.100 -0.023 0.000 1.161 468 Y CB -0.268 38.304 38.460 0.186 0.000 0.970 468 Y HN 0.089 nan 8.280 nan 0.000 0.511 469 R N 0.575 120.995 120.500 -0.133 0.000 2.080 469 R HA -0.160 4.181 4.340 0.000 0.000 0.236 469 R C 2.302 178.395 176.300 -0.345 0.000 1.137 469 R CA 1.906 57.851 56.100 -0.258 0.000 0.943 469 R CB -0.580 29.603 30.300 -0.195 0.000 0.846 469 R HN 0.195 nan 8.270 nan 0.000 0.431 470 K N 0.557 120.743 120.400 -0.356 0.000 2.063 470 K HA -0.048 4.272 4.320 0.000 0.000 0.208 470 K C 1.805 178.175 176.600 -0.384 0.000 1.048 470 K CA 1.548 57.623 56.287 -0.353 0.000 0.928 470 K CB -0.422 31.874 32.500 -0.339 0.000 0.713 470 K HN 0.196 nan 8.250 nan 0.000 0.442 471 I N 0.452 120.761 120.570 -0.435 0.000 2.099 471 I HA -0.336 3.834 4.170 0.000 0.000 0.239 471 I C 2.267 178.076 176.117 -0.513 0.000 1.066 471 I CA 1.538 62.499 61.300 -0.563 0.000 1.324 471 I CB -0.314 37.320 38.000 -0.609 0.000 1.037 471 I HN 0.205 nan 8.210 nan 0.000 0.401 472 K N 0.170 120.254 120.400 -0.527 0.000 2.160 472 K HA -0.214 4.106 4.320 0.000 0.000 0.206 472 K C 2.349 178.788 176.600 -0.269 0.000 1.047 472 K CA 1.653 57.692 56.287 -0.412 0.000 0.930 472 K CB -0.140 32.057 32.500 -0.505 0.000 0.720 472 K HN 0.192 nan 8.250 nan 0.000 0.450 473 S N 0.783 116.315 115.700 -0.280 0.000 2.345 473 S HA -0.049 4.422 4.470 0.000 0.000 0.219 473 S C 1.853 176.355 174.600 -0.162 0.000 1.031 473 S CA 0.793 58.871 58.200 -0.203 0.000 0.984 473 S CB -0.165 62.901 63.200 -0.222 0.000 0.874 473 S HN 0.222 nan 8.310 nan 0.000 0.451 474 L N 1.845 122.925 121.223 -0.239 0.000 2.081 474 L HA -0.127 4.214 4.340 0.000 0.000 0.212 474 L C 2.573 179.529 176.870 0.142 0.000 1.080 474 L CA 1.645 56.408 54.840 -0.129 0.000 0.754 474 L CB -0.668 41.070 42.059 -0.535 0.000 0.893 474 L HN 0.509 nan 8.230 nan 0.000 0.433 475 S N -1.928 113.786 115.700 0.025 0.000 2.603 475 S HA -0.045 4.425 4.470 0.000 0.000 0.229 475 S C 1.415 176.096 174.600 0.135 0.000 0.972 475 S CA 0.578 58.919 58.200 0.235 0.000 0.935 475 S CB -0.147 63.136 63.200 0.138 0.000 0.769 475 S HN 0.501 nan 8.310 nan 0.000 0.536 476 S N 0.095 115.843 115.700 0.079 0.000 2.780 476 S HA 0.246 4.716 4.470 0.000 0.000 0.248 476 S C 0.087 174.728 174.600 0.070 0.000 1.036 476 S CA -0.702 57.531 58.200 0.054 0.000 1.061 476 S CB -0.523 62.682 63.200 0.009 0.000 1.037 476 S HN 0.484 nan 8.310 nan 0.000 0.584 477 N N 1.900 120.657 118.700 0.095 0.000 2.483 477 N HA 0.050 4.790 4.740 0.000 0.000 0.264 477 N C 1.129 176.654 175.510 0.025 0.000 1.197 477 N CA 0.032 53.126 53.050 0.073 0.000 0.927 477 N CB 0.440 38.933 38.487 0.010 0.000 1.065 477 N HN 0.424 nan 8.380 nan 0.000 0.461 478 F N 3.683 123.576 119.950 -0.095 0.000 2.147 478 F HA -0.205 4.322 4.527 0.000 0.000 0.301 478 F C 1.691 177.382 175.800 -0.182 0.000 1.084 478 F CA 0.808 58.744 58.000 -0.108 0.000 1.268 478 F CB -0.295 38.653 39.000 -0.088 0.000 1.009 478 F HN 0.398 nan 8.300 nan 0.000 0.486 479 I N -0.022 119.839 120.570 -1.182 0.000 2.163 479 I HA -0.221 3.950 4.170 0.000 0.000 0.240 479 I C 2.323 177.998 176.117 -0.737 0.000 1.081 479 I CA 1.560 62.173 61.300 -1.144 0.000 1.353 479 I CB -0.582 36.420 38.000 -1.663 0.000 1.054 479 I HN 0.080 nan 8.210 nan 0.000 0.407 480 F N 0.216 119.939 119.950 -0.378 0.000 2.269 480 F HA -0.173 4.354 4.527 0.000 0.000 0.301 480 F C 2.325 178.023 175.800 -0.169 0.000 1.082 480 F CA 0.716 58.564 58.000 -0.254 0.000 1.360 480 F CB -0.321 38.606 39.000 -0.121 0.000 1.041 480 F HN 0.022 nan 8.300 nan 0.000 0.512 481 I N 0.471 121.049 120.570 0.013 0.000 2.163 481 I HA -0.285 3.885 4.170 0.000 0.000 0.240 481 I C 2.636 178.740 176.117 -0.021 0.000 1.081 481 I CA 1.432 62.743 61.300 0.019 0.000 1.353 481 I CB -0.631 37.386 38.000 0.028 0.000 1.054 481 I HN 0.238 nan 8.210 nan 0.000 0.407 482 Q N 0.861 120.623 119.800 -0.064 0.000 2.226 482 Q HA -0.163 4.178 4.340 0.000 0.000 0.204 482 Q C 2.127 178.079 176.000 -0.079 0.000 0.975 482 Q CA 1.340 57.101 55.803 -0.069 0.000 0.866 482 Q CB -0.385 28.305 28.738 -0.079 0.000 0.915 482 Q HN 0.519 nan 8.270 nan 0.000 0.440 483 L N 0.877 122.043 121.223 -0.095 0.000 2.217 483 L HA -0.079 4.261 4.340 0.000 0.000 0.211 483 L C 2.106 178.952 176.870 -0.039 0.000 1.107 483 L CA 1.165 55.961 54.840 -0.074 0.000 0.783 483 L CB -0.311 41.715 42.059 -0.055 0.000 0.919 483 L HN 0.301 nan 8.230 nan 0.000 0.442 484 T N -1.130 113.411 114.554 -0.021 0.000 2.812 484 T HA -0.145 4.205 4.350 0.000 0.000 0.264 484 T C 1.385 176.086 174.700 0.002 0.000 1.042 484 T CA 1.180 63.286 62.100 0.010 0.000 1.140 484 T CB -0.150 68.735 68.868 0.028 0.000 0.870 484 T HN 0.295 nan 8.240 nan 0.000 0.445 485 D N 0.962 121.353 120.400 -0.015 0.000 2.218 485 D HA -0.007 4.633 4.640 0.000 0.000 0.204 485 D C 1.987 178.260 176.300 -0.045 0.000 0.976 485 D CA 0.685 54.669 54.000 -0.027 0.000 0.853 485 D CB -0.202 40.583 40.800 -0.026 0.000 0.939 485 D HN 0.388 nan 8.370 nan 0.000 0.481 486 I N 0.324 120.864 120.570 -0.051 0.000 2.193 486 I HA -0.203 3.968 4.170 0.000 0.000 0.240 486 I C 2.412 178.489 176.117 -0.067 0.000 1.084 486 I CA 0.545 61.808 61.300 -0.062 0.000 1.365 486 I CB -0.127 37.832 38.000 -0.070 0.000 1.064 486 I HN -0.142 nan 8.210 nan 0.000 0.410 487 V N 1.196 121.075 119.914 -0.058 0.000 2.490 487 V HA -0.272 3.849 4.120 0.000 0.000 0.250 487 V C 2.140 178.157 176.094 -0.129 0.000 1.061 487 V CA 1.785 64.042 62.300 -0.070 0.000 1.064 487 V CB -0.942 30.871 31.823 -0.017 0.000 0.670 487 V HN 0.431 nan 8.190 nan 0.000 0.461 488 N N -0.131 118.497 118.700 -0.119 0.000 2.069 488 N HA -0.155 4.585 4.740 0.000 0.000 0.191 488 N C 2.189 177.622 175.510 -0.128 0.000 1.031 488 N CA 1.912 54.870 53.050 -0.154 0.000 0.852 488 N CB -0.410 38.025 38.487 -0.087 0.000 1.018 488 N HN 0.407 nan 8.380 nan 0.000 0.423 489 S N -0.692 114.953 115.700 -0.091 0.000 2.348 489 S HA -0.032 4.438 4.470 0.000 0.000 0.219 489 S C 1.626 176.178 174.600 -0.079 0.000 1.033 489 S CA 1.340 59.494 58.200 -0.077 0.000 0.974 489 S CB -0.600 62.563 63.200 -0.061 0.000 0.868 489 S HN 0.372 nan 8.310 nan 0.000 0.459 490 T N 2.292 116.797 114.554 -0.080 0.000 2.969 490 T HA -0.129 4.221 4.350 0.000 0.000 0.271 490 T C 0.568 175.221 174.700 -0.080 0.000 1.127 490 T CA 1.468 63.523 62.100 -0.076 0.000 1.102 490 T CB -0.414 68.409 68.868 -0.075 0.000 0.855 490 T HN 0.812 nan 8.240 nan 0.000 0.536 491 E N -0.826 119.314 120.200 -0.100 0.000 3.957 491 E HA 0.265 4.615 4.350 0.000 0.000 0.172 491 E C -0.233 176.291 176.600 -0.125 0.000 1.032 491 E CA -0.395 55.943 56.400 -0.104 0.000 1.491 491 E CB -0.162 29.473 29.700 -0.108 0.000 1.151 491 E HN -0.034 nan 8.360 nan 0.000 0.410 492 S N 1.333 116.968 115.700 -0.108 0.000 3.232 492 S HA -0.242 4.228 4.470 0.000 0.000 0.301 492 S C -0.129 174.391 174.600 -0.133 0.000 0.795 492 S CA 1.168 59.306 58.200 -0.104 0.000 1.314 492 S CB -0.931 62.226 63.200 -0.071 0.000 0.834 492 S HN 0.381 nan 8.310 nan 0.000 0.436 493 K N 0.640 120.914 120.400 -0.210 0.000 2.280 493 K HA 0.453 4.773 4.320 0.000 0.000 0.234 493 K C 0.326 176.788 176.600 -0.230 0.000 1.028 493 K CA -0.927 55.189 56.287 -0.284 0.000 0.882 493 K CB 0.893 33.042 32.500 -0.585 0.000 1.194 493 K HN -0.014 nan 8.250 nan 0.000 0.458 494 K N 1.688 121.994 120.400 -0.156 0.000 3.167 494 K HA 0.201 4.522 4.320 0.000 0.000 0.208 494 K C -0.833 175.832 176.600 0.108 0.000 1.159 494 K CA -0.181 56.087 56.287 -0.031 0.000 1.018 494 K CB 0.350 32.852 32.500 0.003 0.000 0.927 494 K HN 0.515 nan 8.250 nan 0.000 0.476 495 Y N 0.562 120.853 120.300 -0.014 0.000 2.550 495 Y HA -0.056 4.494 4.550 0.000 0.000 0.343 495 Y C 1.535 177.429 175.900 -0.009 0.000 1.245 495 Y CA -0.483 57.609 58.100 -0.013 0.000 1.462 495 Y CB 0.517 38.960 38.460 -0.028 0.000 1.340 495 Y HN 0.257 nan 8.280 nan 0.000 0.604 496 N N 0.388 119.179 118.700 0.151 0.000 2.387 496 N HA -0.029 4.712 4.740 0.000 0.000 0.176 496 N C -0.043 175.508 175.510 0.068 0.000 1.022 496 N CA 0.583 53.683 53.050 0.084 0.000 0.883 496 N CB 0.653 39.175 38.487 0.058 0.000 1.019 496 N HN 0.390 nan 8.380 nan 0.000 0.435 497 S N -0.771 114.957 115.700 0.046 0.000 2.547 497 S HA 0.364 4.834 4.470 0.000 0.000 0.270 497 S C 0.317 174.864 174.600 -0.088 0.000 1.150 497 S CA -0.631 57.578 58.200 0.016 0.000 0.850 497 S CB 0.526 63.764 63.200 0.064 0.000 1.118 497 S HN 0.014 nan 8.310 nan 0.000 0.461 498 L N 2.461 123.566 121.223 -0.197 0.000 2.456 498 L HA 0.083 4.423 4.340 0.000 0.000 0.224 498 L C 0.967 177.598 176.870 -0.399 0.000 1.148 498 L CA 0.980 55.617 54.840 -0.338 0.000 0.825 498 L CB -0.483 41.332 42.059 -0.407 0.000 0.937 498 L HN 0.624 nan 8.230 nan 0.000 0.450 499 F N -0.019 119.840 119.950 -0.152 0.000 2.797 499 F HA 0.014 4.541 4.527 0.000 0.000 0.302 499 F C 2.325 178.052 175.800 -0.121 0.000 1.130 499 F CA -0.022 57.889 58.000 -0.149 0.000 1.387 499 F CB -0.513 38.384 39.000 -0.173 0.000 1.107 499 F HN 0.070 nan 8.300 nan 0.000 0.577 500 Q N 0.320 120.127 119.800 0.010 0.000 2.118 500 Q HA -0.277 4.063 4.340 0.000 0.000 0.211 500 Q C 1.918 177.924 176.000 0.011 0.000 0.998 500 Q CA 1.895 57.691 55.803 -0.011 0.000 0.872 500 Q CB -0.305 28.376 28.738 -0.095 0.000 0.925 500 Q HN 0.393 nan 8.270 nan 0.000 0.414 501 N N -0.041 118.645 118.700 -0.024 0.000 2.006 501 N HA -0.162 4.578 4.740 0.000 0.000 0.196 501 N C 2.012 177.575 175.510 0.089 0.000 1.057 501 N CA 1.976 55.035 53.050 0.015 0.000 0.853 501 N CB -0.836 37.645 38.487 -0.011 0.000 1.051 501 N HN 0.251 nan 8.380 nan 0.000 0.423 502 V N 0.181 120.167 119.914 0.120 0.000 2.453 502 V HA -0.177 3.944 4.120 0.000 0.000 0.252 502 V C 2.008 178.212 176.094 0.182 0.000 1.068 502 V CA 2.047 64.454 62.300 0.178 0.000 1.070 502 V CB -0.861 31.055 31.823 0.154 0.000 0.664 502 V HN 0.345 nan 8.190 nan 0.000 0.461 503 E N 0.473 120.740 120.200 0.112 0.000 2.358 503 E HA -0.162 4.188 4.350 0.000 0.000 0.195 503 E C 1.830 178.575 176.600 0.241 0.000 1.010 503 E CA 0.921 57.399 56.400 0.130 0.000 0.856 503 E CB 0.017 29.751 29.700 0.058 0.000 0.795 503 E HN 0.698 nan 8.360 nan 0.000 0.504 504 N N 0.280 119.090 118.700 0.182 0.000 2.439 504 N HA -0.047 4.693 4.740 0.000 0.000 0.176 504 N C 0.909 176.514 175.510 0.159 0.000 1.029 504 N CA 0.793 53.934 53.050 0.150 0.000 0.886 504 N CB 0.186 38.728 38.487 0.091 0.000 1.057 504 N HN 0.064 nan 8.380 nan 0.000 0.437 505 D N -0.546 119.966 120.400 0.186 0.000 2.158 505 D HA -0.162 4.478 4.640 0.000 0.000 0.197 505 D C 1.294 177.688 176.300 0.158 0.000 0.995 505 D CA 1.181 55.275 54.000 0.157 0.000 0.846 505 D CB -0.124 40.788 40.800 0.188 0.000 0.941 505 D HN 0.304 nan 8.370 nan 0.000 0.456 506 Y N 1.309 121.663 120.300 0.089 0.000 2.092 506 Y HA -0.074 4.476 4.550 0.000 0.000 0.282 506 Y C 2.318 178.197 175.900 -0.035 0.000 1.126 506 Y CA 1.061 59.211 58.100 0.083 0.000 1.111 506 Y CB -0.531 38.073 38.460 0.240 0.000 0.987 506 Y HN 0.016 nan 8.280 nan 0.000 0.489 507 E N 0.035 120.307 120.200 0.119 0.000 2.187 507 E HA -0.270 4.080 4.350 0.000 0.000 0.199 507 E C 2.031 178.604 176.600 -0.046 0.000 1.004 507 E CA 1.482 57.842 56.400 -0.068 0.000 0.813 507 E CB -0.165 29.550 29.700 0.026 0.000 0.736 507 E HN 0.475 nan 8.360 nan 0.000 0.468 508 K N 0.634 121.034 120.400 -0.000 0.000 2.005 508 K HA 0.041 4.361 4.320 0.000 0.000 0.206 508 K C 1.289 177.861 176.600 -0.045 0.000 1.044 508 K CA 0.469 56.746 56.287 -0.016 0.000 0.942 508 K CB -0.102 32.400 32.500 0.003 0.000 0.727 508 K HN 0.017 nan 8.250 nan 0.000 0.439 512 T N 0.981 115.500 114.554 -0.059 0.000 3.212 512 T HA 0.301 4.651 4.350 0.000 0.000 0.157 512 T C -0.488 174.165 174.700 -0.078 0.000 0.908 512 T CA -0.013 62.053 62.100 -0.058 0.000 0.954 512 T CB -0.553 68.291 68.868 -0.040 0.000 1.709 512 T HN 0.187 nan 8.240 nan 0.000 0.335 516 N N 0.818 119.403 118.700 -0.192 0.000 2.216 516 N HA -0.032 4.708 4.740 0.000 0.000 0.183 516 N C 1.550 176.733 175.510 -0.544 0.000 1.017 516 N CA 1.543 54.367 53.050 -0.377 0.000 0.861 516 N CB -0.117 38.139 38.487 -0.385 0.000 0.986 516 N HN 0.175 nan 8.380 nan 0.000 0.428 517 S N 0.751 116.262 115.700 -0.315 0.000 2.382 517 S HA 0.067 4.537 4.470 0.000 0.000 0.228 517 S C 1.947 176.479 174.600 -0.114 0.000 1.027 517 S CA 0.506 58.586 58.200 -0.201 0.000 0.991 517 S CB -0.129 63.004 63.200 -0.113 0.000 0.823 517 S HN 0.201 nan 8.310 nan 0.000 0.469 518 I N 0.688 121.199 120.570 -0.099 0.000 2.315 518 I HA -0.108 4.062 4.170 0.000 0.000 0.248 518 I C 2.145 178.248 176.117 -0.024 0.000 1.117 518 I CA 0.855 62.130 61.300 -0.042 0.000 1.404 518 I CB -0.300 37.679 38.000 -0.035 0.000 1.071 518 I HN 0.193 nan 8.210 nan 0.000 0.419 519 V N 0.316 120.197 119.914 -0.056 0.000 2.453 519 V HA -0.264 3.857 4.120 0.000 0.000 0.247 519 V C 2.237 178.401 176.094 0.118 0.000 1.048 519 V CA 1.828 64.135 62.300 0.012 0.000 1.049 519 V CB -0.894 30.933 31.823 0.007 0.000 0.672 519 V HN 0.461 nan 8.190 nan 0.000 0.457 520 H N -0.330 118.736 119.070 -0.006 0.000 2.333 520 H HA -0.054 4.502 4.556 0.000 0.000 0.302 520 H C 2.605 177.925 175.328 -0.013 0.000 1.075 520 H CA 1.156 57.199 56.048 -0.008 0.000 1.348 520 H CB 0.084 29.839 29.762 -0.011 0.000 1.393 520 H HN 0.251 nan 8.280 nan 0.000 0.509 521 R N 0.444 121.010 120.500 0.110 0.000 2.120 521 R HA -0.090 4.250 4.340 0.000 0.000 0.234 521 R C 2.166 178.484 176.300 0.030 0.000 1.123 521 R CA 1.043 57.172 56.100 0.048 0.000 0.975 521 R CB -0.006 30.307 30.300 0.022 0.000 0.866 521 R HN 0.368 nan 8.270 nan 0.000 0.446 522 I N 0.008 120.600 120.570 0.036 0.000 2.406 522 I HA -0.224 3.946 4.170 0.000 0.000 0.249 522 I C 2.621 178.746 176.117 0.013 0.000 1.122 522 I CA 0.893 62.207 61.300 0.023 0.000 1.431 522 I CB -0.234 37.782 38.000 0.025 0.000 1.087 522 I HN 0.249 nan 8.210 nan 0.000 0.424 523 Q N 1.519 121.336 119.800 0.028 0.000 2.096 523 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 523 Q C 2.099 178.090 176.000 -0.015 0.000 0.982 523 Q CA 1.740 57.549 55.803 0.010 0.000 0.850 523 Q CB 0.130 28.887 28.738 0.032 0.000 0.901 523 Q HN 0.430 nan 8.270 nan 0.000 0.422 524 K N 0.058 120.455 120.400 -0.005 0.000 2.026 524 K HA -0.129 4.191 4.320 0.000 0.000 0.208 524 K C 2.134 178.716 176.600 -0.029 0.000 1.048 524 K CA 1.324 57.599 56.287 -0.020 0.000 0.929 524 K CB -0.155 32.338 32.500 -0.012 0.000 0.713 524 K HN 0.243 nan 8.250 nan 0.000 0.439 525 L N 1.054 122.262 121.223 -0.024 0.000 2.131 525 L HA -0.136 4.204 4.340 0.000 0.000 0.210 525 L C 2.371 179.219 176.870 -0.037 0.000 1.092 525 L CA 0.561 55.383 54.840 -0.031 0.000 0.759 525 L CB -0.288 41.754 42.059 -0.028 0.000 0.903 525 L HN 0.277 nan 8.230 nan 0.000 0.435 526 L N -0.367 120.831 121.223 -0.042 0.000 2.240 526 L HA -0.089 4.251 4.340 0.000 0.000 0.211 526 L C 2.493 179.301 176.870 -0.102 0.000 1.106 526 L CA 1.260 56.063 54.840 -0.062 0.000 0.793 526 L CB -0.389 41.635 42.059 -0.058 0.000 0.927 526 L HN 0.228 nan 8.230 nan 0.000 0.446 527 K N 0.272 120.611 120.400 -0.101 0.000 2.025 527 K HA -0.128 4.192 4.320 0.000 0.000 0.207 527 K C 1.821 178.371 176.600 -0.082 0.000 1.049 527 K CA 0.890 57.099 56.287 -0.129 0.000 0.933 527 K CB -0.118 32.328 32.500 -0.090 0.000 0.714 527 K HN 0.324 nan 8.250 nan 0.000 0.438 528 E N 0.175 120.346 120.200 -0.049 0.000 2.209 528 E HA -0.137 4.213 4.350 0.000 0.000 0.196 528 E C 1.802 178.397 176.600 -0.008 0.000 0.993 528 E CA 1.667 58.053 56.400 -0.024 0.000 0.819 528 E CB -0.214 29.472 29.700 -0.023 0.000 0.745 528 E HN 0.511 nan 8.360 nan 0.000 0.477 529 T N -1.845 112.699 114.554 -0.017 0.000 3.067 529 T HA 0.070 4.420 4.350 0.000 0.000 0.257 529 T C 1.749 176.469 174.700 0.033 0.000 1.105 529 T CA 0.079 62.182 62.100 0.005 0.000 1.104 529 T CB -0.126 68.737 68.868 -0.007 0.000 0.925 529 T HN 0.032 nan 8.240 nan 0.000 0.498 530 L N 0.486 121.715 121.223 0.009 0.000 2.645 530 L HA 0.390 4.730 4.340 0.000 0.000 0.234 530 L C 2.612 179.608 176.870 0.209 0.000 1.165 530 L CA -0.162 54.724 54.840 0.077 0.000 0.944 530 L CB -0.246 41.736 42.059 -0.128 0.000 1.149 530 L HN 0.194 nan 8.230 nan 0.000 0.446 531 R N -0.025 120.572 120.500 0.162 0.000 2.161 531 R HA -0.056 4.284 4.340 0.000 0.000 0.213 531 R C 1.830 178.283 176.300 0.255 0.000 1.055 531 R CA 0.672 56.897 56.100 0.208 0.000 0.996 531 R CB 0.242 30.617 30.300 0.124 0.000 0.901 531 R HN 0.401 nan 8.270 nan 0.000 0.456 532 N N -0.099 118.722 118.700 0.202 0.000 2.135 532 N HA -0.183 4.557 4.740 0.000 0.000 0.186 532 N C 1.459 177.088 175.510 0.199 0.000 1.027 532 N CA 1.036 54.184 53.050 0.162 0.000 0.849 532 N CB -0.434 38.127 38.487 0.124 0.000 1.002 532 N HN 0.195 nan 8.380 nan 0.000 0.425 533 Y N 0.774 121.163 120.300 0.148 0.000 2.207 533 Y HA -0.211 4.339 4.550 0.000 0.000 0.287 533 Y C 2.185 178.231 175.900 0.243 0.000 1.156 533 Y CA 1.194 59.398 58.100 0.174 0.000 1.182 533 Y CB -0.506 38.080 38.460 0.209 0.000 0.979 533 Y HN -0.017 nan 8.280 nan 0.000 0.521 534 F N 1.025 121.114 119.950 0.232 0.000 2.171 534 F HA -0.128 4.399 4.527 0.000 0.000 0.300 534 F C 1.876 177.706 175.800 0.050 0.000 1.090 534 F CA 1.678 59.776 58.000 0.163 0.000 1.293 534 F CB -0.362 38.764 39.000 0.209 0.000 1.013 534 F HN -0.107 nan 8.300 nan 0.000 0.486 535 K N 0.595 120.957 120.400 -0.064 0.000 2.505 535 K HA 0.097 4.417 4.320 0.000 0.000 0.192 535 K C 0.476 176.935 176.600 -0.235 0.000 1.025 535 K CA -0.038 56.135 56.287 -0.191 0.000 1.086 535 K CB -0.175 32.301 32.500 -0.040 0.000 0.840 535 K HN 0.261 nan 8.250 nan 0.000 0.514 536 I N 1.726 122.122 120.570 -0.290 0.000 2.710 536 I HA -0.153 4.018 4.170 0.000 0.000 0.286 536 I C 1.359 177.219 176.117 -0.428 0.000 1.181 536 I CA 0.424 61.460 61.300 -0.440 0.000 1.430 536 I CB 1.031 38.571 38.000 -0.766 0.000 1.367 536 I HN 0.173 nan 8.210 nan 0.000 0.577 537 S N 1.081 116.544 115.700 -0.395 0.000 2.554 537 S HA -0.024 4.446 4.470 0.000 0.000 0.227 537 S C 1.332 175.760 174.600 -0.285 0.000 1.050 537 S CA -0.160 57.871 58.200 -0.281 0.000 0.927 537 S CB 0.154 63.238 63.200 -0.194 0.000 0.859 537 S HN 0.668 nan 8.310 nan 0.000 0.494 538 T N 1.488 115.816 114.554 -0.377 0.000 3.139 538 T HA -0.026 4.324 4.350 0.000 0.000 0.267 538 T C 0.646 175.209 174.700 -0.229 0.000 1.164 538 T CA 0.568 62.491 62.100 -0.294 0.000 1.075 538 T CB -0.830 67.848 68.868 -0.317 0.000 0.904 538 T HN 0.582 nan 8.240 nan 0.000 0.540 539 W N 1.864 123.017 121.300 -0.246 0.000 2.560 539 W HA -0.118 4.542 4.660 0.000 0.000 0.252 539 W C 2.235 178.576 176.519 -0.298 0.000 1.242 539 W CA 0.392 57.519 57.345 -0.363 0.000 1.242 539 W CB -0.066 28.899 29.460 -0.825 0.000 1.136 539 W HN 0.379 nan 8.180 nan 0.000 0.625 540 S N -4.163 111.543 115.700 0.010 0.000 2.679 540 S HA 0.083 4.553 4.470 0.000 0.000 0.258 540 S C 1.013 175.624 174.600 0.019 0.000 1.068 540 S CA 0.161 58.372 58.200 0.018 0.000 1.115 540 S CB 0.180 63.366 63.200 -0.024 0.000 1.078 540 S HN -0.051 nan 8.310 nan 0.000 0.603 541 T N 3.232 117.779 114.554 -0.012 0.000 3.044 541 T HA 0.363 4.714 4.350 0.000 0.000 0.250 541 T C 0.389 175.084 174.700 -0.008 0.000 1.081 541 T CA -0.035 62.055 62.100 -0.017 0.000 1.040 541 T CB -0.311 68.529 68.868 -0.047 0.000 0.962 541 T HN 0.497 nan 8.240 nan 0.000 0.506 542 L N 1.641 122.864 121.223 0.001 0.000 2.418 542 L HA 0.681 5.021 4.340 0.000 0.000 0.265 542 L C -0.092 176.804 176.870 0.043 0.000 1.143 542 L CA -0.634 54.212 54.840 0.009 0.000 0.809 542 L CB 0.349 42.410 42.059 0.003 0.000 1.124 542 L HN 0.188 nan 8.230 nan 0.000 0.456 553 S N 1.622 117.316 115.700 -0.010 0.000 2.410 553 S HA 0.601 5.071 4.470 0.000 0.000 0.304 553 S C 0.333 174.908 174.600 -0.043 0.000 1.095 553 S CA -0.117 58.075 58.200 -0.013 0.000 1.089 553 S CB 0.232 63.434 63.200 0.004 0.000 0.968 553 S HN 0.506 nan 8.310 nan 0.000 0.480 554 S N 4.017 119.654 115.700 -0.105 0.000 2.525 554 S HA 0.789 5.259 4.470 0.000 0.000 0.290 554 S C -0.301 174.185 174.600 -0.189 0.000 1.152 554 S CA -0.684 57.380 58.200 -0.225 0.000 1.072 554 S CB 1.362 64.284 63.200 -0.463 0.000 1.027 554 S HN 0.513 nan 8.310 nan 0.000 0.500 555 V N 2.819 122.689 119.914 -0.074 0.000 2.919 555 V HA 0.615 4.735 4.120 0.000 0.000 0.316 555 V C -2.131 174.077 176.094 0.188 0.000 1.077 555 V CA -2.246 60.114 62.300 0.101 0.000 0.977 555 V CB 1.607 33.472 31.823 0.071 0.000 1.039 555 V HN 0.875 nan 8.190 nan 0.000 0.441 556 P HA 0.134 nan 4.420 nan 0.000 0.272 556 P C -0.218 177.224 177.300 0.236 0.000 1.223 556 P CA -0.114 63.177 63.100 0.318 0.000 0.784 556 P CB 0.540 32.362 31.700 0.203 0.000 0.923 557 S N 1.354 117.234 115.700 0.299 0.000 2.642 557 S HA 0.031 4.501 4.470 0.000 0.000 0.308 557 S C 1.827 176.539 174.600 0.186 0.000 1.255 557 S CA 0.240 58.584 58.200 0.240 0.000 1.057 557 S CB 0.072 63.500 63.200 0.380 0.000 0.785 557 S HN 0.602 nan 8.310 nan 0.000 0.500 558 A N 3.801 126.683 122.820 0.103 0.000 1.903 558 A HA -0.202 4.119 4.320 0.000 0.000 0.219 558 A C 1.997 179.642 177.584 0.102 0.000 1.191 558 A CA 1.744 53.829 52.037 0.080 0.000 0.638 558 A CB -0.470 18.552 19.000 0.037 0.000 0.823 558 A HN 0.900 nan 8.150 nan 0.000 0.451 559 E N -0.260 120.017 120.200 0.129 0.000 2.526 559 E HA -0.025 4.326 4.350 0.000 0.000 0.198 559 E C 1.191 177.934 176.600 0.238 0.000 1.091 559 E CA 0.703 57.201 56.400 0.163 0.000 0.880 559 E CB -0.206 29.578 29.700 0.140 0.000 0.873 559 E HN 0.558 nan 8.360 nan 0.000 0.527 560 L N -0.259 121.091 121.223 0.211 0.000 2.701 560 L HA 0.117 4.458 4.340 0.000 0.000 0.238 560 L C 1.726 178.616 176.870 0.033 0.000 1.106 560 L CA 0.299 55.178 54.840 0.066 0.000 0.898 560 L CB 0.474 42.496 42.059 -0.060 0.000 1.188 560 L HN -0.151 nan 8.230 nan 0.000 0.508 561 V N 0.409 120.359 119.914 0.060 0.000 2.343 561 V HA -0.299 3.821 4.120 0.000 0.000 0.247 561 V C 2.411 178.517 176.094 0.021 0.000 1.051 561 V CA 2.250 64.573 62.300 0.038 0.000 1.036 561 V CB -1.014 30.836 31.823 0.045 0.000 0.654 561 V HN 0.666 nan 8.190 nan 0.000 0.451 562 N N 0.283 118.999 118.700 0.026 0.000 2.084 562 N HA -0.185 4.555 4.740 0.000 0.000 0.190 562 N C 1.959 177.472 175.510 0.004 0.000 1.030 562 N CA 1.839 54.898 53.050 0.016 0.000 0.849 562 N CB -0.010 38.490 38.487 0.022 0.000 1.012 562 N HN 0.493 nan 8.380 nan 0.000 0.423 563 S N 1.218 116.918 115.700 0.000 0.000 2.374 563 S HA -0.124 4.347 4.470 0.000 0.000 0.227 563 S C 2.074 176.658 174.600 -0.025 0.000 1.037 563 S CA 1.023 59.211 58.200 -0.019 0.000 1.024 563 S CB -0.305 62.873 63.200 -0.037 0.000 0.861 563 S HN 0.353 nan 8.310 nan 0.000 0.456 564 I N 1.946 122.501 120.570 -0.024 0.000 2.226 564 I HA -0.200 3.970 4.170 0.000 0.000 0.245 564 I C 2.030 178.134 176.117 -0.022 0.000 1.100 564 I CA 0.983 62.264 61.300 -0.032 0.000 1.374 564 I CB -0.497 37.486 38.000 -0.028 0.000 1.057 564 I HN 0.240 nan 8.210 nan 0.000 0.413 565 N N 0.512 119.207 118.700 -0.010 0.000 2.142 565 N HA -0.117 4.623 4.740 0.000 0.000 0.186 565 N C 1.871 177.380 175.510 -0.002 0.000 1.023 565 N CA 1.092 54.140 53.050 -0.004 0.000 0.852 565 N CB -0.558 37.931 38.487 0.003 0.000 0.998 565 N HN 0.140 nan 8.380 nan 0.000 0.424 566 V N 1.081 120.993 119.914 -0.004 0.000 2.358 566 V HA -0.136 3.984 4.120 0.000 0.000 0.246 566 V C 2.291 178.385 176.094 0.000 0.000 1.047 566 V CA 0.968 63.268 62.300 -0.001 0.000 1.035 566 V CB -0.547 31.271 31.823 -0.008 0.000 0.658 566 V HN 0.194 nan 8.190 nan 0.000 0.452 567 L N 0.550 121.766 121.223 -0.013 0.000 2.046 567 L HA -0.131 4.210 4.340 0.000 0.000 0.208 567 L C 2.571 179.432 176.870 -0.015 0.000 1.077 567 L CA 2.097 56.926 54.840 -0.018 0.000 0.747 567 L CB -0.654 41.383 42.059 -0.037 0.000 0.896 567 L HN 0.216 nan 8.230 nan 0.000 0.432 568 R N -0.926 119.562 120.500 -0.020 0.000 2.189 568 R HA -0.127 4.213 4.340 0.000 0.000 0.223 568 R C 2.449 178.747 176.300 -0.004 0.000 1.092 568 R CA 0.900 56.988 56.100 -0.020 0.000 0.989 568 R CB -0.233 30.052 30.300 -0.024 0.000 0.876 568 R HN 0.314 nan 8.270 nan 0.000 0.457 569 R N 0.422 120.929 120.500 0.011 0.000 2.127 569 R HA 0.009 4.349 4.340 0.000 0.000 0.217 569 R C 1.992 178.326 176.300 0.055 0.000 1.074 569 R CA 0.759 56.879 56.100 0.033 0.000 0.991 569 R CB -0.019 30.308 30.300 0.045 0.000 0.895 569 R HN 0.297 nan 8.270 nan 0.000 0.450 570 L N 0.222 121.479 121.223 0.057 0.000 2.095 570 L HA -0.121 4.219 4.340 0.000 0.000 0.204 570 L C 2.189 179.079 176.870 0.033 0.000 1.080 570 L CA 0.594 55.484 54.840 0.083 0.000 0.759 570 L CB -0.274 41.829 42.059 0.074 0.000 0.914 570 L HN 0.098 nan 8.230 nan 0.000 0.439 571 I N 0.309 120.883 120.570 0.007 0.000 2.493 571 I HA -0.222 3.948 4.170 0.000 0.000 0.254 571 I C 2.232 178.336 176.117 -0.022 0.000 1.160 571 I CA 1.057 62.350 61.300 -0.012 0.000 1.445 571 I CB -0.710 37.275 38.000 -0.024 0.000 1.086 571 I HN 0.226 nan 8.210 nan 0.000 0.433 572 N N 0.338 119.027 118.700 -0.018 0.000 2.166 572 N HA -0.172 4.568 4.740 0.000 0.000 0.186 572 N C 1.929 177.409 175.510 -0.049 0.000 1.019 572 N CA 0.864 53.897 53.050 -0.028 0.000 0.856 572 N CB -0.132 38.345 38.487 -0.018 0.000 0.993 572 N HN 0.162 nan 8.380 nan 0.000 0.426 573 K N 1.025 121.388 120.400 -0.061 0.000 2.057 573 K HA -0.081 4.240 4.320 0.000 0.000 0.207 573 K C 1.948 178.478 176.600 -0.118 0.000 1.049 573 K CA 0.542 56.742 56.287 -0.145 0.000 0.931 573 K CB -0.630 31.741 32.500 -0.214 0.000 0.714 573 K HN 0.122 nan 8.250 nan 0.000 0.440 574 L N 1.933 123.115 121.223 -0.067 0.000 1.994 574 L HA -0.173 4.168 4.340 0.000 0.000 0.208 574 L C 1.614 178.458 176.870 -0.043 0.000 1.071 574 L CA 1.962 56.772 54.840 -0.049 0.000 0.745 574 L CB -0.724 41.318 42.059 -0.028 0.000 0.892 574 L HN 0.128 nan 8.230 nan 0.000 0.431 575 D N -0.446 119.931 120.400 -0.038 0.000 2.228 575 D HA -0.093 4.548 4.640 0.000 0.000 0.203 575 D C 1.243 177.524 176.300 -0.033 0.000 0.988 575 D CA 1.107 55.088 54.000 -0.032 0.000 0.864 575 D CB -0.182 40.599 40.800 -0.031 0.000 0.928 575 D HN 0.544 nan 8.370 nan 0.000 0.469 579 I N 1.528 122.128 120.570 0.050 0.000 2.607 579 I HA 0.485 4.655 4.170 0.000 0.000 0.305 579 I C -1.723 174.420 176.117 0.043 0.000 0.995 579 I CA -2.073 59.254 61.300 0.045 0.000 1.148 579 I CB 1.902 39.911 38.000 0.016 0.000 1.323 579 I HN 0.054 nan 8.210 nan 0.000 0.461 580 P HA 0.035 nan 4.420 nan 0.000 0.276 580 P C 0.523 177.834 177.300 0.019 0.000 1.230 580 P CA -0.370 62.753 63.100 0.037 0.000 0.776 580 P CB 1.340 33.056 31.700 0.026 0.000 0.888 581 L N 4.171 125.406 121.223 0.021 0.000 2.089 581 L HA -0.245 4.095 4.340 0.000 0.000 0.213 581 L C 2.374 179.247 176.870 0.005 0.000 1.079 581 L CA 2.489 57.336 54.840 0.011 0.000 0.758 581 L CB -1.368 40.698 42.059 0.012 0.000 0.891 581 L HN 0.526 nan 8.230 nan 0.000 0.433 582 A N -0.233 122.592 122.820 0.007 0.000 1.892 582 A HA -0.241 4.080 4.320 0.000 0.000 0.218 582 A C 2.286 179.866 177.584 -0.006 0.000 1.188 582 A CA 2.360 54.399 52.037 0.002 0.000 0.631 582 A CB -0.873 18.129 19.000 0.004 0.000 0.822 582 A HN 0.518 nan 8.150 nan 0.000 0.447 583 I N -0.950 119.612 120.570 -0.014 0.000 2.252 583 I HA -0.191 3.979 4.170 0.000 0.000 0.245 583 I C 2.839 178.946 176.117 -0.017 0.000 1.102 583 I CA 1.419 62.706 61.300 -0.022 0.000 1.385 583 I CB -0.396 37.585 38.000 -0.032 0.000 1.064 583 I HN 0.447 nan 8.210 nan 0.000 0.414 584 S N 1.286 116.980 115.700 -0.012 0.000 2.365 584 S HA -0.186 4.284 4.470 0.000 0.000 0.225 584 S C 2.065 176.658 174.600 -0.012 0.000 1.039 584 S CA 1.530 59.723 58.200 -0.012 0.000 1.033 584 S CB -0.304 62.891 63.200 -0.009 0.000 0.887 584 S HN 0.312 nan 8.310 nan 0.000 0.447 585 L N 1.021 122.239 121.223 -0.009 0.000 2.027 585 L HA -0.065 4.275 4.340 0.000 0.000 0.206 585 L C 2.734 179.602 176.870 -0.004 0.000 1.074 585 L CA 1.706 56.542 54.840 -0.007 0.000 0.745 585 L CB -0.587 41.470 42.059 -0.003 0.000 0.898 585 L HN 0.330 nan 8.230 nan 0.000 0.433 586 K N 0.081 120.479 120.400 -0.003 0.000 2.160 586 K HA -0.191 4.129 4.320 0.000 0.000 0.206 586 K C 1.914 178.512 176.600 -0.002 0.000 1.047 586 K CA 1.394 57.681 56.287 -0.001 0.000 0.930 586 K CB 0.033 32.529 32.500 -0.007 0.000 0.720 586 K HN 0.110 nan 8.250 nan 0.000 0.450 587 V N 1.114 121.023 119.914 -0.009 0.000 2.346 587 V HA -0.186 3.934 4.120 0.000 0.000 0.244 587 V C 1.959 178.052 176.094 -0.002 0.000 1.037 587 V CA 1.675 63.970 62.300 -0.009 0.000 1.029 587 V CB -0.303 31.511 31.823 -0.016 0.000 0.663 587 V HN 0.312 nan 8.190 nan 0.000 0.454 588 K N 0.184 120.580 120.400 -0.007 0.000 2.281 588 K HA -0.197 4.124 4.320 0.000 0.000 0.203 588 K C 1.892 178.491 176.600 -0.002 0.000 1.046 588 K CA 1.645 57.926 56.287 -0.010 0.000 0.938 588 K CB -0.220 32.268 32.500 -0.020 0.000 0.737 588 K HN 0.386 nan 8.250 nan 0.000 0.458 589 N N 0.658 119.362 118.700 0.007 0.000 2.251 589 N HA -0.086 4.654 4.740 0.000 0.000 0.181 589 N C 1.402 176.932 175.510 0.034 0.000 1.019 589 N CA 0.718 53.780 53.050 0.021 0.000 0.862 589 N CB 0.261 38.763 38.487 0.025 0.000 0.992 589 N HN 0.111 nan 8.380 nan 0.000 0.429 590 E N 0.559 120.778 120.200 0.032 0.000 2.085 590 E HA -0.185 4.165 4.350 0.000 0.000 0.194 590 E C 1.967 178.599 176.600 0.053 0.000 0.994 590 E CA 0.798 57.225 56.400 0.045 0.000 0.801 590 E CB -0.322 29.401 29.700 0.039 0.000 0.743 590 E HN 0.450 nan 8.360 nan 0.000 0.453 591 L N 0.544 121.790 121.223 0.038 0.000 2.056 591 L HA -0.157 4.183 4.340 0.000 0.000 0.207 591 L C 2.687 179.584 176.870 0.045 0.000 1.078 591 L CA 0.658 55.520 54.840 0.037 0.000 0.749 591 L CB -0.378 41.690 42.059 0.014 0.000 0.901 591 L HN 0.108 nan 8.230 nan 0.000 0.433 592 L N -0.082 121.162 121.223 0.035 0.000 2.079 592 L HA -0.256 4.084 4.340 0.000 0.000 0.210 592 L C 2.383 179.315 176.870 0.103 0.000 1.081 592 L CA 1.131 56.002 54.840 0.051 0.000 0.752 592 L CB -0.490 41.590 42.059 0.036 0.000 0.896 592 L HN 0.434 nan 8.230 nan 0.000 0.433 593 N N -0.542 118.213 118.700 0.092 0.000 2.106 593 N HA -0.133 4.608 4.740 0.000 0.000 0.188 593 N C 1.854 177.433 175.510 0.115 0.000 1.029 593 N CA 1.291 54.401 53.050 0.101 0.000 0.848 593 N CB -0.626 37.916 38.487 0.092 0.000 1.007 593 N HN 0.113 nan 8.380 nan 0.000 0.423 594 V N 2.105 122.084 119.914 0.108 0.000 2.324 594 V HA -0.200 3.921 4.120 0.000 0.000 0.250 594 V C 2.307 178.508 176.094 0.178 0.000 1.060 594 V CA 1.303 63.677 62.300 0.122 0.000 1.042 594 V CB -0.464 31.415 31.823 0.093 0.000 0.650 594 V HN 0.239 nan 8.190 nan 0.000 0.450 595 I N -0.653 120.022 120.570 0.174 0.000 2.202 595 I HA -0.179 3.991 4.170 0.000 0.000 0.242 595 I C 2.406 178.722 176.117 0.331 0.000 1.091 595 I CA 1.136 62.590 61.300 0.257 0.000 1.368 595 I CB -0.338 37.753 38.000 0.151 0.000 1.058 595 I HN 0.144 nan 8.210 nan 0.000 0.410 596 V N 1.462 121.510 119.914 0.224 0.000 2.287 596 V HA -0.314 3.806 4.120 0.000 0.000 0.248 596 V C 2.175 178.341 176.094 0.120 0.000 1.053 596 V CA 2.031 64.374 62.300 0.072 0.000 1.027 596 V CB -0.902 30.930 31.823 0.015 0.000 0.646 596 V HN 0.470 nan 8.190 nan 0.000 0.447 597 N N -0.831 117.957 118.700 0.147 0.000 2.149 597 N HA -0.219 4.521 4.740 0.000 0.000 0.188 597 N C 1.742 177.368 175.510 0.194 0.000 1.019 597 N CA 1.911 55.044 53.050 0.137 0.000 0.857 597 N CB -0.460 38.103 38.487 0.126 0.000 0.997 597 N HN 0.667 nan 8.380 nan 0.000 0.426 598 Y N 0.581 120.988 120.300 0.179 0.000 2.133 598 Y HA -0.120 4.431 4.550 0.000 0.000 0.287 598 Y C 2.027 178.091 175.900 0.274 0.000 1.134 598 Y CA 1.337 59.563 58.100 0.209 0.000 1.133 598 Y CB -0.629 37.977 38.460 0.242 0.000 0.987 598 Y HN -0.148 nan 8.280 nan 0.000 0.502 599 F N 0.064 120.142 119.950 0.214 0.000 2.250 599 F HA -0.219 4.308 4.527 0.000 0.000 0.301 599 F C 2.397 178.283 175.800 0.143 0.000 1.077 599 F CA 1.965 60.068 58.000 0.171 0.000 1.348 599 F CB -0.830 38.170 39.000 -0.000 0.000 1.040 599 F HN 0.052 nan 8.300 nan 0.000 0.509 600 T N -1.298 113.373 114.554 0.194 0.000 2.852 600 T HA -0.060 4.290 4.350 0.000 0.000 0.256 600 T C 1.833 176.533 174.700 -0.000 0.000 1.038 600 T CA 1.070 63.213 62.100 0.072 0.000 1.141 600 T CB 0.017 68.896 68.868 0.017 0.000 0.869 600 T HN 0.070 nan 8.240 nan 0.000 0.439 601 E N 1.468 121.660 120.200 -0.014 0.000 2.122 601 E HA 0.106 4.456 4.350 0.000 0.000 0.190 601 E C 2.220 178.780 176.600 -0.066 0.000 0.977 601 E CA 0.671 57.051 56.400 -0.034 0.000 0.820 601 E CB -0.266 29.426 29.700 -0.014 0.000 0.770 601 E HN 0.306 nan 8.360 nan 0.000 0.462 602 S N -0.066 115.511 115.700 -0.205 0.000 2.548 602 S HA 0.218 4.688 4.470 0.000 0.000 0.215 602 S C 1.738 176.325 174.600 -0.022 0.000 0.976 602 S CA 0.193 58.276 58.200 -0.195 0.000 0.908 602 S CB 0.408 63.144 63.200 -0.774 0.000 0.781 602 S HN 0.131 nan 8.310 nan 0.000 0.519 603 I N -1.027 119.507 120.570 -0.060 0.000 3.664 603 I HA 0.147 4.317 4.170 0.000 0.000 0.251 603 I C 1.550 177.676 176.117 0.014 0.000 1.134 603 I CA 0.029 61.339 61.300 0.015 0.000 1.520 603 I CB -0.224 37.821 38.000 0.075 0.000 1.638 603 I HN 0.084 nan 8.210 nan 0.000 0.431 604 L N 1.693 122.862 121.223 -0.089 0.000 2.042 604 L HA -0.135 4.205 4.340 0.000 0.000 0.210 604 L C 1.970 178.784 176.870 -0.092 0.000 1.076 604 L CA 2.076 56.726 54.840 -0.316 0.000 0.749 604 L CB -0.520 41.214 42.059 -0.542 0.000 0.893 604 L HN 0.101 nan 8.230 nan 0.000 0.432 605 K N -1.234 119.132 120.400 -0.056 0.000 2.444 605 K HA 0.157 4.477 4.320 0.000 0.000 0.193 605 K C 0.899 177.502 176.600 0.005 0.000 1.024 605 K CA 0.159 56.431 56.287 -0.024 0.000 1.077 605 K CB 0.230 32.717 32.500 -0.022 0.000 0.833 605 K HN 0.315 nan 8.250 nan 0.000 0.517 606 L N 0.675 121.903 121.223 0.009 0.000 3.069 606 L HA 0.226 4.566 4.340 0.000 0.000 0.271 606 L C -0.414 176.424 176.870 -0.053 0.000 1.201 606 L CA -0.124 54.714 54.840 -0.003 0.000 1.015 606 L CB 0.090 42.166 42.059 0.028 0.000 1.371 606 L HN 0.091 nan 8.230 nan 0.000 0.574 607 N N 0.334 119.001 118.700 -0.055 0.000 2.610 607 N HA 0.378 5.118 4.740 0.000 0.000 0.264 607 N C -1.105 174.313 175.510 -0.154 0.000 1.348 607 N CA -0.721 52.213 53.050 -0.194 0.000 0.819 607 N CB 2.308 40.498 38.487 -0.493 0.000 1.521 607 N HN -0.076 nan 8.380 nan 0.000 0.497 608 K N 0.949 121.212 120.400 -0.229 0.000 2.265 608 K HA 0.473 4.794 4.320 0.000 0.000 0.267 608 K C -0.976 175.504 176.600 -0.199 0.000 0.994 608 K CA -0.353 55.885 56.287 -0.081 0.000 0.860 608 K CB 1.074 33.553 32.500 -0.036 0.000 1.099 608 K HN 0.291 nan 8.250 nan 0.000 0.448 609 F N 1.399 121.327 119.950 -0.037 0.000 2.497 609 F HA 0.320 4.848 4.527 0.000 0.000 0.331 609 F C 0.678 176.521 175.800 0.072 0.000 1.060 609 F CA -0.862 57.138 58.000 0.001 0.000 0.989 609 F CB 1.128 40.050 39.000 -0.129 0.000 1.245 609 F HN 0.557 nan 8.300 nan 0.000 0.486 610 N N -0.539 118.335 118.700 0.290 0.000 2.328 610 N HA 0.307 5.047 4.740 0.000 0.000 0.299 610 N C 0.335 175.950 175.510 0.174 0.000 1.179 610 N CA -0.722 52.476 53.050 0.247 0.000 0.793 610 N CB 1.065 39.658 38.487 0.177 0.000 1.366 610 N HN 0.477 nan 8.380 nan 0.000 0.493 611 Q N 0.868 120.709 119.800 0.069 0.000 2.066 611 Q HA -0.337 4.003 4.340 0.000 0.000 0.216 611 Q C 0.806 176.744 176.000 -0.103 0.000 1.035 611 Q CA 2.624 58.236 55.803 -0.317 0.000 0.897 611 Q CB -0.653 27.901 28.738 -0.306 0.000 1.010 611 Q HN 0.756 nan 8.270 nan 0.000 0.416 612 N N -1.015 117.695 118.700 0.017 0.000 2.080 612 N HA -0.098 4.642 4.740 0.000 0.000 0.189 612 N C 1.747 177.362 175.510 0.175 0.000 1.036 612 N CA 1.446 54.540 53.050 0.074 0.000 0.846 612 N CB -0.939 37.596 38.487 0.080 0.000 1.015 612 N HN 0.496 nan 8.380 nan 0.000 0.423 613 G N 1.199 110.155 108.800 0.260 0.000 2.479 613 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 613 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 613 G C 1.463 176.665 174.900 0.504 0.000 1.115 613 G CA 0.286 45.682 45.100 0.495 0.000 0.757 613 G HN 0.190 nan 8.290 nan 0.000 0.560 614 L N 0.286 121.656 121.223 0.245 0.000 2.492 614 L HA 0.245 4.585 4.340 0.000 0.000 0.223 614 L C 1.969 178.887 176.870 0.079 0.000 1.132 614 L CA 0.804 55.647 54.840 0.006 0.000 0.850 614 L CB -0.186 41.817 42.059 -0.093 0.000 0.966 614 L HN 0.087 nan 8.230 nan 0.000 0.454 615 N N -1.259 117.533 118.700 0.153 0.000 2.387 615 N HA -0.102 4.638 4.740 0.000 0.000 0.176 615 N C 1.606 177.281 175.510 0.275 0.000 1.022 615 N CA 0.479 53.629 53.050 0.166 0.000 0.883 615 N CB 0.217 38.768 38.487 0.107 0.000 1.019 615 N HN 0.296 nan 8.380 nan 0.000 0.435 616 Q N 1.006 121.019 119.800 0.355 0.000 2.061 616 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 616 Q C 1.871 178.220 176.000 0.581 0.000 0.984 616 Q CA 1.396 57.483 55.803 0.472 0.000 0.846 616 Q CB -0.632 28.462 28.738 0.593 0.000 0.902 616 Q HN 0.326 nan 8.270 nan 0.000 0.421 617 F N -0.132 120.032 119.950 0.356 0.000 2.063 617 F HA -0.278 4.249 4.527 0.000 0.000 0.298 617 F C 1.721 177.684 175.800 0.273 0.000 1.109 617 F CA 1.674 59.791 58.000 0.194 0.000 1.212 617 F CB -0.570 38.249 39.000 -0.300 0.000 0.973 617 F HN 0.279 nan 8.300 nan 0.000 0.480 618 L N 0.103 121.485 121.223 0.266 0.000 2.131 618 L HA -0.185 4.155 4.340 0.000 0.000 0.210 618 L C 2.415 179.348 176.870 0.105 0.000 1.092 618 L CA 2.204 57.096 54.840 0.087 0.000 0.759 618 L CB -1.178 40.955 42.059 0.123 0.000 0.903 618 L HN 0.386 nan 8.230 nan 0.000 0.435 619 H N -0.992 118.151 119.070 0.122 0.000 2.357 619 H HA -0.126 4.430 4.556 0.000 0.000 0.301 619 H C 1.774 177.157 175.328 0.092 0.000 1.082 619 H CA 1.961 58.070 56.048 0.103 0.000 1.342 619 H CB 0.120 29.962 29.762 0.134 0.000 1.389 619 H HN 0.315 nan 8.280 nan 0.000 0.511 620 D N -0.229 120.325 120.400 0.257 0.000 2.117 620 D HA -0.171 4.470 4.640 0.000 0.000 0.197 620 D C 1.903 178.216 176.300 0.022 0.000 0.987 620 D CA 0.925 55.073 54.000 0.246 0.000 0.829 620 D CB -0.574 40.568 40.800 0.569 0.000 0.961 620 D HN 0.382 nan 8.370 nan 0.000 0.460 621 F N 1.848 121.634 119.950 -0.274 0.000 2.186 621 F HA -0.091 4.436 4.527 0.000 0.000 0.299 621 F C 1.935 177.443 175.800 -0.486 0.000 1.090 621 F CA 1.211 58.746 58.000 -0.776 0.000 1.307 621 F CB 0.070 38.502 39.000 -0.946 0.000 1.019 621 F HN -0.206 nan 8.300 nan 0.000 0.489 622 K N -0.499 119.622 120.400 -0.465 0.000 2.057 622 K HA -0.150 4.170 4.320 0.000 0.000 0.206 622 K C 2.474 178.810 176.600 -0.440 0.000 1.050 622 K CA 1.296 57.309 56.287 -0.458 0.000 0.935 622 K CB -0.608 31.747 32.500 -0.242 0.000 0.715 622 K HN 0.242 nan 8.250 nan 0.000 0.439 623 S N 1.301 116.771 115.700 -0.385 0.000 2.359 623 S HA -0.156 4.315 4.470 0.000 0.000 0.224 623 S C 1.907 176.355 174.600 -0.254 0.000 1.035 623 S CA 1.157 59.184 58.200 -0.287 0.000 1.018 623 S CB -0.147 62.923 63.200 -0.216 0.000 0.876 623 S HN 0.205 nan 8.310 nan 0.000 0.448 624 L N 1.604 122.650 121.223 -0.296 0.000 2.131 624 L HA 0.083 4.423 4.340 0.000 0.000 0.206 624 L C 2.529 179.198 176.870 -0.336 0.000 1.087 624 L CA 2.206 56.889 54.840 -0.261 0.000 0.767 624 L CB -0.871 41.058 42.059 -0.216 0.000 0.917 624 L HN 0.507 nan 8.230 nan 0.000 0.441 625 S N -1.404 113.959 115.700 -0.563 0.000 2.406 625 S HA -0.150 4.321 4.470 0.000 0.000 0.228 625 S C 2.041 176.426 174.600 -0.359 0.000 1.020 625 S CA 0.974 58.832 58.200 -0.570 0.000 0.965 625 S CB -1.080 61.472 63.200 -1.080 0.000 0.798 625 S HN 0.611 nan 8.310 nan 0.000 0.488 626 S N 1.392 116.898 115.700 -0.324 0.000 2.584 626 S HA 0.118 4.588 4.470 0.000 0.000 0.240 626 S C 1.537 176.045 174.600 -0.153 0.000 0.975 626 S CA 0.631 58.704 58.200 -0.211 0.000 0.949 626 S CB -0.970 62.118 63.200 -0.187 0.000 0.761 626 S HN 0.643 nan 8.310 nan 0.000 0.536 627 I N 0.290 120.769 120.570 -0.152 0.000 3.059 627 I HA 0.105 4.275 4.170 0.000 0.000 0.270 627 I C 1.301 177.363 176.117 -0.092 0.000 1.238 627 I CA 0.742 61.978 61.300 -0.107 0.000 1.478 627 I CB -0.058 37.884 38.000 -0.097 0.000 1.097 627 I HN 0.312 nan 8.210 nan 0.000 0.455 628 L N 0.143 121.301 121.223 -0.108 0.000 2.728 628 L HA 0.181 4.521 4.340 0.000 0.000 0.238 628 L C 1.048 177.871 176.870 -0.078 0.000 1.143 628 L CA -0.278 54.512 54.840 -0.084 0.000 0.937 628 L CB -0.070 41.940 42.059 -0.082 0.000 1.225 628 L HN 0.135 nan 8.230 nan 0.000 0.507 629 S N 1.098 116.743 115.700 -0.091 0.000 2.544 629 S HA 0.268 4.738 4.470 0.000 0.000 0.290 629 S C 0.020 174.582 174.600 -0.063 0.000 1.276 629 S CA -0.483 57.669 58.200 -0.080 0.000 1.075 629 S CB 0.400 63.546 63.200 -0.090 0.000 0.849 629 S HN 0.086 nan 8.310 nan 0.000 0.494 630 L N 4.448 125.641 121.223 -0.049 0.000 2.479 630 L HA 0.481 4.822 4.340 0.000 0.000 0.249 630 L C -0.871 175.969 176.870 -0.050 0.000 1.178 630 L CA -1.714 53.103 54.840 -0.038 0.000 0.811 630 L CB -1.176 40.872 42.059 -0.020 0.000 1.187 630 L HN 0.454 nan 8.230 nan 0.000 0.480 631 P HA -0.262 nan 4.420 nan 0.000 0.241 631 P C -0.207 177.041 177.300 -0.086 0.000 0.841 631 P CA 1.088 64.158 63.100 -0.050 0.000 1.115 631 P CB -0.085 31.599 31.700 -0.027 0.000 0.725 632 S N -0.926 114.728 115.700 -0.077 0.000 2.577 632 S HA 0.280 4.750 4.470 0.000 0.000 0.294 632 S C -0.184 174.376 174.600 -0.067 0.000 1.161 632 S CA -0.367 57.745 58.200 -0.147 0.000 1.143 632 S CB -1.238 61.907 63.200 -0.091 0.000 0.991 632 S HN 0.349 nan 8.310 nan 0.000 0.475 633 H N 0.253 119.309 119.070 -0.023 0.000 3.366 633 H HA -0.212 4.344 4.556 0.000 0.000 0.233 633 H C 0.635 175.950 175.328 -0.022 0.000 1.102 633 H CA 0.882 56.913 56.048 -0.027 0.000 1.184 633 H CB -1.967 27.783 29.762 -0.021 0.000 1.216 633 H HN 0.778 nan 8.280 nan 0.000 0.317 634 A N 1.924 124.787 122.820 0.071 0.000 2.550 634 A HA 0.180 4.500 4.320 0.000 0.000 0.263 634 A C 0.881 178.489 177.584 0.041 0.000 1.065 634 A CA 1.152 53.219 52.037 0.050 0.000 0.786 634 A CB -0.110 18.905 19.000 0.026 0.000 0.985 634 A HN 0.294 nan 8.150 nan 0.000 0.518 635 T N 3.112 117.694 114.554 0.047 0.000 2.884 635 T HA 0.226 4.576 4.350 0.000 0.000 0.298 635 T C 0.415 175.136 174.700 0.035 0.000 0.998 635 T CA 0.180 62.292 62.100 0.020 0.000 1.124 635 T CB 0.126 69.012 68.868 0.030 0.000 0.931 635 T HN 0.768 nan 8.240 nan 0.000 0.531 636 N N 1.106 119.808 118.700 0.004 0.000 2.408 636 N HA 0.245 4.985 4.740 0.000 0.000 0.280 636 N C 0.465 175.996 175.510 0.035 0.000 1.002 636 N CA -0.600 52.478 53.050 0.046 0.000 0.907 636 N CB 0.614 39.124 38.487 0.038 0.000 1.161 636 N HN 0.594 nan 8.380 nan 0.000 0.488 637 Y N 4.130 124.428 120.300 -0.003 0.000 2.070 637 Y HA -0.209 4.341 4.550 0.000 0.000 0.280 637 Y C 1.594 177.476 175.900 -0.031 0.000 1.148 637 Y CA 1.856 59.964 58.100 0.014 0.000 1.125 637 Y CB 0.127 38.648 38.460 0.101 0.000 0.975 637 Y HN 0.542 nan 8.280 nan 0.000 0.492 638 K N 0.096 120.509 120.400 0.022 0.000 2.063 638 K HA -0.151 4.170 4.320 0.000 0.000 0.208 638 K C 1.475 178.017 176.600 -0.098 0.000 1.048 638 K CA 1.018 57.268 56.287 -0.060 0.000 0.928 638 K CB -1.446 31.085 32.500 0.052 0.000 0.713 638 K HN 0.270 nan 8.250 nan 0.000 0.442 642 L N 2.625 123.747 121.223 -0.169 0.000 2.131 642 L HA 0.083 4.424 4.340 0.000 0.000 0.210 642 L C 1.766 178.536 176.870 -0.167 0.000 1.092 642 L CA 2.305 57.014 54.840 -0.219 0.000 0.759 642 L CB -0.636 41.142 42.059 -0.468 0.000 0.903 642 L HN 0.400 nan 8.230 nan 0.000 0.435 643 H N -0.332 118.654 119.070 -0.141 0.000 2.357 643 H HA -0.078 4.478 4.556 0.000 0.000 0.301 643 H C 2.133 177.431 175.328 -0.050 0.000 1.082 643 H CA 1.980 57.991 56.048 -0.061 0.000 1.342 643 H CB 0.092 29.829 29.762 -0.042 0.000 1.389 643 H HN 0.476 nan 8.280 nan 0.000 0.511 644 E N -0.173 120.061 120.200 0.055 0.000 2.152 644 E HA -0.108 4.242 4.350 0.000 0.000 0.192 644 E C 1.954 178.520 176.600 -0.058 0.000 0.983 644 E CA 0.528 56.939 56.400 0.018 0.000 0.818 644 E CB -0.003 29.714 29.700 0.028 0.000 0.758 644 E HN 0.235 nan 8.360 nan 0.000 0.467 645 L N 0.776 121.943 121.223 -0.093 0.000 2.017 645 L HA -0.168 4.172 4.340 0.000 0.000 0.208 645 L C 2.187 178.963 176.870 -0.155 0.000 1.073 645 L CA 1.356 56.111 54.840 -0.142 0.000 0.745 645 L CB -0.159 41.809 42.059 -0.151 0.000 0.894 645 L HN -0.060 nan 8.230 nan 0.000 0.432 646 V N -0.652 119.185 119.914 -0.129 0.000 2.626 646 V HA -0.240 3.880 4.120 0.000 0.000 0.252 646 V C 2.491 178.533 176.094 -0.088 0.000 1.067 646 V CA 1.646 63.863 62.300 -0.139 0.000 1.081 646 V CB -0.700 31.077 31.823 -0.076 0.000 0.686 646 V HN 0.440 nan 8.190 nan 0.000 0.468 647 K N 0.040 120.413 120.400 -0.045 0.000 2.057 647 K HA -0.015 4.306 4.320 0.000 0.000 0.206 647 K C 2.008 178.538 176.600 -0.117 0.000 1.050 647 K CA 1.384 57.676 56.287 0.008 0.000 0.935 647 K CB -0.210 32.350 32.500 0.100 0.000 0.715 647 K HN 0.373 nan 8.250 nan 0.000 0.439 648 I N 1.267 121.701 120.570 -0.226 0.000 2.493 648 I HA -0.237 3.933 4.170 0.000 0.000 0.254 648 I C 1.896 177.878 176.117 -0.225 0.000 1.160 648 I CA 0.962 62.048 61.300 -0.356 0.000 1.445 648 I CB -0.177 37.623 38.000 -0.334 0.000 1.086 648 I HN 0.149 nan 8.210 nan 0.000 0.433 649 L N 0.373 121.502 121.223 -0.157 0.000 2.291 649 L HA -0.125 4.215 4.340 0.000 0.000 0.214 649 L C 2.076 178.957 176.870 0.018 0.000 1.120 649 L CA 1.068 55.845 54.840 -0.104 0.000 0.799 649 L CB -0.386 41.572 42.059 -0.169 0.000 0.925 649 L HN 0.165 nan 8.230 nan 0.000 0.446 650 K N 0.019 120.441 120.400 0.037 0.000 2.444 650 K HA -0.012 4.309 4.320 0.000 0.000 0.193 650 K C 1.482 178.241 176.600 0.265 0.000 1.024 650 K CA 0.025 56.425 56.287 0.188 0.000 1.077 650 K CB 0.204 32.763 32.500 0.099 0.000 0.833 650 K HN 0.097 nan 8.250 nan 0.000 0.517 651 L N 1.246 122.527 121.223 0.096 0.000 2.633 651 L HA -0.090 4.250 4.340 0.000 0.000 0.235 651 L C 1.747 178.685 176.870 0.113 0.000 1.163 651 L CA 1.385 56.282 54.840 0.096 0.000 0.859 651 L CB -0.217 41.804 42.059 -0.065 0.000 0.973 651 L HN -0.118 nan 8.230 nan 0.000 0.451 652 K N -1.178 119.281 120.400 0.099 0.000 2.361 652 K HA -0.032 4.288 4.320 0.000 0.000 0.196 652 K C 0.350 176.759 176.600 -0.319 0.000 1.039 652 K CA 1.190 57.380 56.287 -0.162 0.000 1.001 652 K CB -0.086 32.204 32.500 -0.349 0.000 0.795 652 K HN 0.391 nan 8.250 nan 0.000 0.495 653 Y N 0.265 120.603 120.300 0.064 0.000 2.720 653 Y HA 0.338 4.888 4.550 0.000 0.000 0.268 653 Y C -0.561 175.389 175.900 0.083 0.000 1.142 653 Y CA -1.355 56.785 58.100 0.067 0.000 1.193 653 Y CB 0.320 38.817 38.460 0.062 0.000 1.176 653 Y HN -0.028 nan 8.280 nan 0.000 0.542 654 D N 2.282 122.811 120.400 0.215 0.000 2.453 654 D HA 0.177 4.817 4.640 0.000 0.000 0.238 654 D C -2.124 174.253 176.300 0.128 0.000 1.088 654 D CA -1.953 52.164 54.000 0.195 0.000 0.854 654 D CB 2.561 43.535 40.800 0.290 0.000 1.076 654 D HN 0.043 nan 8.370 nan 0.000 0.533 655 P HA -0.085 nan 4.420 nan 0.000 0.218 655 P C 0.879 178.197 177.300 0.030 0.000 1.152 655 P CA 0.607 63.735 63.100 0.048 0.000 0.826 655 P CB 0.304 32.028 31.700 0.039 0.000 0.790 656 N N -0.168 118.556 118.700 0.040 0.000 2.519 656 N HA -0.106 4.634 4.740 0.000 0.000 0.186 656 N C 0.778 176.288 175.510 -0.000 0.000 1.062 656 N CA 0.776 53.836 53.050 0.016 0.000 0.910 656 N CB -0.727 37.774 38.487 0.022 0.000 0.958 656 N HN 0.181 nan 8.380 nan 0.000 0.445 657 N N -0.040 118.682 118.700 0.038 0.000 2.301 657 N HA -0.005 4.736 4.740 0.000 0.000 0.247 657 N C -0.204 175.282 175.510 -0.040 0.000 1.347 657 N CA -0.053 52.980 53.050 -0.028 0.000 0.844 657 N CB 0.573 39.228 38.487 0.281 0.000 1.332 657 N HN 0.275 nan 8.380 nan 0.000 0.494 658 Q N 1.198 120.991 119.800 -0.012 0.000 2.362 658 Q HA -0.023 4.317 4.340 0.000 0.000 0.215 658 Q C 1.440 177.400 176.000 -0.066 0.000 0.944 658 Q CA 0.491 56.302 55.803 0.013 0.000 0.964 658 Q CB 0.138 28.883 28.738 0.013 0.000 0.998 658 Q HN 0.419 nan 8.270 nan 0.000 0.488 659 Q N -1.647 118.008 119.800 -0.241 0.000 2.402 659 Q HA -0.030 4.311 4.340 0.000 0.000 0.206 659 Q C 0.755 176.596 176.000 -0.265 0.000 0.919 659 Q CA 0.388 56.003 55.803 -0.314 0.000 0.923 659 Q CB -0.028 28.411 28.738 -0.497 0.000 1.048 659 Q HN 0.456 nan 8.270 nan 0.000 0.515 660 F N 1.148 121.115 119.950 0.028 0.000 2.558 660 F HA 0.117 4.644 4.527 0.000 0.000 0.298 660 F C 1.385 177.318 175.800 0.222 0.000 1.119 660 F CA 0.281 58.394 58.000 0.188 0.000 1.451 660 F CB 0.241 39.375 39.000 0.223 0.000 1.091 660 F HN -0.004 nan 8.300 nan 0.000 0.563 661 L N 0.313 121.679 121.223 0.238 0.000 2.682 661 L HA 0.009 4.349 4.340 0.000 0.000 0.240 661 L C 0.594 177.532 176.870 0.112 0.000 1.178 661 L CA -0.031 54.891 54.840 0.136 0.000 0.970 661 L CB -0.871 41.232 42.059 0.074 0.000 1.179 661 L HN 0.109 nan 8.230 nan 0.000 0.435 662 N N 1.975 120.766 118.700 0.152 0.000 2.406 662 N HA 0.106 4.847 4.740 0.000 0.000 0.251 662 N C -1.496 174.095 175.510 0.135 0.000 1.069 662 N CA -1.556 51.565 53.050 0.119 0.000 0.947 662 N CB 1.638 40.183 38.487 0.097 0.000 1.111 662 N HN -0.087 nan 8.380 nan 0.000 0.497 663 P HA -0.216 nan 4.420 nan 0.000 0.218 663 P C 0.492 177.858 177.300 0.110 0.000 1.152 663 P CA 1.609 64.786 63.100 0.128 0.000 0.857 663 P CB 0.449 32.236 31.700 0.144 0.000 0.787 664 E N -1.740 118.520 120.200 0.100 0.000 2.152 664 E HA -0.184 4.166 4.350 0.000 0.000 0.192 664 E C 2.170 178.820 176.600 0.083 0.000 0.983 664 E CA 0.695 57.145 56.400 0.083 0.000 0.818 664 E CB -0.550 29.192 29.700 0.071 0.000 0.758 664 E HN 0.301 nan 8.360 nan 0.000 0.467 665 Y N 1.280 121.563 120.300 -0.028 0.000 2.263 665 Y HA -0.070 4.480 4.550 0.000 0.000 0.292 665 Y C 1.783 177.596 175.900 -0.145 0.000 1.130 665 Y CA 0.944 58.998 58.100 -0.077 0.000 1.179 665 Y CB -0.062 38.386 38.460 -0.020 0.000 0.998 665 Y HN -0.073 nan 8.280 nan 0.000 0.532 666 I N 0.091 120.525 120.570 -0.228 0.000 2.252 666 I HA -0.284 3.886 4.170 0.000 0.000 0.245 666 I C 2.026 177.997 176.117 -0.242 0.000 1.102 666 I CA 1.563 62.671 61.300 -0.320 0.000 1.385 666 I CB -0.361 37.411 38.000 -0.380 0.000 1.064 666 I HN 0.108 nan 8.210 nan 0.000 0.414 667 K N 0.183 120.534 120.400 -0.080 0.000 2.288 667 K HA -0.060 4.260 4.320 0.000 0.000 0.201 667 K C 1.948 178.528 176.600 -0.035 0.000 1.048 667 K CA 1.216 57.534 56.287 0.050 0.000 0.956 667 K CB -0.171 32.406 32.500 0.129 0.000 0.746 667 K HN 0.228 nan 8.250 nan 0.000 0.461 668 T N -0.139 114.330 114.554 -0.141 0.000 2.833 668 T HA -0.078 4.272 4.350 0.000 0.000 0.269 668 T C 1.403 175.970 174.700 -0.222 0.000 1.054 668 T CA 1.353 63.359 62.100 -0.157 0.000 1.135 668 T CB -0.310 68.464 68.868 -0.156 0.000 0.869 668 T HN 0.553 nan 8.240 nan 0.000 0.466 669 G N 1.846 110.406 108.800 -0.400 0.000 2.148 669 G HA2 -0.279 3.681 3.960 0.000 0.000 0.254 669 G HA3 -0.279 3.681 3.960 0.000 0.000 0.254 669 G C 0.136 174.765 174.900 -0.452 0.000 0.981 669 G CA 0.272 45.205 45.100 -0.279 0.000 0.670 669 G HN 0.608 nan 8.290 nan 0.000 0.528 670 N N 0.117 118.394 118.700 -0.706 0.000 2.558 670 N HA 0.574 5.314 4.740 0.000 0.000 0.233 670 N C -0.627 174.543 175.510 -0.568 0.000 1.038 670 N CA -0.623 52.183 53.050 -0.406 0.000 0.934 670 N CB -0.124 38.262 38.487 -0.167 0.000 1.175 670 N HN 0.115 nan 8.380 nan 0.000 0.512 671 F N 2.069 122.002 119.950 -0.028 0.000 2.311 671 F HA 0.358 4.885 4.527 0.000 0.000 0.371 671 F C 1.094 176.920 175.800 0.043 0.000 1.083 671 F CA -0.559 57.447 58.000 0.010 0.000 1.113 671 F CB 1.606 40.542 39.000 -0.107 0.000 1.349 671 F HN 0.339 nan 8.300 nan 0.000 0.470 672 T N -1.717 112.963 114.554 0.210 0.000 3.115 672 T HA -0.070 4.281 4.350 0.000 0.000 0.256 672 T C 2.057 176.847 174.700 0.151 0.000 0.970 672 T CA 0.808 62.993 62.100 0.142 0.000 1.010 672 T CB 0.061 68.989 68.868 0.100 0.000 1.151 672 T HN 0.458 nan 8.240 nan 0.000 0.479 673 S N 2.771 118.595 115.700 0.206 0.000 2.356 673 S HA -0.070 4.400 4.470 0.000 0.000 0.223 673 S C 2.038 176.771 174.600 0.222 0.000 1.032 673 S CA 1.025 59.368 58.200 0.238 0.000 1.005 673 S CB -0.803 62.581 63.200 0.306 0.000 0.867 673 S HN 0.241 nan 8.310 nan 0.000 0.449 674 L N 1.658 122.927 121.223 0.077 0.000 2.046 674 L HA 0.144 4.484 4.340 0.000 0.000 0.208 674 L C 2.427 179.258 176.870 -0.065 0.000 1.077 674 L CA 1.891 56.515 54.840 -0.360 0.000 0.747 674 L CB -0.892 40.842 42.059 -0.541 0.000 0.896 674 L HN 0.269 nan 8.230 nan 0.000 0.432 675 K N -0.935 119.479 120.400 0.024 0.000 2.280 675 K HA -0.147 4.174 4.320 0.000 0.000 0.202 675 K C 1.617 178.254 176.600 0.061 0.000 1.047 675 K CA 1.288 57.597 56.287 0.038 0.000 0.942 675 K CB 0.159 32.689 32.500 0.051 0.000 0.739 675 K HN 0.413 nan 8.250 nan 0.000 0.457 676 E N -0.773 119.475 120.200 0.079 0.000 2.251 676 E HA 0.022 4.372 4.350 0.000 0.000 0.194 676 E C 1.774 178.423 176.600 0.082 0.000 0.964 676 E CA 0.717 57.162 56.400 0.074 0.000 0.868 676 E CB -0.081 29.663 29.700 0.074 0.000 0.828 676 E HN 0.273 nan 8.360 nan 0.000 0.481 677 A N 0.289 123.187 122.820 0.129 0.000 1.930 677 A HA -0.116 4.204 4.320 0.000 0.000 0.217 677 A C 1.083 178.682 177.584 0.024 0.000 1.175 677 A CA 0.991 53.106 52.037 0.130 0.000 0.627 677 A CB -0.407 18.785 19.000 0.320 0.000 0.815 677 A HN 0.190 nan 8.150 nan 0.000 0.443 678 Y N 0.642 120.942 120.300 0.000 0.000 2.681 678 Y HA 0.200 4.751 4.550 0.000 0.000 0.267 678 Y C 1.096 176.996 175.900 0.000 0.000 1.166 678 Y CA -0.143 57.955 58.100 -0.003 0.000 1.209 678 Y CB -0.126 38.311 38.460 -0.038 0.000 1.161 678 Y HN 0.398 nan 8.280 nan 0.000 0.534 679 S N -0.091 115.669 115.700 0.101 0.000 3.317 679 S HA -0.274 4.196 4.470 0.000 0.000 0.358 679 S C -0.081 174.568 174.600 0.081 0.000 0.945 679 S CA 0.284 58.525 58.200 0.069 0.000 1.279 679 S CB -2.435 60.792 63.200 0.045 0.000 0.905 679 S HN 0.442 nan 8.310 nan 0.000 0.507 680 I N 1.106 121.719 120.570 0.072 0.000 2.322 680 I HA 0.199 4.369 4.170 0.000 0.000 0.292 680 I C 1.317 177.443 176.117 0.016 0.000 1.060 680 I CA -0.306 61.027 61.300 0.055 0.000 1.309 680 I CB 0.822 38.828 38.000 0.010 0.000 1.415 680 I HN 0.359 nan 8.210 nan 0.000 0.492 681 K N 4.236 124.640 120.400 0.006 0.000 2.399 681 K HA 0.112 4.432 4.320 0.000 0.000 0.196 681 K C 0.747 177.165 176.600 -0.303 0.000 1.103 681 K CA 0.565 56.741 56.287 -0.185 0.000 0.986 681 K CB 0.423 32.715 32.500 -0.346 0.000 0.952 681 K HN 0.475 nan 8.250 nan 0.000 0.541 682 Y N 0.762 121.056 120.300 -0.009 0.000 2.464 682 Y HA 0.167 4.717 4.550 0.000 0.000 0.288 682 Y C 0.717 176.566 175.900 -0.084 0.000 1.133 682 Y CA -0.761 57.306 58.100 -0.055 0.000 1.223 682 Y CB -0.020 38.236 38.460 -0.340 0.000 1.187 682 Y HN -0.121 nan 8.280 nan 0.000 0.539 683 L N 2.987 124.234 121.223 0.040 0.000 2.615 683 L HA -0.011 4.329 4.340 0.000 0.000 0.271 683 L C 0.011 176.873 176.870 -0.014 0.000 1.183 683 L CA 0.202 55.024 54.840 -0.030 0.000 0.933 683 L CB -0.073 41.938 42.059 -0.080 0.000 1.199 683 L HN 0.062 nan 8.230 nan 0.000 0.487 684 K N 3.953 124.360 120.400 0.011 0.000 2.205 684 K HA 0.104 4.425 4.320 0.000 0.000 0.279 684 K C 0.731 177.302 176.600 -0.049 0.000 1.027 684 K CA -0.512 55.784 56.287 0.014 0.000 0.932 684 K CB 0.842 33.381 32.500 0.064 0.000 1.032 684 K HN 0.582 nan 8.250 nan 0.000 0.466 685 D N 1.171 121.547 120.400 -0.041 0.000 2.569 685 D HA -0.311 4.330 4.640 0.000 0.000 0.191 685 D C 1.378 177.609 176.300 -0.115 0.000 1.042 685 D CA 2.507 56.470 54.000 -0.062 0.000 0.873 685 D CB -0.301 40.531 40.800 0.053 0.000 0.946 685 D HN 0.612 nan 8.370 nan 0.000 0.467 686 T N 0.370 114.897 114.554 -0.045 0.000 2.597 686 T HA -0.228 4.122 4.350 0.000 0.000 0.267 686 T C 1.661 176.309 174.700 -0.086 0.000 1.053 686 T CA 1.918 63.997 62.100 -0.034 0.000 1.165 686 T CB -0.295 68.571 68.868 -0.003 0.000 0.863 686 T HN 0.295 nan 8.240 nan 0.000 0.427 687 K N 0.479 120.819 120.400 -0.100 0.000 2.365 687 K HA 0.146 4.466 4.320 0.000 0.000 0.199 687 K C 2.164 178.631 176.600 -0.221 0.000 1.045 687 K CA 0.616 56.829 56.287 -0.124 0.000 0.962 687 K CB -0.236 32.209 32.500 -0.092 0.000 0.759 687 K HN 0.401 nan 8.250 nan 0.000 0.469 688 I N 1.295 121.664 120.570 -0.335 0.000 2.202 688 I HA -0.267 3.903 4.170 0.000 0.000 0.242 688 I C 2.554 178.276 176.117 -0.658 0.000 1.091 688 I CA 1.248 62.217 61.300 -0.551 0.000 1.368 688 I CB -0.340 37.147 38.000 -0.855 0.000 1.058 688 I HN 0.199 nan 8.210 nan 0.000 0.410 689 Q N 0.904 120.322 119.800 -0.637 0.000 2.014 689 Q HA -0.251 4.089 4.340 0.000 0.000 0.207 689 Q C 1.907 177.726 176.000 -0.301 0.000 0.993 689 Q CA 2.009 57.532 55.803 -0.467 0.000 0.850 689 Q CB -0.244 28.408 28.738 -0.144 0.000 0.916 689 Q HN 0.533 nan 8.270 nan 0.000 0.417 690 D N 0.112 120.452 120.400 -0.100 0.000 2.190 690 D HA -0.171 4.469 4.640 0.000 0.000 0.200 690 D C 1.711 177.955 176.300 -0.093 0.000 0.992 690 D CA 1.174 55.179 54.000 0.008 0.000 0.854 690 D CB 0.002 40.804 40.800 0.003 0.000 0.936 690 D HN 0.268 nan 8.370 nan 0.000 0.462 691 A N 1.206 123.914 122.820 -0.186 0.000 1.877 691 A HA -0.127 4.193 4.320 0.000 0.000 0.216 691 A C 2.426 179.885 177.584 -0.209 0.000 1.186 691 A CA 0.838 52.754 52.037 -0.201 0.000 0.620 691 A CB -0.764 18.089 19.000 -0.245 0.000 0.822 691 A HN 0.148 nan 8.150 nan 0.000 0.443 692 L N -2.169 118.887 121.223 -0.278 0.000 2.017 692 L HA -0.212 4.128 4.340 0.000 0.000 0.208 692 L C 2.591 179.307 176.870 -0.257 0.000 1.073 692 L CA 1.579 56.259 54.840 -0.265 0.000 0.745 692 L CB -0.767 41.104 42.059 -0.314 0.000 0.894 692 L HN 0.496 nan 8.230 nan 0.000 0.432 693 Y N -0.380 119.730 120.300 -0.316 0.000 2.333 693 Y HA -0.270 4.280 4.550 0.000 0.000 0.290 693 Y C 2.809 178.340 175.900 -0.615 0.000 1.144 693 Y CA 0.506 58.225 58.100 -0.634 0.000 1.228 693 Y CB -0.110 37.922 38.460 -0.713 0.000 0.985 693 Y HN 0.082 nan 8.280 nan 0.000 0.542 694 R N 0.742 121.144 120.500 -0.164 0.000 2.120 694 R HA -0.149 4.191 4.340 0.000 0.000 0.234 694 R C 1.767 178.032 176.300 -0.058 0.000 1.123 694 R CA 1.475 57.523 56.100 -0.088 0.000 0.975 694 R CB -0.444 29.806 30.300 -0.084 0.000 0.866 694 R HN 0.376 nan 8.270 nan 0.000 0.446 695 I N -0.800 119.720 120.570 -0.083 0.000 2.339 695 I HA -0.166 4.004 4.170 0.000 0.000 0.245 695 I C 2.070 178.179 176.117 -0.014 0.000 1.096 695 I CA 0.834 62.108 61.300 -0.043 0.000 1.408 695 I CB -0.201 37.767 38.000 -0.054 0.000 1.092 695 I HN 0.117 nan 8.210 nan 0.000 0.423 696 I N 0.374 120.919 120.570 -0.041 0.000 2.208 696 I HA -0.336 3.834 4.170 0.000 0.000 0.245 696 I C 1.726 177.969 176.117 0.210 0.000 1.097 696 I CA 1.849 63.176 61.300 0.046 0.000 1.363 696 I CB -0.253 37.767 38.000 0.033 0.000 1.051 696 I HN 0.267 nan 8.210 nan 0.000 0.413 697 Y N 0.644 120.987 120.300 0.073 0.000 2.465 697 Y HA 0.118 4.668 4.550 0.000 0.000 0.311 697 Y C 1.746 177.658 175.900 0.020 0.000 1.204 697 Y CA -0.146 57.975 58.100 0.037 0.000 1.272 697 Y CB -0.214 38.260 38.460 0.023 0.000 1.083 697 Y HN 0.402 nan 8.280 nan 0.000 0.508 698 G N 0.946 109.837 108.800 0.152 0.000 2.168 698 G HA2 -0.353 3.607 3.960 0.000 0.000 0.257 698 G HA3 -0.353 3.607 3.960 0.000 0.000 0.257 698 G C 0.846 175.789 174.900 0.072 0.000 0.997 698 G CA 0.605 45.755 45.100 0.084 0.000 0.708 698 G HN 0.461 nan 8.290 nan 0.000 0.520 699 N N -0.358 118.392 118.700 0.084 0.000 2.396 699 N HA 0.023 4.764 4.740 0.000 0.000 0.180 699 N C 1.025 176.583 175.510 0.080 0.000 1.028 699 N CA 0.835 53.928 53.050 0.073 0.000 0.893 699 N CB 0.232 38.763 38.487 0.072 0.000 0.967 699 N HN 0.554 nan 8.380 nan 0.000 0.440 700 I N 2.226 122.838 120.570 0.069 0.000 2.328 700 I HA 0.216 4.386 4.170 0.000 0.000 0.287 700 I C 0.070 176.234 176.117 0.079 0.000 1.012 700 I CA -0.350 61.011 61.300 0.102 0.000 1.195 700 I CB 1.022 39.073 38.000 0.085 0.000 1.350 700 I HN -0.209 nan 8.210 nan 0.000 0.464 701 L N 0.000 121.297 121.223 0.124 0.000 2.949 701 L HA 0.000 4.340 4.340 0.000 0.000 0.249 701 L CA 0.000 54.897 54.840 0.094 0.000 0.813 701 L CB 0.000 42.110 42.059 0.085 0.000 0.961 701 L HN 0.000 nan 8.230 nan 0.000 0.502