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 2d73_1_B DATA FIRST_RESID 22 DATA SEQUENCE QQKLTSPDNN LVMTFQVDSK GAPTYELTYK NKVVIKPSTL GLELKKEDNT DATA SEQUENCE RTDFDWVDRR DLTKLDSKTN LYDGFEVKDT QTATFDETWQ PVWGEEKEIR DATA SEQUENCE NHYNELAVTL YQPMNDRSIV IRFRLFNDGL GFRYEFPQQK SLNYFVIKEE DATA SEQUENCE HSQFGMNGDH IAFWIPGDYD TQEYDYTISR LSEIRGLMKE AITPNSSQTP DATA SEQUENCE FSQTGVQTAL MMKTDDGLYI NLHEAALVDY SCMHLNLDDK NMVFESWLTP DATA SEQUENCE DAKGDKGYMQ TPCNTPWRTI IVSDDARNIL ASRITLNLNE PCKIADAASW DATA SEQUENCE VKPVKYIGVW WDMITGKGSW AYTDELTSVK LGETDYSKTK PNGKHSANTA DATA SEQUENCE NVKRYIDFAA AHGFDAVLVE GWNEGWEDWF GNSKDYVFDF VTPYPDFDVK DATA SEQUENCE EIHRYAARKG IKMMMHHETS ASVRNYERHM DKAYQFMADN GYNSVKSGYV DATA SEQUENCE GNIIPRGEHH YGQWMNNHYL YAVKKAADYK IMVNAHEATR PTGICRTYPN DATA SEQUENCE LIGNESARGT EYESFGGNKV YHTTILPFTR LVGGPMDYTP GIFETHCNKM DATA SEQUENCE NPANNSQVRS TIARQLALYV TMYSPLQMAA DIPENYERFM DAFQFIKDVA DATA SEQUENCE LDWDETNYLE AEPGEYITIA RKAKDTDDWY VGCTAGENGH TSKLVFDFLT DATA SEQUENCE PGKQYIATVY ADAKDADWKE NPQAYTIKKG ILTNKSKLNL HAANGGGYAI DATA SEQUENCE SIKEVKDKSE AKGLKRL 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 22 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.022 176.000 0.037 0.000 1.003 22 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 22 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 23 Q N 0.847 120.695 119.800 0.080 0.000 2.274 23 Q HA 0.565 4.905 4.340 0.000 0.000 0.260 23 Q C -1.202 174.821 176.000 0.038 0.000 0.974 23 Q CA -0.543 55.307 55.803 0.079 0.000 0.876 23 Q CB 1.680 30.495 28.738 0.129 0.000 1.297 23 Q HN 0.289 nan 8.270 nan 0.000 0.446 24 K N 1.870 122.281 120.400 0.017 0.000 2.345 24 K HA 0.537 4.857 4.320 0.000 0.000 0.255 24 K C -1.362 175.237 176.600 -0.003 0.000 0.934 24 K CA -0.870 55.420 56.287 0.004 0.000 0.801 24 K CB 1.996 34.501 32.500 0.008 0.000 1.137 24 K HN 0.457 nan 8.250 nan 0.000 0.424 25 L N 1.543 122.759 121.223 -0.012 0.000 2.385 25 L HA 0.506 4.846 4.340 0.000 0.000 0.273 25 L C -0.895 175.986 176.870 0.018 0.000 0.990 25 L CA 0.066 54.905 54.840 -0.002 0.000 0.821 25 L CB 2.139 44.185 42.059 -0.021 0.000 1.279 25 L HN 0.539 nan 8.230 nan 0.000 0.412 26 T N 2.100 116.667 114.554 0.021 0.000 2.887 26 T HA 0.560 4.910 4.350 0.000 0.000 0.288 26 T C -0.285 174.427 174.700 0.020 0.000 1.021 26 T CA -0.481 61.635 62.100 0.026 0.000 1.000 26 T CB 1.505 70.383 68.868 0.017 0.000 1.034 26 T HN 0.764 nan 8.240 nan 0.000 0.467 27 S N 2.166 117.885 115.700 0.032 0.000 2.593 27 S HA 0.208 4.679 4.470 0.000 0.000 0.269 27 S C -1.886 172.698 174.600 -0.027 0.000 1.334 27 S CA -0.983 57.225 58.200 0.014 0.000 1.015 27 S CB 0.372 63.612 63.200 0.066 0.000 0.912 27 S HN 0.344 nan 8.310 nan 0.000 0.541 28 P HA -0.133 nan 4.420 nan 0.000 0.217 28 P C 0.644 177.933 177.300 -0.019 0.000 1.148 28 P CA 1.564 64.597 63.100 -0.111 0.000 0.828 28 P CB -0.154 31.323 31.700 -0.371 0.000 0.783 29 D N -2.758 117.640 120.400 -0.002 0.000 2.328 29 D HA -0.024 4.616 4.640 0.000 0.000 0.221 29 D C 0.394 176.700 176.300 0.010 0.000 1.072 29 D CA -0.174 53.838 54.000 0.020 0.000 0.850 29 D CB -1.103 39.719 40.800 0.037 0.000 0.922 29 D HN -0.005 nan 8.370 nan 0.000 0.516 30 N N 0.027 118.732 118.700 0.007 0.000 2.900 30 N HA -0.243 4.497 4.740 0.000 0.000 0.240 30 N C 0.407 175.911 175.510 -0.010 0.000 0.953 30 N CA 1.135 54.187 53.050 0.002 0.000 0.950 30 N CB -1.850 36.636 38.487 -0.002 0.000 1.102 30 N HN 0.501 nan 8.380 nan 0.000 0.593 31 N N -0.120 118.571 118.700 -0.014 0.000 2.270 31 N HA -0.006 4.734 4.740 0.000 0.000 0.181 31 N C -0.101 175.389 175.510 -0.033 0.000 1.016 31 N CA 0.644 53.649 53.050 -0.075 0.000 0.870 31 N CB 0.135 38.552 38.487 -0.116 0.000 0.979 31 N HN 0.101 nan 8.380 nan 0.000 0.431 32 L N 0.781 122.045 121.223 0.068 0.000 2.325 32 L HA 0.450 4.790 4.340 0.000 0.000 0.278 32 L C -0.634 176.292 176.870 0.094 0.000 1.023 32 L CA -0.601 54.319 54.840 0.132 0.000 0.811 32 L CB 2.104 44.290 42.059 0.213 0.000 1.249 32 L HN -0.251 nan 8.230 nan 0.000 0.431 33 V N 3.564 123.536 119.914 0.097 0.000 2.569 33 V HA 0.521 4.641 4.120 0.000 0.000 0.301 33 V C -0.443 175.701 176.094 0.083 0.000 1.044 33 V CA -0.502 61.840 62.300 0.070 0.000 0.874 33 V CB 1.871 33.721 31.823 0.044 0.000 1.002 33 V HN 0.704 nan 8.190 nan 0.000 0.424 34 M N 4.261 123.899 119.600 0.064 0.000 2.167 34 M HA 0.536 5.016 4.480 0.000 0.000 0.333 34 M C -0.648 175.650 176.300 -0.004 0.000 1.030 34 M CA 0.130 55.463 55.300 0.056 0.000 0.963 34 M CB 1.388 34.009 32.600 0.035 0.000 1.589 34 M HN 0.692 nan 8.290 nan 0.000 0.431 35 T N 6.168 120.729 114.554 0.011 0.000 2.771 35 T HA 0.522 4.872 4.350 0.000 0.000 0.281 35 T C -1.011 173.692 174.700 0.005 0.000 0.982 35 T CA -0.234 61.863 62.100 -0.004 0.000 0.978 35 T CB 0.710 69.571 68.868 -0.011 0.000 0.930 35 T HN 0.518 nan 8.240 nan 0.000 0.447 36 F N 3.776 123.629 119.950 -0.161 0.000 2.508 36 F HA 0.664 5.191 4.527 0.000 0.000 0.325 36 F C -0.397 175.361 175.800 -0.071 0.000 1.090 36 F CA -0.585 57.319 58.000 -0.160 0.000 0.945 36 F CB 1.410 40.227 39.000 -0.306 0.000 1.156 36 F HN 0.657 nan 8.300 nan 0.000 0.463 37 Q N 3.281 122.364 119.800 -1.194 0.000 2.647 37 Q HA 0.578 4.918 4.340 0.000 0.000 0.283 37 Q C -2.413 173.096 176.000 -0.818 0.000 0.943 37 Q CA -1.193 54.143 55.803 -0.778 0.000 0.813 37 Q CB 1.963 30.506 28.738 -0.325 0.000 1.477 37 Q HN 0.455 nan 8.270 nan 0.000 0.393 38 V N 2.535 122.205 119.914 -0.406 0.000 2.398 38 V HA 0.263 4.384 4.120 0.000 0.000 0.286 38 V C -0.204 175.828 176.094 -0.103 0.000 1.026 38 V CA -0.303 61.882 62.300 -0.192 0.000 0.868 38 V CB 1.177 32.991 31.823 -0.014 0.000 0.982 38 V HN 0.928 nan 8.190 nan 0.000 0.443 39 D N 3.402 123.764 120.400 -0.064 0.000 2.398 39 D HA 0.063 4.703 4.640 0.000 0.000 0.264 39 D C 1.517 177.813 176.300 -0.006 0.000 1.263 39 D CA 0.195 54.172 54.000 -0.038 0.000 1.037 39 D CB 0.317 41.101 40.800 -0.027 0.000 1.101 39 D HN 0.455 nan 8.370 nan 0.000 0.551 40 S N -0.904 114.793 115.700 -0.005 0.000 2.419 40 S HA -0.270 4.200 4.470 0.000 0.000 0.235 40 S C 1.326 175.934 174.600 0.013 0.000 1.019 40 S CA 1.315 59.516 58.200 0.003 0.000 0.982 40 S CB -0.755 62.445 63.200 -0.001 0.000 0.789 40 S HN 0.726 nan 8.310 nan 0.000 0.490 41 K N 0.545 120.958 120.400 0.022 0.000 2.387 41 K HA 0.462 4.782 4.320 0.000 0.000 0.198 41 K C 1.098 177.726 176.600 0.047 0.000 1.022 41 K CA 0.310 56.615 56.287 0.029 0.000 1.128 41 K CB -0.292 32.230 32.500 0.037 0.000 0.853 41 K HN 0.459 nan 8.250 nan 0.000 0.523 42 G N 0.672 109.509 108.800 0.062 0.000 2.147 42 G HA2 -0.280 3.681 3.960 0.000 0.000 0.244 42 G HA3 -0.280 3.681 3.960 0.000 0.000 0.244 42 G C 0.065 175.095 174.900 0.216 0.000 1.005 42 G CA -0.012 45.156 45.100 0.113 0.000 0.713 42 G HN 0.652 nan 8.290 nan 0.000 0.515 43 A N 0.386 123.306 122.820 0.167 0.000 2.260 43 A HA 0.772 5.092 4.320 0.000 0.000 0.308 43 A C -1.888 175.773 177.584 0.129 0.000 1.254 43 A CA -1.515 50.651 52.037 0.216 0.000 0.874 43 A CB 0.933 20.033 19.000 0.167 0.000 1.153 43 A HN 0.115 nan 8.150 nan 0.000 0.527 44 P HA 0.219 nan 4.420 nan 0.000 0.267 44 P C -0.395 176.941 177.300 0.060 0.000 1.205 44 P CA 0.676 63.840 63.100 0.107 0.000 0.765 44 P CB 0.820 32.665 31.700 0.241 0.000 0.828 45 T N 3.407 117.862 114.554 -0.165 0.000 2.893 45 T HA 0.603 4.953 4.350 0.000 0.000 0.293 45 T C -0.946 173.736 174.700 -0.031 0.000 1.027 45 T CA -0.438 61.618 62.100 -0.073 0.000 0.988 45 T CB 0.898 69.681 68.868 -0.141 0.000 1.043 45 T HN 0.342 nan 8.240 nan 0.000 0.461 46 Y N 0.213 120.480 120.300 -0.055 0.000 2.581 46 Y HA 0.828 5.379 4.550 0.001 0.000 0.345 46 Y C -0.879 175.012 175.900 -0.015 0.000 1.036 46 Y CA -1.179 56.906 58.100 -0.026 0.000 1.042 46 Y CB 1.648 40.128 38.460 0.033 0.000 1.289 46 Y HN 0.758 nan 8.280 nan 0.000 0.471 47 E N 2.642 122.770 120.200 -0.120 0.000 2.413 47 E HA 0.643 4.993 4.350 0.000 0.000 0.277 47 E C -2.420 174.216 176.600 0.060 0.000 0.958 47 E CA -1.197 55.111 56.400 -0.153 0.000 0.779 47 E CB 2.980 32.620 29.700 -0.099 0.000 1.278 47 E HN 0.736 nan 8.360 nan 0.000 0.456 48 L N 1.063 122.341 121.223 0.092 0.000 2.455 48 L HA 0.580 4.920 4.340 0.000 0.000 0.264 48 L C -1.233 175.727 176.870 0.150 0.000 0.968 48 L CA 0.060 55.003 54.840 0.171 0.000 0.827 48 L CB 2.416 44.642 42.059 0.279 0.000 1.317 48 L HN 0.873 nan 8.230 nan 0.000 0.407 49 T N 1.035 115.677 114.554 0.147 0.000 2.908 49 T HA 0.607 4.958 4.350 0.000 0.000 0.290 49 T C -1.251 173.572 174.700 0.206 0.000 1.034 49 T CA -0.560 61.629 62.100 0.147 0.000 1.010 49 T CB 1.540 70.461 68.868 0.088 0.000 1.068 49 T HN 0.536 nan 8.240 nan 0.000 0.481 50 Y N 1.554 121.894 120.300 0.066 0.000 2.329 50 Y HA 0.437 4.987 4.550 0.000 0.000 0.328 50 Y C 0.252 176.181 175.900 0.048 0.000 0.992 50 Y CA -0.965 57.173 58.100 0.063 0.000 1.151 50 Y CB 1.075 39.577 38.460 0.069 0.000 1.150 50 Y HN 0.971 nan 8.280 nan 0.000 0.450 51 K N 5.709 125.857 120.400 -0.421 0.000 3.077 51 K HA -0.339 3.981 4.320 0.000 0.000 0.264 51 K C -0.020 176.509 176.600 -0.119 0.000 1.008 51 K CA 1.029 57.112 56.287 -0.341 0.000 0.740 51 K CB -1.150 31.041 32.500 -0.514 0.000 1.273 51 K HN 0.985 nan 8.250 nan 0.000 0.477 52 N N -1.441 117.228 118.700 -0.051 0.000 2.828 52 N HA -0.172 4.569 4.740 0.000 0.000 0.248 52 N C -0.719 174.808 175.510 0.028 0.000 1.044 52 N CA 1.603 54.651 53.050 -0.004 0.000 0.851 52 N CB -0.539 37.940 38.487 -0.014 0.000 1.136 52 N HN 0.521 nan 8.380 nan 0.000 0.572 53 K N 0.746 121.183 120.400 0.061 0.000 2.182 53 K HA 0.506 4.827 4.320 0.000 0.000 0.262 53 K C 0.098 176.768 176.600 0.117 0.000 0.957 53 K CA -0.643 55.699 56.287 0.092 0.000 0.842 53 K CB 2.330 34.904 32.500 0.124 0.000 1.099 53 K HN -0.187 nan 8.250 nan 0.000 0.438 54 V N 3.741 123.713 119.914 0.096 0.000 2.529 54 V HA -0.048 4.072 4.120 0.000 0.000 0.292 54 V C 1.004 177.178 176.094 0.133 0.000 1.028 54 V CA 0.243 62.604 62.300 0.101 0.000 1.074 54 V CB 1.020 32.888 31.823 0.076 0.000 0.958 54 V HN 0.676 nan 8.190 nan 0.000 0.481 55 V N 5.484 125.488 119.914 0.151 0.000 2.806 55 V HA 0.261 4.381 4.120 0.000 0.000 0.239 55 V C 0.410 176.622 176.094 0.196 0.000 1.113 55 V CA 0.624 63.028 62.300 0.173 0.000 1.137 55 V CB 0.408 32.340 31.823 0.182 0.000 0.865 55 V HN 0.597 nan 8.190 nan 0.000 0.482 56 I N 1.436 122.105 120.570 0.166 0.000 2.410 56 I HA 0.393 4.563 4.170 0.000 0.000 0.286 56 I C -0.083 176.039 176.117 0.008 0.000 1.009 56 I CA -0.601 60.775 61.300 0.127 0.000 1.111 56 I CB 1.438 39.529 38.000 0.150 0.000 1.262 56 I HN 0.209 nan 8.210 nan 0.000 0.443 57 K N 6.041 126.441 120.400 -0.001 0.000 2.120 57 K HA 0.315 4.635 4.320 0.000 0.000 0.245 57 K C -2.329 174.191 176.600 -0.134 0.000 1.024 57 K CA -1.427 54.835 56.287 -0.042 0.000 0.906 57 K CB 0.107 32.596 32.500 -0.017 0.000 1.051 57 K HN 0.235 nan 8.250 nan 0.000 0.491 58 P HA -0.077 nan 4.420 nan 0.000 0.255 58 P C -1.230 175.961 177.300 -0.182 0.000 1.161 58 P CA 0.835 63.835 63.100 -0.165 0.000 0.768 58 P CB 0.396 32.035 31.700 -0.102 0.000 0.746 59 S N 1.394 116.913 115.700 -0.301 0.000 2.536 59 S HA 0.552 5.023 4.470 0.000 0.000 0.287 59 S C -0.071 174.492 174.600 -0.062 0.000 1.101 59 S CA -0.700 57.373 58.200 -0.210 0.000 0.950 59 S CB 1.382 64.383 63.200 -0.331 0.000 1.056 59 S HN 0.465 nan 8.310 nan 0.000 0.481 60 T N 0.725 115.303 114.554 0.039 0.000 2.874 60 T HA 0.773 5.124 4.350 0.000 0.000 0.281 60 T C -0.369 174.449 174.700 0.196 0.000 0.994 60 T CA -0.723 61.446 62.100 0.116 0.000 1.015 60 T CB 0.165 69.092 68.868 0.099 0.000 1.028 60 T HN 0.439 nan 8.240 nan 0.000 0.523 61 L N 0.621 121.983 121.223 0.233 0.000 2.401 61 L HA 0.798 5.139 4.340 0.000 0.000 0.266 61 L C 0.431 177.538 176.870 0.395 0.000 0.991 61 L CA -0.744 54.278 54.840 0.303 0.000 0.818 61 L CB 2.151 44.284 42.059 0.122 0.000 1.321 61 L HN 1.213 nan 8.230 nan 0.000 0.413 62 G N 1.816 110.894 108.800 0.464 0.000 2.337 62 G HA2 0.472 4.433 3.960 0.000 0.000 0.298 62 G HA3 0.472 4.433 3.960 0.000 0.000 0.298 62 G C -2.321 172.708 174.900 0.216 0.000 1.335 62 G CA -0.769 44.537 45.100 0.343 0.000 0.875 62 G HN 0.325 nan 8.290 nan 0.000 0.579 63 L N -0.514 120.861 121.223 0.253 0.000 2.469 63 L HA 0.760 5.100 4.340 0.000 0.000 0.256 63 L C -0.324 176.765 176.870 0.365 0.000 1.006 63 L CA -0.773 54.188 54.840 0.200 0.000 0.832 63 L CB 2.393 44.461 42.059 0.015 0.000 1.421 63 L HN 0.856 nan 8.230 nan 0.000 0.410 64 E N 1.365 121.747 120.200 0.302 0.000 2.183 64 E HA 0.705 5.055 4.350 0.000 0.000 0.271 64 E C -1.574 175.089 176.600 0.105 0.000 0.919 64 E CA -0.570 56.019 56.400 0.316 0.000 0.781 64 E CB 1.257 31.163 29.700 0.343 0.000 1.140 64 E HN 0.509 nan 8.360 nan 0.000 0.402 65 L N 3.245 124.504 121.223 0.061 0.000 2.352 65 L HA 0.454 4.794 4.340 0.000 0.000 0.269 65 L C 0.335 177.202 176.870 -0.004 0.000 1.034 65 L CA -1.067 53.781 54.840 0.013 0.000 0.806 65 L CB 1.218 43.268 42.059 -0.016 0.000 1.244 65 L HN 0.522 nan 8.230 nan 0.000 0.447 66 K N 2.045 122.423 120.400 -0.037 0.000 2.401 66 K HA 0.077 4.398 4.320 0.000 0.000 0.278 66 K C -0.154 176.428 176.600 -0.030 0.000 1.018 66 K CA -0.301 55.956 56.287 -0.049 0.000 0.981 66 K CB 0.761 33.203 32.500 -0.097 0.000 0.933 66 K HN 0.447 nan 8.250 nan 0.000 0.477 67 K N 3.231 123.619 120.400 -0.021 0.000 2.382 67 K HA -0.011 4.309 4.320 0.000 0.000 0.275 67 K C -0.586 176.005 176.600 -0.017 0.000 1.009 67 K CA 0.065 56.342 56.287 -0.016 0.000 0.970 67 K CB 0.567 33.061 32.500 -0.010 0.000 0.934 67 K HN 0.535 nan 8.250 nan 0.000 0.479 68 E N 2.599 122.792 120.200 -0.012 0.000 2.383 68 E HA -0.042 4.309 4.350 0.000 0.000 0.264 68 E C -0.463 176.132 176.600 -0.007 0.000 1.050 68 E CA -0.499 55.896 56.400 -0.008 0.000 0.896 68 E CB 0.533 30.232 29.700 -0.002 0.000 0.982 68 E HN 0.640 nan 8.360 nan 0.000 0.424 69 D N 2.867 123.263 120.400 -0.006 0.000 2.472 69 D HA -0.100 4.540 4.640 0.000 0.000 0.237 69 D C 0.349 176.646 176.300 -0.004 0.000 1.141 69 D CA 0.013 54.010 54.000 -0.006 0.000 0.875 69 D CB 0.666 41.462 40.800 -0.007 0.000 1.192 69 D HN 0.338 nan 8.370 nan 0.000 0.450 70 N N 0.868 119.566 118.700 -0.002 0.000 2.069 70 N HA -0.156 4.584 4.740 0.000 0.000 0.191 70 N C 0.841 176.352 175.510 0.002 0.000 1.031 70 N CA 1.340 54.390 53.050 -0.000 0.000 0.852 70 N CB -0.161 38.327 38.487 0.001 0.000 1.018 70 N HN 0.589 nan 8.380 nan 0.000 0.423 71 T N 0.974 115.530 114.554 0.003 0.000 3.042 71 T HA 0.395 4.746 4.350 0.000 0.000 0.356 71 T C -0.837 173.863 174.700 -0.000 0.000 1.233 71 T CA -0.675 61.430 62.100 0.008 0.000 1.038 71 T CB 0.229 69.107 68.868 0.017 0.000 1.089 71 T HN -0.044 nan 8.240 nan 0.000 0.531 72 R N 2.919 123.415 120.500 -0.007 0.000 2.480 72 R HA 0.666 5.006 4.340 0.000 0.000 0.306 72 R C -0.737 175.544 176.300 -0.031 0.000 0.958 72 R CA -0.306 55.780 56.100 -0.024 0.000 0.861 72 R CB 1.505 31.792 30.300 -0.022 0.000 1.171 72 R HN 0.548 nan 8.270 nan 0.000 0.445 73 T N 2.582 117.097 114.554 -0.065 0.000 2.908 73 T HA 0.273 4.624 4.350 0.000 0.000 0.290 73 T C -0.869 173.748 174.700 -0.138 0.000 1.034 73 T CA -0.681 61.367 62.100 -0.087 0.000 1.010 73 T CB 1.490 70.302 68.868 -0.093 0.000 1.068 73 T HN 0.517 nan 8.240 nan 0.000 0.481 74 D N 0.082 120.419 120.400 -0.106 0.000 2.414 74 D HA 0.127 4.767 4.640 0.000 0.000 0.251 74 D C 0.857 177.052 176.300 -0.174 0.000 1.252 74 D CA -0.483 53.467 54.000 -0.082 0.000 0.999 74 D CB 0.606 41.396 40.800 -0.016 0.000 1.093 74 D HN 0.384 nan 8.370 nan 0.000 0.515 75 F N 0.835 120.647 119.950 -0.230 0.000 2.269 75 F HA -0.193 4.335 4.527 0.000 0.000 0.301 75 F C 1.613 177.233 175.800 -0.300 0.000 1.082 75 F CA 1.665 59.488 58.000 -0.296 0.000 1.360 75 F CB -0.091 38.814 39.000 -0.158 0.000 1.041 75 F HN 0.323 nan 8.300 nan 0.000 0.512 76 D N -2.954 117.371 120.400 -0.125 0.000 2.363 76 D HA -0.200 4.440 4.640 0.000 0.000 0.226 76 D C 0.310 176.666 176.300 0.095 0.000 1.020 76 D CA 0.284 54.273 54.000 -0.018 0.000 0.892 76 D CB -1.141 39.707 40.800 0.080 0.000 0.900 76 D HN 0.479 nan 8.370 nan 0.000 0.531 77 W N -1.044 120.187 121.300 -0.116 0.000 3.382 77 W HA -0.191 4.469 4.660 0.000 0.000 0.323 77 W C -0.954 175.536 176.519 -0.049 0.000 1.237 77 W CA -0.045 57.244 57.345 -0.093 0.000 0.652 77 W CB -2.052 27.340 29.460 -0.114 0.000 2.310 77 W HN -0.065 nan 8.180 nan 0.000 1.304 78 V N 0.770 120.734 119.914 0.084 0.000 2.483 78 V HA 0.248 4.369 4.120 0.000 0.000 0.297 78 V C 0.028 176.139 176.094 0.029 0.000 1.027 78 V CA -0.876 61.463 62.300 0.066 0.000 0.855 78 V CB 1.949 33.808 31.823 0.060 0.000 0.995 78 V HN -0.036 nan 8.190 nan 0.000 0.424 79 D N 4.604 125.022 120.400 0.030 0.000 2.325 79 D HA 0.212 4.853 4.640 0.000 0.000 0.251 79 D C 0.588 176.898 176.300 0.016 0.000 1.196 79 D CA -0.344 53.665 54.000 0.015 0.000 0.866 79 D CB 0.960 41.770 40.800 0.017 0.000 1.101 79 D HN 0.352 nan 8.370 nan 0.000 0.476 80 R N 3.572 124.079 120.500 0.013 0.000 2.515 80 R HA 0.201 4.542 4.340 0.000 0.000 0.294 80 R C 0.300 176.607 176.300 0.013 0.000 1.021 80 R CA -0.256 55.853 56.100 0.015 0.000 1.081 80 R CB 0.307 30.618 30.300 0.018 0.000 1.263 80 R HN 0.322 nan 8.270 nan 0.000 0.557 81 R N 0.177 120.683 120.500 0.010 0.000 2.691 81 R HA 0.220 4.560 4.340 0.000 0.000 0.259 81 R C -0.296 176.006 176.300 0.004 0.000 1.048 81 R CA -0.809 55.295 56.100 0.007 0.000 1.086 81 R CB 0.852 31.155 30.300 0.005 0.000 1.166 81 R HN -0.180 nan 8.270 nan 0.000 0.526 82 D N 1.947 122.347 120.400 0.000 0.000 2.468 82 D HA 0.086 4.726 4.640 0.000 0.000 0.218 82 D C 0.942 177.238 176.300 -0.007 0.000 1.155 82 D CA -0.090 53.908 54.000 -0.003 0.000 0.924 82 D CB 0.584 41.380 40.800 -0.007 0.000 1.029 82 D HN 0.449 nan 8.370 nan 0.000 0.515 83 L N 2.375 123.596 121.223 -0.004 0.000 2.450 83 L HA -0.176 4.164 4.340 0.000 0.000 0.225 83 L C 2.304 179.169 176.870 -0.010 0.000 1.145 83 L CA 1.383 56.220 54.840 -0.005 0.000 0.801 83 L CB -0.557 41.501 42.059 -0.002 0.000 0.924 83 L HN 0.430 nan 8.230 nan 0.000 0.447 84 T N -4.745 109.802 114.554 -0.012 0.000 3.067 84 T HA -0.018 4.332 4.350 0.000 0.000 0.257 84 T C 1.747 176.433 174.700 -0.023 0.000 1.105 84 T CA 0.190 62.281 62.100 -0.016 0.000 1.104 84 T CB 0.107 68.966 68.868 -0.014 0.000 0.925 84 T HN 0.075 nan 8.240 nan 0.000 0.498 85 K N 0.754 121.139 120.400 -0.026 0.000 2.361 85 K HA 0.380 4.700 4.320 0.000 0.000 0.194 85 K C 2.029 178.606 176.600 -0.040 0.000 1.032 85 K CA 0.007 56.272 56.287 -0.037 0.000 1.048 85 K CB -0.211 32.266 32.500 -0.037 0.000 0.842 85 K HN 0.396 nan 8.250 nan 0.000 0.526 86 L N 0.962 122.168 121.223 -0.028 0.000 2.189 86 L HA -0.235 4.106 4.340 0.000 0.000 0.214 86 L C 1.883 178.735 176.870 -0.030 0.000 1.097 86 L CA 1.273 56.097 54.840 -0.025 0.000 0.764 86 L CB -0.271 41.778 42.059 -0.016 0.000 0.900 86 L HN 0.153 nan 8.230 nan 0.000 0.436 87 D N -0.797 119.584 120.400 -0.031 0.000 2.216 87 D HA -0.080 4.560 4.640 0.000 0.000 0.208 87 D C 2.325 178.596 176.300 -0.048 0.000 0.960 87 D CA 1.458 55.440 54.000 -0.030 0.000 0.861 87 D CB 0.301 41.088 40.800 -0.021 0.000 0.985 87 D HN 0.314 nan 8.370 nan 0.000 0.493 88 S N 0.291 115.950 115.700 -0.068 0.000 2.453 88 S HA -0.024 4.446 4.470 0.000 0.000 0.231 88 S C 1.650 176.164 174.600 -0.143 0.000 1.005 88 S CA 0.413 58.548 58.200 -0.109 0.000 0.949 88 S CB -0.096 63.035 63.200 -0.116 0.000 0.774 88 S HN 0.111 nan 8.310 nan 0.000 0.510 89 K N 1.340 121.673 120.400 -0.112 0.000 2.362 89 K HA -0.032 4.288 4.320 0.000 0.000 0.200 89 K C 2.104 178.630 176.600 -0.124 0.000 1.046 89 K CA 1.426 57.639 56.287 -0.123 0.000 0.952 89 K CB -0.445 32.004 32.500 -0.085 0.000 0.753 89 K HN 0.758 nan 8.250 nan 0.000 0.466 90 T N -1.067 113.432 114.554 -0.092 0.000 3.055 90 T HA -0.062 4.288 4.350 0.000 0.000 0.265 90 T C 0.855 175.509 174.700 -0.076 0.000 1.111 90 T CA 0.154 62.223 62.100 -0.051 0.000 1.118 90 T CB -0.138 68.734 68.868 0.005 0.000 0.909 90 T HN -0.050 nan 8.240 nan 0.000 0.501 91 N N 1.317 119.879 118.700 -0.229 0.000 2.406 91 N HA 0.187 4.928 4.740 0.000 0.000 0.251 91 N C -0.649 174.534 175.510 -0.544 0.000 1.069 91 N CA -0.553 52.139 53.050 -0.596 0.000 0.947 91 N CB 1.043 39.121 38.487 -0.682 0.000 1.111 91 N HN 0.242 nan 8.380 nan 0.000 0.497 92 L N 5.617 126.605 121.223 -0.392 0.000 3.291 92 L HA 0.303 4.644 4.340 0.000 0.000 0.307 92 L C -0.633 176.407 176.870 0.283 0.000 1.303 92 L CA -0.247 54.572 54.840 -0.034 0.000 0.949 92 L CB -0.236 41.849 42.059 0.043 0.000 1.375 92 L HN 0.559 nan 8.230 nan 0.000 0.596 93 Y N -3.074 117.398 120.300 0.287 0.000 2.452 93 Y HA 0.603 5.153 4.550 0.001 0.000 0.262 93 Y C 0.109 176.238 175.900 0.383 0.000 1.089 93 Y CA -0.607 57.705 58.100 0.353 0.000 1.262 93 Y CB -0.028 38.542 38.460 0.183 0.000 1.236 93 Y HN 0.239 nan 8.280 nan 0.000 0.512 94 D N -1.740 118.719 120.400 0.098 0.000 2.759 94 D HA 0.465 5.105 4.640 0.000 0.000 0.321 94 D C 0.838 176.959 176.300 -0.298 0.000 1.267 94 D CA -0.668 53.404 54.000 0.119 0.000 0.933 94 D CB 0.909 41.828 40.800 0.198 0.000 1.431 94 D HN 0.447 nan 8.370 nan 0.000 0.504 95 G N -1.356 107.357 108.800 -0.145 0.000 2.147 95 G HA2 -0.187 3.773 3.960 0.000 0.000 0.244 95 G HA3 -0.187 3.773 3.960 0.000 0.000 0.244 95 G C -0.396 174.323 174.900 -0.302 0.000 1.005 95 G CA 0.208 45.163 45.100 -0.242 0.000 0.713 95 G HN 0.346 nan 8.290 nan 0.000 0.515 96 F N 0.734 120.670 119.950 -0.024 0.000 2.403 96 F HA 0.641 5.168 4.527 0.000 0.000 0.326 96 F C 0.808 176.634 175.800 0.043 0.000 1.081 96 F CA -0.117 57.885 58.000 0.004 0.000 1.041 96 F CB 1.196 40.230 39.000 0.056 0.000 1.234 96 F HN 0.348 nan 8.300 nan 0.000 0.503 97 E N -0.467 119.920 120.200 0.313 0.000 2.331 97 E HA 0.497 4.847 4.350 0.000 0.000 0.275 97 E C -1.893 174.853 176.600 0.244 0.000 0.895 97 E CA -1.042 55.494 56.400 0.228 0.000 0.753 97 E CB 1.963 31.775 29.700 0.186 0.000 1.216 97 E HN 0.271 nan 8.360 nan 0.000 0.434 98 V N 3.787 123.820 119.914 0.198 0.000 2.446 98 V HA 0.013 4.133 4.120 0.000 0.000 0.276 98 V C 1.243 177.421 176.094 0.140 0.000 1.030 98 V CA 0.348 62.757 62.300 0.181 0.000 1.033 98 V CB 0.576 32.509 31.823 0.183 0.000 0.993 98 V HN 0.822 nan 8.190 nan 0.000 0.477 99 K N 3.052 123.531 120.400 0.131 0.000 2.242 99 K HA 0.121 4.441 4.320 0.000 0.000 0.200 99 K C 0.278 176.907 176.600 0.048 0.000 1.050 99 K CA 0.631 56.969 56.287 0.084 0.000 0.981 99 K CB 0.459 33.008 32.500 0.081 0.000 0.795 99 K HN 0.830 nan 8.250 nan 0.000 0.477 100 D N -0.642 119.787 120.400 0.049 0.000 2.683 100 D HA 0.143 4.783 4.640 0.000 0.000 0.246 100 D C -1.853 174.460 176.300 0.023 0.000 1.238 100 D CA -0.505 53.512 54.000 0.029 0.000 0.759 100 D CB 1.834 42.642 40.800 0.014 0.000 1.349 100 D HN 0.110 nan 8.370 nan 0.000 0.426 101 T N -0.419 114.146 114.554 0.019 0.000 2.912 101 T HA 0.784 5.134 4.350 0.000 0.000 0.299 101 T C -1.102 173.604 174.700 0.011 0.000 1.052 101 T CA -0.849 61.257 62.100 0.010 0.000 0.996 101 T CB 1.730 70.612 68.868 0.023 0.000 1.070 101 T HN 0.300 nan 8.240 nan 0.000 0.465 102 Q N 1.266 121.070 119.800 0.008 0.000 2.347 102 Q HA 0.678 5.018 4.340 0.000 0.000 0.271 102 Q C -0.463 175.553 176.000 0.028 0.000 1.064 102 Q CA -0.842 54.971 55.803 0.016 0.000 0.800 102 Q CB 2.424 31.171 28.738 0.014 0.000 1.304 102 Q HN 0.956 nan 8.270 nan 0.000 0.438 103 T N -1.287 113.286 114.554 0.033 0.000 2.932 103 T HA 0.981 5.331 4.350 0.000 0.000 0.289 103 T C -0.593 174.137 174.700 0.049 0.000 1.039 103 T CA -0.731 61.395 62.100 0.043 0.000 1.024 103 T CB 1.887 70.775 68.868 0.033 0.000 1.090 103 T HN 0.781 nan 8.240 nan 0.000 0.496 104 A N 0.832 123.690 122.820 0.062 0.000 2.597 104 A HA 0.717 5.038 4.320 0.000 0.000 0.292 104 A C -0.653 176.959 177.584 0.046 0.000 1.057 104 A CA -0.958 51.115 52.037 0.059 0.000 0.674 104 A CB 1.249 20.301 19.000 0.087 0.000 1.278 104 A HN 0.913 nan 8.150 nan 0.000 0.416 105 T N 0.906 115.464 114.554 0.007 0.000 2.861 105 T HA 0.669 5.020 4.350 0.000 0.000 0.287 105 T C -1.446 173.196 174.700 -0.097 0.000 1.003 105 T CA -0.067 62.001 62.100 -0.054 0.000 0.977 105 T CB 0.882 69.737 68.868 -0.022 0.000 0.996 105 T HN 0.739 nan 8.240 nan 0.000 0.448 106 F N 2.563 122.214 119.950 -0.499 0.000 2.540 106 F HA 0.616 5.143 4.527 0.000 0.000 0.317 106 F C -1.142 174.446 175.800 -0.352 0.000 1.104 106 F CA -0.768 56.925 58.000 -0.511 0.000 0.913 106 F CB 1.646 40.128 39.000 -0.864 0.000 1.170 106 F HN 0.406 nan 8.300 nan 0.000 0.450 107 D N 4.626 124.632 120.400 -0.657 0.000 2.337 107 D HA 0.242 4.883 4.640 0.000 0.000 0.238 107 D C -1.480 174.523 176.300 -0.495 0.000 1.331 107 D CA -0.070 53.668 54.000 -0.437 0.000 0.967 107 D CB 0.658 41.129 40.800 -0.548 0.000 1.382 107 D HN 0.474 nan 8.370 nan 0.000 0.549 108 E N 0.954 120.970 120.200 -0.306 0.000 2.383 108 E HA 0.520 4.870 4.350 0.000 0.000 0.275 108 E C -0.692 175.990 176.600 0.137 0.000 0.918 108 E CA -0.698 55.613 56.400 -0.149 0.000 0.764 108 E CB 1.987 31.552 29.700 -0.224 0.000 1.252 108 E HN 0.181 nan 8.360 nan 0.000 0.449 109 T N 2.054 116.675 114.554 0.111 0.000 2.855 109 T HA 0.643 4.993 4.350 0.000 0.000 0.281 109 T C -0.628 174.207 174.700 0.226 0.000 1.007 109 T CA -0.863 61.316 62.100 0.131 0.000 1.009 109 T CB 0.790 69.664 68.868 0.010 0.000 0.983 109 T HN 0.372 nan 8.240 nan 0.000 0.455 110 W N 1.318 122.626 121.300 0.014 0.000 3.029 110 W HA 0.620 5.280 4.660 0.001 0.000 0.339 110 W C -1.488 175.012 176.519 -0.031 0.000 1.198 110 W CA -1.207 56.134 57.345 -0.007 0.000 1.148 110 W CB 0.957 30.417 29.460 -0.000 0.000 1.451 110 W HN 0.464 nan 8.180 nan 0.000 0.564 111 Q N 2.697 122.564 119.800 0.111 0.000 2.341 111 Q HA 0.339 4.679 4.340 0.000 0.000 0.268 111 Q C -2.182 173.823 176.000 0.008 0.000 1.013 111 Q CA -1.810 53.942 55.803 -0.084 0.000 0.798 111 Q CB 2.624 31.338 28.738 -0.041 0.000 1.253 111 Q HN 0.070 nan 8.270 nan 0.000 0.457 112 P HA 0.037 nan 4.420 nan 0.000 0.274 112 P C 0.599 177.828 177.300 -0.118 0.000 1.231 112 P CA -0.270 62.779 63.100 -0.085 0.000 0.790 112 P CB 1.351 32.893 31.700 -0.263 0.000 0.951 113 V N 0.378 120.179 119.914 -0.189 0.000 2.343 113 V HA -0.080 4.041 4.120 0.000 0.000 0.247 113 V C 0.963 177.058 176.094 0.001 0.000 1.051 113 V CA 1.435 63.660 62.300 -0.125 0.000 1.036 113 V CB -0.864 30.863 31.823 -0.160 0.000 0.654 113 V HN 0.671 nan 8.190 nan 0.000 0.451 114 W N -1.578 119.727 121.300 0.008 0.000 3.127 114 W HA 0.702 5.362 4.660 0.000 0.000 0.330 114 W C -0.195 176.379 176.519 0.093 0.000 1.187 114 W CA -0.307 57.055 57.345 0.029 0.000 1.198 114 W CB 1.152 30.631 29.460 0.032 0.000 1.408 114 W HN 0.123 nan 8.180 nan 0.000 0.529 115 G N 0.614 109.663 108.800 0.416 0.000 2.341 115 G HA2 0.139 4.100 3.960 0.000 0.000 0.299 115 G HA3 0.139 4.100 3.960 0.000 0.000 0.299 115 G C -0.513 174.413 174.900 0.042 0.000 1.274 115 G CA -0.659 44.572 45.100 0.217 0.000 0.853 115 G HN 0.464 nan 8.290 nan 0.000 0.493 116 E N 0.140 120.161 120.200 -0.299 0.000 2.442 116 E HA 0.114 4.464 4.350 0.000 0.000 0.195 116 E C 0.311 176.838 176.600 -0.122 0.000 1.030 116 E CA 0.816 57.040 56.400 -0.293 0.000 0.869 116 E CB 0.277 29.685 29.700 -0.487 0.000 0.857 116 E HN 0.504 nan 8.360 nan 0.000 0.505 117 E N -0.139 119.992 120.200 -0.116 0.000 2.412 117 E HA 0.153 4.504 4.350 0.000 0.000 0.279 117 E C -0.143 176.381 176.600 -0.126 0.000 0.984 117 E CA -0.621 55.713 56.400 -0.110 0.000 0.788 117 E CB 1.241 30.855 29.700 -0.143 0.000 1.277 117 E HN -0.163 nan 8.360 nan 0.000 0.455 118 K N 0.149 120.484 120.400 -0.109 0.000 2.057 118 K HA -0.032 4.289 4.320 0.000 0.000 0.206 118 K C -0.025 176.471 176.600 -0.173 0.000 1.050 118 K CA 1.318 57.536 56.287 -0.114 0.000 0.935 118 K CB 0.311 32.763 32.500 -0.081 0.000 0.715 118 K HN 0.489 nan 8.250 nan 0.000 0.439 119 E N 0.251 120.333 120.200 -0.196 0.000 2.293 119 E HA 0.357 4.707 4.350 0.000 0.000 0.270 119 E C -1.200 175.197 176.600 -0.339 0.000 0.879 119 E CA -0.587 55.657 56.400 -0.260 0.000 0.756 119 E CB 2.334 31.940 29.700 -0.156 0.000 1.208 119 E HN 0.090 nan 8.360 nan 0.000 0.428 120 I N 2.190 122.424 120.570 -0.558 0.000 2.433 120 I HA 0.371 4.541 4.170 0.000 0.000 0.292 120 I C -0.153 175.767 176.117 -0.328 0.000 1.001 120 I CA -0.719 60.251 61.300 -0.550 0.000 1.119 120 I CB 1.851 39.262 38.000 -0.981 0.000 1.289 120 I HN 0.224 nan 8.210 nan 0.000 0.438 121 R N 5.317 125.770 120.500 -0.078 0.000 2.312 121 R HA 0.295 4.636 4.340 0.000 0.000 0.311 121 R C -0.529 175.932 176.300 0.268 0.000 1.004 121 R CA -0.345 55.810 56.100 0.091 0.000 0.902 121 R CB 0.863 31.214 30.300 0.084 0.000 1.073 121 R HN 0.674 nan 8.270 nan 0.000 0.457 122 N N 3.073 122.028 118.700 0.425 0.000 2.621 122 N HA 0.059 4.799 4.740 0.000 0.000 0.237 122 N C -1.573 174.316 175.510 0.631 0.000 0.997 122 N CA -0.329 53.097 53.050 0.627 0.000 0.918 122 N CB 0.508 39.432 38.487 0.727 0.000 1.122 122 N HN 0.613 nan 8.380 nan 0.000 0.510 123 H N 4.053 123.395 119.070 0.453 0.000 2.800 123 H HA 0.232 4.788 4.556 0.000 0.000 0.322 123 H C -1.504 173.881 175.328 0.095 0.000 0.979 123 H CA -0.676 55.486 56.048 0.189 0.000 1.277 123 H CB 0.688 30.527 29.762 0.130 0.000 1.484 123 H HN 0.559 nan 8.280 nan 0.000 0.512 124 Y N 2.032 122.283 120.300 -0.082 0.000 2.638 124 Y HA 0.427 4.977 4.550 0.000 0.000 0.335 124 Y C -1.631 174.132 175.900 -0.228 0.000 1.155 124 Y CA -1.393 56.396 58.100 -0.519 0.000 1.046 124 Y CB 0.996 38.696 38.460 -1.266 0.000 1.303 124 Y HN 0.383 nan 8.280 nan 0.000 0.460 125 N N 1.687 120.363 118.700 -0.040 0.000 2.399 125 N HA 0.289 5.029 4.740 0.000 0.000 0.295 125 N C -1.460 174.140 175.510 0.151 0.000 1.048 125 N CA -0.664 52.400 53.050 0.023 0.000 0.886 125 N CB 2.216 40.700 38.487 -0.005 0.000 1.185 125 N HN 0.851 nan 8.380 nan 0.000 0.487 126 E N 1.480 121.788 120.200 0.180 0.000 2.227 126 E HA 0.519 4.869 4.350 0.000 0.000 0.268 126 E C -1.474 175.202 176.600 0.128 0.000 0.907 126 E CA -0.764 55.755 56.400 0.198 0.000 0.786 126 E CB 1.499 31.369 29.700 0.282 0.000 1.191 126 E HN 0.283 nan 8.360 nan 0.000 0.411 127 L N 3.120 124.426 121.223 0.139 0.000 2.441 127 L HA 0.648 4.988 4.340 0.000 0.000 0.270 127 L C -1.700 175.236 176.870 0.111 0.000 0.973 127 L CA -0.282 54.617 54.840 0.099 0.000 0.842 127 L CB 1.522 43.614 42.059 0.054 0.000 1.239 127 L HN 0.548 nan 8.230 nan 0.000 0.406 128 A N 5.010 127.851 122.820 0.035 0.000 2.303 128 A HA 0.800 5.121 4.320 0.000 0.000 0.320 128 A C -1.176 176.367 177.584 -0.068 0.000 1.192 128 A CA -0.519 51.499 52.037 -0.031 0.000 0.821 128 A CB 1.275 20.255 19.000 -0.033 0.000 1.188 128 A HN 0.523 nan 8.150 nan 0.000 0.492 129 V N 2.706 122.532 119.914 -0.146 0.000 2.409 129 V HA 0.392 4.512 4.120 0.000 0.000 0.291 129 V C 0.195 176.210 176.094 -0.131 0.000 1.020 129 V CA -0.361 61.842 62.300 -0.162 0.000 0.848 129 V CB 1.662 33.264 31.823 -0.369 0.000 0.990 129 V HN 0.896 nan 8.190 nan 0.000 0.430 130 T N 7.094 121.618 114.554 -0.049 0.000 2.743 130 T HA 0.569 4.919 4.350 0.000 0.000 0.293 130 T C -0.230 174.499 174.700 0.049 0.000 0.945 130 T CA -0.083 62.009 62.100 -0.014 0.000 1.030 130 T CB 0.266 69.142 68.868 0.013 0.000 0.912 130 T HN 0.356 nan 8.240 nan 0.000 0.483 131 L N 4.225 125.478 121.223 0.050 0.000 2.298 131 L HA 0.465 4.805 4.340 0.000 0.000 0.284 131 L C -0.688 176.387 176.870 0.342 0.000 1.013 131 L CA -1.142 53.787 54.840 0.147 0.000 0.824 131 L CB 0.799 42.793 42.059 -0.108 0.000 1.221 131 L HN 0.593 nan 8.230 nan 0.000 0.418 132 Y N 3.338 123.779 120.300 0.235 0.000 2.323 132 Y HA 0.304 4.854 4.550 0.000 0.000 0.331 132 Y C -0.155 175.864 175.900 0.198 0.000 1.092 132 Y CA -0.477 57.738 58.100 0.191 0.000 1.150 132 Y CB 1.406 39.925 38.460 0.100 0.000 1.200 132 Y HN 0.528 nan 8.280 nan 0.000 0.472 133 Q N 8.596 128.021 119.800 -0.624 0.000 2.456 133 Q HA 0.321 4.661 4.340 0.000 0.000 0.252 133 Q C -2.255 173.186 176.000 -0.933 0.000 1.042 133 Q CA -2.193 53.189 55.803 -0.701 0.000 0.766 133 Q CB 1.573 29.892 28.738 -0.699 0.000 1.196 133 Q HN 0.497 nan 8.270 nan 0.000 0.504 134 P HA -0.274 nan 4.420 nan 0.000 0.216 134 P C 1.212 178.347 177.300 -0.274 0.000 1.157 134 P CA 1.885 64.729 63.100 -0.426 0.000 0.880 134 P CB -0.025 31.602 31.700 -0.122 0.000 0.791 135 M N -3.137 116.306 119.600 -0.262 0.000 2.346 135 M HA -0.076 4.404 4.480 0.000 0.000 0.263 135 M C 0.729 176.916 176.300 -0.189 0.000 1.064 135 M CA 2.038 57.221 55.300 -0.194 0.000 1.083 135 M CB -0.554 31.928 32.600 -0.197 0.000 1.399 135 M HN -0.157 nan 8.290 nan 0.000 0.435 136 N N 0.208 118.758 118.700 -0.251 0.000 2.171 136 N HA 0.038 4.778 4.740 0.000 0.000 0.212 136 N C -0.523 174.894 175.510 -0.154 0.000 1.184 136 N CA 0.296 53.230 53.050 -0.193 0.000 0.888 136 N CB 0.246 38.599 38.487 -0.222 0.000 1.038 136 N HN 0.364 nan 8.380 nan 0.000 0.517 137 D N 1.755 122.040 120.400 -0.191 0.000 2.704 137 D HA -0.215 4.425 4.640 0.000 0.000 0.232 137 D C -0.399 175.926 176.300 0.042 0.000 1.183 137 D CA 0.871 54.852 54.000 -0.032 0.000 0.647 137 D CB -0.669 40.177 40.800 0.077 0.000 1.013 137 D HN 0.539 nan 8.370 nan 0.000 0.415 138 R N -1.517 118.933 120.500 -0.082 0.000 2.739 138 R HA 0.793 5.133 4.340 0.000 0.000 0.271 138 R C -1.266 175.095 176.300 0.102 0.000 1.010 138 R CA -1.064 55.063 56.100 0.045 0.000 0.897 138 R CB 1.473 31.760 30.300 -0.021 0.000 1.236 138 R HN -0.001 nan 8.270 nan 0.000 0.466 139 S N 1.180 116.996 115.700 0.194 0.000 2.568 139 S HA 0.717 5.188 4.470 0.000 0.000 0.293 139 S C -0.336 174.364 174.600 0.166 0.000 1.089 139 S CA -0.838 57.504 58.200 0.236 0.000 0.945 139 S CB 1.484 64.841 63.200 0.261 0.000 1.077 139 S HN 0.630 nan 8.310 nan 0.000 0.485 140 I N -1.749 118.897 120.570 0.127 0.000 3.145 140 I HA 0.911 5.082 4.170 0.000 0.000 0.313 140 I C -1.535 174.519 176.117 -0.105 0.000 1.122 140 I CA -1.179 60.121 61.300 0.000 0.000 0.987 140 I CB 1.857 39.854 38.000 -0.004 0.000 1.236 140 I HN 0.349 nan 8.210 nan 0.000 0.453 141 V N 3.405 123.186 119.914 -0.222 0.000 2.656 141 V HA 0.520 4.640 4.120 0.000 0.000 0.307 141 V C -0.357 175.512 176.094 -0.375 0.000 1.051 141 V CA -0.426 61.727 62.300 -0.246 0.000 0.893 141 V CB 2.017 33.718 31.823 -0.204 0.000 0.999 141 V HN 0.517 nan 8.190 nan 0.000 0.426 142 I N 4.346 124.662 120.570 -0.423 0.000 2.382 142 I HA 0.539 4.710 4.170 0.000 0.000 0.286 142 I C -0.039 175.690 176.117 -0.648 0.000 1.002 142 I CA -0.480 60.426 61.300 -0.656 0.000 1.135 142 I CB 1.578 39.129 38.000 -0.748 0.000 1.288 142 I HN 0.516 nan 8.210 nan 0.000 0.448 143 R N 6.206 126.302 120.500 -0.672 0.000 2.338 143 R HA 0.589 4.929 4.340 0.000 0.000 0.317 143 R C -1.670 174.382 176.300 -0.412 0.000 0.968 143 R CA -0.424 55.431 56.100 -0.408 0.000 0.849 143 R CB 1.015 31.145 30.300 -0.284 0.000 1.128 143 R HN 0.344 nan 8.270 nan 0.000 0.448 144 F N 2.893 122.830 119.950 -0.022 0.000 2.469 144 F HA 0.525 5.052 4.527 0.001 0.000 0.332 144 F C 0.340 176.182 175.800 0.071 0.000 1.103 144 F CA -0.741 57.299 58.000 0.067 0.000 0.979 144 F CB 1.861 40.848 39.000 -0.022 0.000 1.137 144 F HN 0.247 nan 8.300 nan 0.000 0.463 145 R N 2.969 123.602 120.500 0.221 0.000 2.451 145 R HA 0.540 4.880 4.340 0.000 0.000 0.307 145 R C -1.804 174.473 176.300 -0.038 0.000 0.965 145 R CA -1.028 55.009 56.100 -0.105 0.000 0.865 145 R CB 2.177 32.092 30.300 -0.642 0.000 1.174 145 R HN 0.460 nan 8.270 nan 0.000 0.455 146 L N 4.673 125.864 121.223 -0.053 0.000 2.298 146 L HA 0.520 4.860 4.340 0.000 0.000 0.284 146 L C -1.305 175.522 176.870 -0.071 0.000 1.013 146 L CA -0.202 54.670 54.840 0.054 0.000 0.824 146 L CB 0.640 42.757 42.059 0.098 0.000 1.221 146 L HN 0.432 nan 8.230 nan 0.000 0.418 147 F N 2.606 122.609 119.950 0.089 0.000 2.461 147 F HA 0.431 4.959 4.527 0.000 0.000 0.332 147 F C 1.506 177.337 175.800 0.052 0.000 1.073 147 F CA -0.739 57.300 58.000 0.064 0.000 1.017 147 F CB 0.608 39.645 39.000 0.061 0.000 1.301 147 F HN 0.406 nan 8.300 nan 0.000 0.492 148 N N 0.535 119.380 118.700 0.241 0.000 2.453 148 N HA -0.100 4.641 4.740 0.000 0.000 0.183 148 N C 0.494 176.126 175.510 0.202 0.000 1.041 148 N CA 0.976 54.130 53.050 0.173 0.000 0.900 148 N CB -0.377 38.187 38.487 0.127 0.000 0.961 148 N HN 0.566 nan 8.380 nan 0.000 0.443 149 D N -1.578 118.936 120.400 0.189 0.000 2.479 149 D HA 0.311 4.951 4.640 0.000 0.000 0.218 149 D C 0.662 177.011 176.300 0.081 0.000 1.177 149 D CA -0.390 53.673 54.000 0.106 0.000 0.830 149 D CB 0.381 41.197 40.800 0.027 0.000 1.014 149 D HN 0.092 nan 8.370 nan 0.000 0.503 150 G N -0.263 108.643 108.800 0.176 0.000 2.336 150 G HA2 0.364 4.324 3.960 0.000 0.000 0.300 150 G HA3 0.364 4.324 3.960 0.000 0.000 0.300 150 G C -2.451 172.626 174.900 0.296 0.000 1.375 150 G CA -0.899 44.305 45.100 0.173 0.000 0.885 150 G HN 0.211 nan 8.290 nan 0.000 0.599 151 L N 0.327 121.716 121.223 0.278 0.000 2.346 151 L HA 0.946 5.286 4.340 0.000 0.000 0.274 151 L C 0.357 177.407 176.870 0.300 0.000 1.007 151 L CA 0.130 55.176 54.840 0.344 0.000 0.818 151 L CB 2.008 44.302 42.059 0.393 0.000 1.284 151 L HN 1.339 nan 8.230 nan 0.000 0.424 152 G N 3.496 112.482 108.800 0.309 0.000 2.591 152 G HA2 0.674 4.634 3.960 0.000 0.000 0.306 152 G HA3 0.674 4.634 3.960 0.000 0.000 0.306 152 G C -1.697 173.447 174.900 0.406 0.000 1.334 152 G CA -0.437 44.794 45.100 0.218 0.000 0.981 152 G HN 0.710 nan 8.290 nan 0.000 0.491 153 F N 0.344 120.447 119.950 0.255 0.000 2.645 153 F HA 0.915 5.443 4.527 0.000 0.000 0.310 153 F C -0.579 174.976 175.800 -0.408 0.000 1.102 153 F CA -1.625 56.268 58.000 -0.178 0.000 0.952 153 F CB 1.802 40.414 39.000 -0.646 0.000 1.326 153 F HN 0.806 nan 8.300 nan 0.000 0.456 154 R N 0.745 120.879 120.500 -0.610 0.000 2.734 154 R HA 0.615 4.955 4.340 0.000 0.000 0.271 154 R C -2.412 173.427 176.300 -0.768 0.000 1.021 154 R CA -1.007 54.635 56.100 -0.764 0.000 0.893 154 R CB 1.553 31.074 30.300 -1.298 0.000 1.244 154 R HN 0.725 nan 8.270 nan 0.000 0.464 155 Y N 0.274 120.259 120.300 -0.525 0.000 2.361 155 Y HA 0.424 4.975 4.550 0.000 0.000 0.332 155 Y C -0.143 175.241 175.900 -0.859 0.000 1.101 155 Y CA -0.632 57.084 58.100 -0.641 0.000 1.137 155 Y CB 1.944 40.083 38.460 -0.536 0.000 1.207 155 Y HN 0.453 nan 8.280 nan 0.000 0.463 156 E N 2.682 122.428 120.200 -0.756 0.000 2.248 156 E HA 0.433 4.783 4.350 0.000 0.000 0.267 156 E C -1.753 174.418 176.600 -0.715 0.000 0.877 156 E CA -0.782 55.236 56.400 -0.636 0.000 0.759 156 E CB 1.754 31.232 29.700 -0.370 0.000 1.182 156 E HN 0.422 nan 8.360 nan 0.000 0.418 157 F N 2.649 122.616 119.950 0.028 0.000 2.359 157 F HA 0.330 4.857 4.527 0.000 0.000 0.369 157 F C -2.252 173.574 175.800 0.043 0.000 1.084 157 F CA -2.417 55.616 58.000 0.056 0.000 1.096 157 F CB 0.971 40.069 39.000 0.164 0.000 1.335 157 F HN 0.153 nan 8.300 nan 0.000 0.457 158 P HA -0.028 nan 4.420 nan 0.000 0.269 158 P C -0.577 176.782 177.300 0.099 0.000 1.209 158 P CA -0.325 62.825 63.100 0.084 0.000 0.776 158 P CB 0.629 32.359 31.700 0.050 0.000 0.876 159 Q N 2.737 122.577 119.800 0.067 0.000 2.297 159 Q HA 0.115 4.456 4.340 0.000 0.000 0.267 159 Q C -0.510 175.520 176.000 0.049 0.000 1.006 159 Q CA 0.089 55.923 55.803 0.052 0.000 0.896 159 Q CB 0.200 28.955 28.738 0.028 0.000 1.186 159 Q HN 0.404 nan 8.270 nan 0.000 0.392 160 Q N 2.188 122.019 119.800 0.051 0.000 2.534 160 Q HA 0.204 4.544 4.340 0.000 0.000 0.290 160 Q C -0.386 175.642 176.000 0.046 0.000 0.991 160 Q CA -0.977 54.856 55.803 0.050 0.000 0.783 160 Q CB 0.902 29.678 28.738 0.064 0.000 1.470 160 Q HN 0.586 nan 8.270 nan 0.000 0.406 161 K N 0.627 121.054 120.400 0.044 0.000 2.089 161 K HA -0.131 4.190 4.320 0.000 0.000 0.210 161 K C 0.773 177.398 176.600 0.041 0.000 1.048 161 K CA 2.264 58.576 56.287 0.042 0.000 0.926 161 K CB -0.071 32.453 32.500 0.039 0.000 0.714 161 K HN 0.580 nan 8.250 nan 0.000 0.448 162 S N -0.036 115.686 115.700 0.038 0.000 2.597 162 S HA 0.157 4.628 4.470 0.000 0.000 0.224 162 S C -0.571 174.033 174.600 0.006 0.000 0.955 162 S CA -0.358 57.855 58.200 0.021 0.000 0.933 162 S CB 0.319 63.526 63.200 0.012 0.000 0.788 162 S HN 0.252 nan 8.310 nan 0.000 0.488 163 L N 1.734 122.971 121.223 0.023 0.000 2.617 163 L HA 0.514 4.854 4.340 0.000 0.000 0.259 163 L C -0.484 176.427 176.870 0.068 0.000 0.995 163 L CA 0.099 54.946 54.840 0.012 0.000 0.899 163 L CB 0.725 42.766 42.059 -0.031 0.000 1.181 163 L HN -0.125 nan 8.230 nan 0.000 0.437 164 N N 2.343 121.103 118.700 0.100 0.000 3.420 164 N HA 0.203 4.943 4.740 0.000 0.000 0.211 164 N C -0.795 174.701 175.510 -0.022 0.000 1.201 164 N CA 0.170 53.233 53.050 0.021 0.000 1.134 164 N CB 0.362 38.871 38.487 0.037 0.000 1.366 164 N HN 0.273 nan 8.380 nan 0.000 0.606 165 Y N 1.080 121.462 120.300 0.136 0.000 2.320 165 Y HA 0.419 4.970 4.550 0.000 0.000 0.334 165 Y C -0.402 175.595 175.900 0.163 0.000 1.055 165 Y CA -0.761 57.389 58.100 0.083 0.000 1.143 165 Y CB 0.701 39.186 38.460 0.041 0.000 1.193 165 Y HN 0.110 nan 8.280 nan 0.000 0.477 166 F N -0.014 119.944 119.950 0.013 0.000 2.693 166 F HA 0.820 5.348 4.527 0.000 0.000 0.309 166 F C -2.154 173.519 175.800 -0.211 0.000 1.129 166 F CA -1.557 56.382 58.000 -0.103 0.000 0.948 166 F CB 0.605 39.512 39.000 -0.156 0.000 1.315 166 F HN 0.075 nan 8.300 nan 0.000 0.447 167 V N 3.062 122.894 119.914 -0.137 0.000 2.495 167 V HA 0.449 4.570 4.120 0.000 0.000 0.298 167 V C -0.027 175.956 176.094 -0.185 0.000 1.031 167 V CA -0.803 61.249 62.300 -0.413 0.000 0.871 167 V CB 1.803 33.269 31.823 -0.594 0.000 0.988 167 V HN 0.731 nan 8.190 nan 0.000 0.432 168 I N 4.132 124.557 120.570 -0.241 0.000 2.371 168 I HA 0.254 4.424 4.170 0.000 0.000 0.290 168 I C 1.272 177.285 176.117 -0.173 0.000 1.028 168 I CA 0.027 61.242 61.300 -0.142 0.000 1.345 168 I CB 1.139 39.030 38.000 -0.181 0.000 1.407 168 I HN 0.735 nan 8.210 nan 0.000 0.501 169 K N 4.966 125.294 120.400 -0.121 0.000 2.078 169 K HA 0.123 4.443 4.320 0.000 0.000 0.203 169 K C 0.096 176.576 176.600 -0.200 0.000 1.043 169 K CA 1.013 57.222 56.287 -0.130 0.000 0.960 169 K CB 0.550 33.012 32.500 -0.063 0.000 0.761 169 K HN 0.542 nan 8.250 nan 0.000 0.448 170 E N 0.404 120.471 120.200 -0.222 0.000 2.375 170 E HA 0.086 4.437 4.350 0.000 0.000 0.280 170 E C -1.762 174.585 176.600 -0.421 0.000 0.972 170 E CA -0.492 55.674 56.400 -0.390 0.000 0.782 170 E CB 1.930 31.312 29.700 -0.531 0.000 1.229 170 E HN 0.246 nan 8.360 nan 0.000 0.439 171 E N 1.610 121.592 120.200 -0.365 0.000 2.216 171 E HA 0.234 4.584 4.350 0.000 0.000 0.279 171 E C -0.665 175.753 176.600 -0.303 0.000 0.997 171 E CA -0.386 55.894 56.400 -0.201 0.000 0.817 171 E CB 0.658 30.379 29.700 0.034 0.000 1.096 171 E HN 0.378 nan 8.360 nan 0.000 0.393 172 H N 2.620 121.759 119.070 0.115 0.000 2.412 172 H HA 0.239 4.795 4.556 0.000 0.000 0.239 172 H C -0.881 174.573 175.328 0.210 0.000 1.388 172 H CA -0.360 55.773 56.048 0.142 0.000 1.148 172 H CB 0.507 30.317 29.762 0.081 0.000 1.637 172 H HN 0.187 nan 8.280 nan 0.000 0.542 173 S N 1.896 117.800 115.700 0.340 0.000 2.439 173 S HA 0.211 4.681 4.470 0.000 0.000 0.282 173 S C 0.574 175.238 174.600 0.107 0.000 1.170 173 S CA -0.469 57.915 58.200 0.306 0.000 1.054 173 S CB 1.297 64.772 63.200 0.457 0.000 0.956 173 S HN 0.457 nan 8.310 nan 0.000 0.490 174 Q N 1.647 121.455 119.800 0.014 0.000 2.205 174 Q HA 0.516 4.856 4.340 0.000 0.000 0.249 174 Q C -1.282 174.544 176.000 -0.290 0.000 0.948 174 Q CA -0.390 55.412 55.803 -0.002 0.000 0.895 174 Q CB 1.183 29.975 28.738 0.090 0.000 1.249 174 Q HN 0.608 nan 8.270 nan 0.000 0.458 175 F N 0.030 120.212 119.950 0.386 0.000 2.824 175 F HA 0.309 4.837 4.527 0.000 0.000 0.375 175 F C 0.438 176.404 175.800 0.277 0.000 1.190 175 F CA -0.764 57.464 58.000 0.379 0.000 1.180 175 F CB 1.279 40.546 39.000 0.445 0.000 1.477 175 F HN 0.566 nan 8.300 nan 0.000 0.542 176 G N 3.995 112.933 108.800 0.230 0.000 2.358 176 G HA2 0.431 4.392 3.960 0.000 0.000 0.273 176 G HA3 0.431 4.392 3.960 0.000 0.000 0.273 176 G C 0.030 175.020 174.900 0.151 0.000 1.215 176 G CA -0.538 44.644 45.100 0.136 0.000 0.910 176 G HN 0.247 nan 8.290 nan 0.000 0.467 177 M N 1.790 121.460 119.600 0.115 0.000 2.255 177 M HA 0.137 4.617 4.480 0.000 0.000 0.336 177 M C 1.203 177.501 176.300 -0.004 0.000 1.135 177 M CA -0.355 54.992 55.300 0.079 0.000 1.145 177 M CB 1.141 33.687 32.600 -0.089 0.000 1.473 177 M HN 0.675 nan 8.290 nan 0.000 0.462 178 N N -0.229 118.508 118.700 0.063 0.000 2.322 178 N HA 0.158 4.898 4.740 0.000 0.000 0.194 178 N C 0.085 175.600 175.510 0.010 0.000 1.126 178 N CA -0.111 52.976 53.050 0.063 0.000 0.845 178 N CB 0.670 39.239 38.487 0.137 0.000 0.976 178 N HN 0.834 nan 8.380 nan 0.000 0.475 179 G N -0.215 108.469 108.800 -0.194 0.000 2.441 179 G HA2 -0.016 3.944 3.960 0.000 0.000 0.294 179 G HA3 -0.016 3.944 3.960 0.000 0.000 0.294 179 G C -1.851 172.806 174.900 -0.404 0.000 1.393 179 G CA -0.592 44.394 45.100 -0.190 0.000 0.796 179 G HN 0.061 nan 8.290 nan 0.000 0.494 180 D N 0.350 120.649 120.400 -0.168 0.000 2.619 180 D HA 0.255 4.895 4.640 0.000 0.000 0.224 180 D C 0.793 177.085 176.300 -0.014 0.000 1.133 180 D CA -0.114 53.808 54.000 -0.129 0.000 1.017 180 D CB -0.965 39.793 40.800 -0.069 0.000 1.077 180 D HN 0.411 nan 8.370 nan 0.000 0.503 181 H N 0.734 119.807 119.070 0.006 0.000 2.801 181 H HA 0.173 4.729 4.556 0.000 0.000 0.377 181 H C 0.664 175.986 175.328 -0.009 0.000 1.304 181 H CA -0.606 55.447 56.048 0.007 0.000 1.451 181 H CB 1.185 30.974 29.762 0.045 0.000 1.474 181 H HN 0.211 nan 8.280 nan 0.000 0.620 182 I N 1.075 121.708 120.570 0.104 0.000 2.365 182 I HA 0.333 4.504 4.170 0.000 0.000 0.291 182 I C 0.116 176.200 176.117 -0.056 0.000 1.004 182 I CA -0.289 60.986 61.300 -0.043 0.000 1.311 182 I CB 1.034 38.952 38.000 -0.138 0.000 1.401 182 I HN 0.567 nan 8.210 nan 0.000 0.491 183 A N 6.513 129.281 122.820 -0.086 0.000 2.380 183 A HA 0.807 5.127 4.320 0.000 0.000 0.315 183 A C -1.211 176.305 177.584 -0.113 0.000 1.101 183 A CA -0.412 51.662 52.037 0.063 0.000 0.771 183 A CB 0.869 20.029 19.000 0.266 0.000 1.287 183 A HN 0.538 nan 8.150 nan 0.000 0.436 184 F N 3.250 123.333 119.950 0.221 0.000 2.366 184 F HA 0.538 5.065 4.527 0.000 0.000 0.366 184 F C 0.028 176.053 175.800 0.374 0.000 1.096 184 F CA -0.295 57.777 58.000 0.120 0.000 1.060 184 F CB 0.964 39.890 39.000 -0.122 0.000 1.282 184 F HN 0.723 nan 8.300 nan 0.000 0.450 185 W N 4.841 126.359 121.300 0.363 0.000 3.029 185 W HA 0.852 5.513 4.660 0.000 0.000 0.339 185 W C -1.768 174.770 176.519 0.033 0.000 1.198 185 W CA -1.778 55.719 57.345 0.254 0.000 1.148 185 W CB 1.018 30.546 29.460 0.113 0.000 1.451 185 W HN 0.370 nan 8.180 nan 0.000 0.564 186 I N -1.102 119.555 120.570 0.143 0.000 2.785 186 I HA 0.585 4.756 4.170 0.000 0.000 0.302 186 I C -2.749 173.497 176.117 0.215 0.000 1.069 186 I CA -3.101 58.148 61.300 -0.084 0.000 1.045 186 I CB 2.026 39.871 38.000 -0.258 0.000 1.236 186 I HN -0.093 nan 8.210 nan 0.000 0.429 187 P HA 0.065 nan 4.420 nan 0.000 0.262 187 P C 0.170 177.436 177.300 -0.057 0.000 1.182 187 P CA 0.225 63.277 63.100 -0.081 0.000 0.761 187 P CB 0.399 31.808 31.700 -0.485 0.000 0.795 188 G N 2.738 111.394 108.800 -0.240 0.000 2.340 188 G HA2 0.251 4.211 3.960 0.000 0.000 0.245 188 G HA3 0.251 4.211 3.960 0.000 0.000 0.245 188 G C -0.592 174.114 174.900 -0.324 0.000 1.294 188 G CA 0.163 45.106 45.100 -0.261 0.000 0.896 188 G HN 0.492 nan 8.290 nan 0.000 0.522 189 D N 1.358 121.715 120.400 -0.071 0.000 2.886 189 D HA 0.109 4.749 4.640 0.000 0.000 0.216 189 D C -0.268 176.128 176.300 0.159 0.000 1.256 189 D CA -0.574 53.412 54.000 -0.023 0.000 0.844 189 D CB 1.289 42.228 40.800 0.232 0.000 1.669 189 D HN 0.240 nan 8.370 nan 0.000 0.513 190 Y N 0.890 121.249 120.300 0.098 0.000 2.546 190 Y HA 0.177 4.727 4.550 0.001 0.000 0.287 190 Y C 1.524 177.337 175.900 -0.146 0.000 1.158 190 Y CA 0.166 58.324 58.100 0.097 0.000 1.307 190 Y CB 0.332 38.625 38.460 -0.277 0.000 1.036 190 Y HN 0.330 nan 8.280 nan 0.000 0.532 191 D N -2.013 118.401 120.400 0.024 0.000 2.480 191 D HA 0.088 4.728 4.640 0.000 0.000 0.243 191 D C 0.328 176.469 176.300 -0.264 0.000 1.120 191 D CA 0.554 54.446 54.000 -0.179 0.000 0.835 191 D CB 1.151 42.036 40.800 0.143 0.000 1.204 191 D HN 0.113 nan 8.370 nan 0.000 0.513 192 T N -0.312 114.287 114.554 0.076 0.000 2.868 192 T HA 0.349 4.699 4.350 0.000 0.000 0.306 192 T C -1.030 173.755 174.700 0.142 0.000 1.224 192 T CA -0.289 61.851 62.100 0.066 0.000 1.012 192 T CB 1.830 70.591 68.868 -0.179 0.000 1.221 192 T HN -0.295 nan 8.240 nan 0.000 0.499 193 Q N 0.849 120.677 119.800 0.048 0.000 2.093 193 Q HA 0.298 4.639 4.340 0.000 0.000 0.217 193 Q C 0.132 176.056 176.000 -0.127 0.000 0.785 193 Q CA -0.151 55.669 55.803 0.027 0.000 1.038 193 Q CB 0.883 29.674 28.738 0.088 0.000 1.190 193 Q HN 0.667 nan 8.270 nan 0.000 0.468 194 E N 0.666 120.679 120.200 -0.311 0.000 2.424 194 E HA 0.042 4.392 4.350 0.000 0.000 0.237 194 E C -0.877 175.388 176.600 -0.558 0.000 1.381 194 E CA -0.011 56.154 56.400 -0.392 0.000 1.587 194 E CB -0.002 29.498 29.700 -0.332 0.000 1.398 194 E HN 0.251 nan 8.360 nan 0.000 0.439 195 Y N 0.274 120.451 120.300 -0.206 0.000 2.419 195 Y HA 0.182 4.733 4.550 0.000 0.000 0.328 195 Y C 0.927 176.678 175.900 -0.249 0.000 1.162 195 Y CA -1.310 56.654 58.100 -0.227 0.000 1.174 195 Y CB 0.744 39.088 38.460 -0.193 0.000 1.228 195 Y HN -0.045 nan 8.280 nan 0.000 0.473 196 D N 0.532 120.911 120.400 -0.034 0.000 2.339 196 D HA 0.059 4.700 4.640 0.000 0.000 0.245 196 D C -0.750 175.515 176.300 -0.058 0.000 1.115 196 D CA 0.171 54.142 54.000 -0.049 0.000 0.917 196 D CB 0.594 41.355 40.800 -0.066 0.000 1.192 196 D HN 0.403 nan 8.370 nan 0.000 0.428 197 Y N 0.140 120.515 120.300 0.125 0.000 2.314 197 Y HA 0.170 4.720 4.550 0.000 0.000 0.334 197 Y C 1.077 176.907 175.900 -0.117 0.000 1.266 197 Y CA 0.236 58.343 58.100 0.011 0.000 1.391 197 Y CB 1.049 39.587 38.460 0.130 0.000 1.306 197 Y HN 0.044 nan 8.280 nan 0.000 0.558 198 T N 4.016 118.340 114.554 -0.382 0.000 2.841 198 T HA 0.559 4.909 4.350 0.000 0.000 0.283 198 T C -0.687 173.730 174.700 -0.473 0.000 1.000 198 T CA -0.644 61.133 62.100 -0.538 0.000 0.977 198 T CB 0.669 68.837 68.868 -1.167 0.000 0.979 198 T HN 0.324 nan 8.240 nan 0.000 0.446 199 I N 3.556 123.983 120.570 -0.238 0.000 2.354 199 I HA 0.558 4.728 4.170 0.000 0.000 0.286 199 I C 0.248 176.293 176.117 -0.120 0.000 1.007 199 I CA -0.322 60.787 61.300 -0.319 0.000 1.167 199 I CB 1.064 38.825 38.000 -0.398 0.000 1.320 199 I HN 0.752 nan 8.210 nan 0.000 0.458 200 S N 5.776 121.474 115.700 -0.003 0.000 2.636 200 S HA 0.580 5.050 4.470 0.000 0.000 0.268 200 S C -0.773 173.863 174.600 0.061 0.000 1.159 200 S CA -1.248 57.004 58.200 0.087 0.000 0.815 200 S CB 1.924 65.272 63.200 0.247 0.000 1.130 200 S HN 0.378 nan 8.310 nan 0.000 0.471 201 R N 0.454 120.975 120.500 0.035 0.000 2.679 201 R HA 0.371 4.711 4.340 0.000 0.000 0.269 201 R C 1.339 177.632 176.300 -0.011 0.000 1.076 201 R CA -0.441 55.664 56.100 0.009 0.000 1.160 201 R CB -0.212 30.085 30.300 -0.005 0.000 1.054 201 R HN 0.767 nan 8.270 nan 0.000 0.507 202 L N 0.856 122.056 121.223 -0.038 0.000 2.131 202 L HA -0.214 4.126 4.340 0.000 0.000 0.210 202 L C 2.179 178.958 176.870 -0.151 0.000 1.092 202 L CA 1.812 56.586 54.840 -0.110 0.000 0.759 202 L CB -0.501 41.477 42.059 -0.135 0.000 0.903 202 L HN 0.669 nan 8.230 nan 0.000 0.435 203 S N -1.109 114.527 115.700 -0.107 0.000 2.515 203 S HA -0.105 4.366 4.470 0.000 0.000 0.231 203 S C 1.423 175.976 174.600 -0.077 0.000 0.987 203 S CA 0.604 58.745 58.200 -0.098 0.000 0.936 203 S CB -0.178 62.979 63.200 -0.071 0.000 0.766 203 S HN 0.533 nan 8.310 nan 0.000 0.528 204 E N 0.490 120.656 120.200 -0.056 0.000 2.476 204 E HA 0.289 4.639 4.350 0.000 0.000 0.199 204 E C 1.429 178.019 176.600 -0.017 0.000 1.021 204 E CA -0.062 56.330 56.400 -0.014 0.000 0.907 204 E CB -0.085 29.637 29.700 0.037 0.000 0.974 204 E HN 0.518 nan 8.360 nan 0.000 0.489 205 I N 1.407 121.890 120.570 -0.144 0.000 2.163 205 I HA -0.324 3.846 4.170 0.000 0.000 0.243 205 I C 2.718 178.690 176.117 -0.242 0.000 1.085 205 I CA 1.266 62.351 61.300 -0.358 0.000 1.347 205 I CB -0.265 37.273 38.000 -0.770 0.000 1.044 205 I HN 0.077 nan 8.210 nan 0.000 0.408 206 R N 1.144 121.526 120.500 -0.196 0.000 2.096 206 R HA -0.184 4.156 4.340 0.000 0.000 0.240 206 R C 2.241 178.498 176.300 -0.071 0.000 1.139 206 R CA 1.964 57.980 56.100 -0.141 0.000 0.952 206 R CB -0.594 29.636 30.300 -0.117 0.000 0.854 206 R HN 0.438 nan 8.270 nan 0.000 0.436 207 G N -0.080 108.698 108.800 -0.036 0.000 2.534 207 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 207 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 207 G C 1.246 176.166 174.900 0.033 0.000 1.128 207 G CA 0.191 45.289 45.100 -0.004 0.000 0.784 207 G HN 0.269 nan 8.290 nan 0.000 0.542 208 L N -0.644 120.629 121.223 0.083 0.000 2.590 208 L HA 0.277 4.617 4.340 0.000 0.000 0.227 208 L C 2.444 179.430 176.870 0.193 0.000 1.099 208 L CA -0.163 54.773 54.840 0.160 0.000 0.872 208 L CB -0.021 42.213 42.059 0.292 0.000 1.088 208 L HN 0.141 nan 8.230 nan 0.000 0.479 209 M N 0.927 120.611 119.600 0.141 0.000 2.082 209 M HA -0.262 4.218 4.480 0.000 0.000 0.258 209 M C 2.219 178.520 176.300 0.002 0.000 1.069 209 M CA 1.936 57.290 55.300 0.091 0.000 1.102 209 M CB -0.359 32.202 32.600 -0.065 0.000 1.336 209 M HN 0.045 nan 8.290 nan 0.000 0.404 210 K N -0.572 119.818 120.400 -0.016 0.000 2.044 210 K HA -0.212 4.109 4.320 0.000 0.000 0.210 210 K C 1.716 178.299 176.600 -0.027 0.000 1.049 210 K CA 1.768 58.038 56.287 -0.030 0.000 0.927 210 K CB -0.161 32.327 32.500 -0.019 0.000 0.713 210 K HN 0.327 nan 8.250 nan 0.000 0.443 211 E N -0.197 119.997 120.200 -0.010 0.000 2.285 211 E HA -0.076 4.274 4.350 0.000 0.000 0.194 211 E C 1.698 178.270 176.600 -0.048 0.000 0.997 211 E CA 0.831 57.222 56.400 -0.015 0.000 0.845 211 E CB 0.085 29.786 29.700 0.000 0.000 0.782 211 E HN 0.433 nan 8.360 nan 0.000 0.491 212 A N 0.842 123.619 122.820 -0.071 0.000 2.067 212 A HA 0.005 4.325 4.320 0.000 0.000 0.217 212 A C 1.430 178.838 177.584 -0.294 0.000 1.156 212 A CA 0.189 52.118 52.037 -0.179 0.000 0.683 212 A CB -0.164 18.724 19.000 -0.187 0.000 0.808 212 A HN 0.100 nan 8.150 nan 0.000 0.455 213 I N 2.664 123.084 120.570 -0.250 0.000 2.260 213 I HA 0.101 4.271 4.170 0.000 0.000 0.297 213 I C 0.477 176.570 176.117 -0.039 0.000 1.143 213 I CA -0.326 60.789 61.300 -0.310 0.000 1.271 213 I CB 0.420 38.288 38.000 -0.221 0.000 1.461 213 I HN 0.236 nan 8.210 nan 0.000 0.530 214 T N 3.553 118.172 114.554 0.109 0.000 2.874 214 T HA 0.445 4.795 4.350 0.000 0.000 0.281 214 T C -2.436 172.403 174.700 0.230 0.000 0.994 214 T CA -2.040 60.162 62.100 0.169 0.000 1.015 214 T CB 0.968 69.944 68.868 0.179 0.000 1.028 214 T HN 0.133 nan 8.240 nan 0.000 0.523 215 P HA 0.260 nan 4.420 nan 0.000 0.268 215 P C -0.448 176.946 177.300 0.156 0.000 1.205 215 P CA -0.198 62.985 63.100 0.138 0.000 0.771 215 P CB 0.332 32.092 31.700 0.100 0.000 0.858 216 N N 0.443 119.219 118.700 0.126 0.000 2.484 216 N HA 0.062 4.803 4.740 0.000 0.000 0.269 216 N C 0.881 176.440 175.510 0.082 0.000 1.237 216 N CA -0.306 52.812 53.050 0.115 0.000 0.838 216 N CB 1.595 40.106 38.487 0.039 0.000 1.593 216 N HN 0.239 nan 8.380 nan 0.000 0.485 217 S N 0.688 116.439 115.700 0.085 0.000 2.402 217 S HA -0.080 4.390 4.470 0.000 0.000 0.233 217 S C 0.794 175.375 174.600 -0.032 0.000 1.030 217 S CA 0.885 59.075 58.200 -0.017 0.000 1.003 217 S CB -0.107 63.035 63.200 -0.096 0.000 0.813 217 S HN 0.479 nan 8.310 nan 0.000 0.477 218 S N 1.256 116.968 115.700 0.020 0.000 2.720 218 S HA 0.498 4.968 4.470 0.000 0.000 0.278 218 S C -1.455 173.174 174.600 0.049 0.000 1.172 218 S CA -0.809 57.426 58.200 0.057 0.000 1.019 218 S CB 1.063 64.347 63.200 0.140 0.000 1.049 218 S HN 0.645 nan 8.310 nan 0.000 0.483 219 Q N 1.929 121.781 119.800 0.086 0.000 2.352 219 Q HA 0.588 4.929 4.340 0.000 0.000 0.270 219 Q C -1.673 174.389 176.000 0.105 0.000 1.006 219 Q CA -1.044 54.817 55.803 0.097 0.000 0.880 219 Q CB 1.668 30.481 28.738 0.125 0.000 1.392 219 Q HN 0.373 nan 8.270 nan 0.000 0.401 220 T N 2.790 117.384 114.554 0.066 0.000 3.135 220 T HA 0.386 4.736 4.350 0.000 0.000 0.357 220 T C -2.733 171.827 174.700 -0.234 0.000 1.112 220 T CA -0.981 61.108 62.100 -0.018 0.000 1.290 220 T CB 1.027 69.927 68.868 0.053 0.000 1.018 220 T HN 0.380 nan 8.240 nan 0.000 0.527 221 P HA 0.293 nan 4.420 nan 0.000 0.272 221 P C 0.152 177.216 177.300 -0.394 0.000 1.230 221 P CA -0.511 62.387 63.100 -0.335 0.000 0.788 221 P CB 0.413 31.963 31.700 -0.251 0.000 0.949 222 F N -1.585 118.051 119.950 -0.523 0.000 2.831 222 F HA 0.513 5.041 4.527 0.001 0.000 0.334 222 F C 0.182 175.715 175.800 -0.444 0.000 1.071 222 F CA -0.336 57.371 58.000 -0.488 0.000 1.172 222 F CB 0.195 38.803 39.000 -0.652 0.000 1.054 222 F HN 0.224 nan 8.300 nan 0.000 0.572 223 S N 0.208 115.426 115.700 -0.803 0.000 2.537 223 S HA 0.193 4.664 4.470 0.000 0.000 0.271 223 S C 0.018 174.348 174.600 -0.451 0.000 1.148 223 S CA -0.412 57.474 58.200 -0.524 0.000 0.868 223 S CB 1.713 64.589 63.200 -0.540 0.000 1.115 223 S HN 0.341 nan 8.310 nan 0.000 0.461 224 Q N 1.401 121.038 119.800 -0.271 0.000 2.364 224 Q HA -0.013 4.327 4.340 0.000 0.000 0.207 224 Q C 0.846 176.687 176.000 -0.265 0.000 0.970 224 Q CA 1.739 57.407 55.803 -0.225 0.000 0.888 224 Q CB -0.052 28.601 28.738 -0.142 0.000 0.951 224 Q HN 0.795 nan 8.270 nan 0.000 0.469 225 T N -3.667 110.715 114.554 -0.287 0.000 3.339 225 T HA 0.424 4.775 4.350 0.000 0.000 0.292 225 T C 0.210 174.744 174.700 -0.277 0.000 1.012 225 T CA -0.171 61.757 62.100 -0.287 0.000 0.937 225 T CB 0.817 69.564 68.868 -0.203 0.000 1.164 225 T HN 0.172 nan 8.240 nan 0.000 0.509 226 G N 1.449 109.978 108.800 -0.451 0.000 2.356 226 G HA2 0.609 4.570 3.960 0.000 0.000 0.298 226 G HA3 0.609 4.570 3.960 0.000 0.000 0.298 226 G C -0.362 174.328 174.900 -0.351 0.000 1.145 226 G CA -0.487 44.303 45.100 -0.516 0.000 0.850 226 G HN 0.853 nan 8.290 nan 0.000 0.487 227 V N -0.116 119.792 119.914 -0.011 0.000 3.130 227 V HA 0.686 4.806 4.120 0.000 0.000 0.310 227 V C -0.518 175.733 176.094 0.261 0.000 1.158 227 V CA -1.255 61.107 62.300 0.104 0.000 1.029 227 V CB 1.633 33.529 31.823 0.123 0.000 1.057 227 V HN 0.724 nan 8.190 nan 0.000 0.436 228 Q N 0.881 120.849 119.800 0.280 0.000 2.205 228 Q HA 0.617 4.958 4.340 0.000 0.000 0.249 228 Q C -0.143 175.992 176.000 0.226 0.000 0.948 228 Q CA -0.389 55.624 55.803 0.349 0.000 0.895 228 Q CB 1.938 30.884 28.738 0.345 0.000 1.249 228 Q HN 1.040 nan 8.270 nan 0.000 0.458 229 T N -2.196 112.480 114.554 0.203 0.000 2.929 229 T HA 0.669 5.019 4.350 0.000 0.000 0.284 229 T C -0.281 174.477 174.700 0.098 0.000 1.014 229 T CA -0.831 61.352 62.100 0.138 0.000 1.051 229 T CB 1.277 70.267 68.868 0.204 0.000 1.028 229 T HN 0.606 nan 8.240 nan 0.000 0.485 230 A N 2.796 125.491 122.820 -0.209 0.000 2.454 230 A HA 0.554 4.875 4.320 0.000 0.000 0.260 230 A C -0.126 177.409 177.584 -0.083 0.000 1.106 230 A CA -0.647 51.151 52.037 -0.398 0.000 0.780 230 A CB -0.305 18.299 19.000 -0.661 0.000 1.044 230 A HN 0.950 nan 8.150 nan 0.000 0.498 231 L N 3.293 124.481 121.223 -0.058 0.000 2.295 231 L HA 0.758 5.098 4.340 0.000 0.000 0.285 231 L C -0.354 176.520 176.870 0.007 0.000 1.035 231 L CA -0.425 54.416 54.840 0.001 0.000 0.806 231 L CB 1.452 43.424 42.059 -0.145 0.000 1.214 231 L HN 0.760 nan 8.230 nan 0.000 0.426 232 M N 5.923 125.587 119.600 0.108 0.000 2.364 232 M HA 0.684 5.164 4.480 0.000 0.000 0.334 232 M C -1.254 175.213 176.300 0.279 0.000 1.107 232 M CA 0.036 55.395 55.300 0.099 0.000 0.988 232 M CB 1.438 34.008 32.600 -0.050 0.000 1.673 232 M HN 0.670 nan 8.290 nan 0.000 0.441 233 M N 3.100 122.819 119.600 0.198 0.000 2.575 233 M HA 0.498 4.978 4.480 0.000 0.000 0.284 233 M C -1.270 175.092 176.300 0.103 0.000 1.253 233 M CA -0.813 54.621 55.300 0.223 0.000 0.861 233 M CB 2.820 35.533 32.600 0.188 0.000 1.733 233 M HN 0.586 nan 8.290 nan 0.000 0.462 234 K N 1.493 121.916 120.400 0.039 0.000 2.507 234 K HA 0.530 4.850 4.320 0.000 0.000 0.252 234 K C -0.966 175.470 176.600 -0.273 0.000 0.943 234 K CA -0.377 55.778 56.287 -0.219 0.000 0.808 234 K CB 1.763 34.204 32.500 -0.099 0.000 1.142 234 K HN 0.814 nan 8.250 nan 0.000 0.426 235 T N 0.081 114.370 114.554 -0.441 0.000 2.918 235 T HA 0.196 4.547 4.350 0.000 0.000 0.283 235 T C 0.646 175.234 174.700 -0.187 0.000 1.001 235 T CA -0.570 61.302 62.100 -0.380 0.000 1.041 235 T CB 1.106 69.659 68.868 -0.524 0.000 1.028 235 T HN 0.476 nan 8.240 nan 0.000 0.511 236 D N 0.762 121.130 120.400 -0.053 0.000 2.264 236 D HA -0.065 4.575 4.640 0.000 0.000 0.208 236 D C 1.178 177.456 176.300 -0.036 0.000 0.966 236 D CA 1.001 54.984 54.000 -0.028 0.000 0.864 236 D CB -0.090 40.722 40.800 0.019 0.000 0.933 236 D HN 0.838 nan 8.370 nan 0.000 0.499 237 D N -0.708 119.668 120.400 -0.041 0.000 2.538 237 D HA 0.175 4.815 4.640 0.000 0.000 0.234 237 D C 1.168 177.444 176.300 -0.041 0.000 1.191 237 D CA -0.050 53.937 54.000 -0.021 0.000 0.828 237 D CB -0.347 40.460 40.800 0.012 0.000 0.981 237 D HN 0.124 nan 8.370 nan 0.000 0.490 238 G N 0.349 109.089 108.800 -0.101 0.000 2.160 238 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 238 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 238 G C -0.086 174.700 174.900 -0.190 0.000 1.008 238 G CA 0.295 45.319 45.100 -0.127 0.000 0.724 238 G HN 0.444 nan 8.290 nan 0.000 0.514 239 L N -1.136 119.912 121.223 -0.292 0.000 2.330 239 L HA 0.728 5.068 4.340 0.000 0.000 0.271 239 L C -0.206 176.340 176.870 -0.539 0.000 1.013 239 L CA -1.437 53.230 54.840 -0.289 0.000 0.816 239 L CB 1.501 43.455 42.059 -0.175 0.000 1.287 239 L HN 0.055 nan 8.230 nan 0.000 0.435 240 Y N 2.082 122.278 120.300 -0.173 0.000 2.328 240 Y HA 0.566 5.117 4.550 0.000 0.000 0.336 240 Y C -0.175 175.626 175.900 -0.164 0.000 0.960 240 Y CA -0.400 57.596 58.100 -0.173 0.000 1.134 240 Y CB 1.609 39.961 38.460 -0.181 0.000 1.166 240 Y HN 0.271 nan 8.280 nan 0.000 0.464 241 I N 3.815 124.374 120.570 -0.017 0.000 2.465 241 I HA 0.327 4.497 4.170 0.000 0.000 0.291 241 I C -0.771 175.351 176.117 0.009 0.000 1.014 241 I CA -0.822 60.472 61.300 -0.010 0.000 1.093 241 I CB 1.826 39.829 38.000 0.005 0.000 1.267 241 I HN 0.576 nan 8.210 nan 0.000 0.431 242 N N 7.655 126.351 118.700 -0.007 0.000 2.354 242 N HA 0.504 5.245 4.740 0.000 0.000 0.287 242 N C -1.692 173.789 175.510 -0.049 0.000 1.016 242 N CA -0.420 52.613 53.050 -0.029 0.000 0.871 242 N CB 1.844 40.309 38.487 -0.036 0.000 1.299 242 N HN 0.538 nan 8.380 nan 0.000 0.482 243 L N 3.193 124.351 121.223 -0.108 0.000 2.313 243 L HA 0.468 4.808 4.340 0.000 0.000 0.283 243 L C -0.291 176.524 176.870 -0.093 0.000 1.013 243 L CA -0.595 54.120 54.840 -0.208 0.000 0.816 243 L CB 1.377 43.171 42.059 -0.440 0.000 1.236 243 L HN 0.640 nan 8.230 nan 0.000 0.419 244 H N 1.823 120.773 119.070 -0.200 0.000 3.054 244 H HA 0.512 5.068 4.556 0.001 0.000 0.271 244 H C -1.598 173.673 175.328 -0.095 0.000 1.551 244 H CA -0.750 55.226 56.048 -0.119 0.000 1.196 244 H CB 1.607 31.321 29.762 -0.080 0.000 1.867 244 H HN 0.648 nan 8.280 nan 0.000 0.637 245 E N 0.643 120.540 120.200 -0.505 0.000 2.416 245 E HA 0.784 5.134 4.350 0.000 0.000 0.273 245 E C -1.639 174.704 176.600 -0.429 0.000 0.935 245 E CA -1.463 54.732 56.400 -0.341 0.000 0.784 245 E CB 2.890 32.475 29.700 -0.191 0.000 1.301 245 E HN 0.656 nan 8.360 nan 0.000 0.454 246 A N 0.855 123.576 122.820 -0.164 0.000 2.449 246 A HA 0.730 5.050 4.320 0.000 0.000 0.302 246 A C -0.153 177.452 177.584 0.034 0.000 1.048 246 A CA -0.357 51.623 52.037 -0.095 0.000 0.708 246 A CB 1.396 20.333 19.000 -0.106 0.000 1.274 246 A HN 1.825 nan 8.150 nan 0.000 0.410 247 A N 0.355 123.189 122.820 0.024 0.000 2.734 247 A HA -0.083 4.237 4.320 0.000 0.000 0.296 247 A C 0.001 177.618 177.584 0.055 0.000 1.474 247 A CA 0.658 52.735 52.037 0.067 0.000 0.735 247 A CB -2.207 16.875 19.000 0.137 0.000 1.062 247 A HN 2.115 nan 8.150 nan 0.000 0.463 248 L N 0.918 122.171 121.223 0.051 0.000 2.448 248 L HA 0.541 4.881 4.340 0.000 0.000 0.278 248 L C -0.136 176.808 176.870 0.124 0.000 1.201 248 L CA 0.368 55.257 54.840 0.082 0.000 1.036 248 L CB 0.388 42.500 42.059 0.088 0.000 1.325 248 L HN 0.490 nan 8.230 nan 0.000 0.441 249 V N 3.734 123.718 119.914 0.117 0.000 2.709 249 V HA 0.382 4.503 4.120 0.000 0.000 0.308 249 V C -0.372 175.808 176.094 0.144 0.000 1.062 249 V CA -0.948 61.428 62.300 0.127 0.000 0.901 249 V CB 1.798 33.687 31.823 0.110 0.000 1.003 249 V HN 0.612 nan 8.190 nan 0.000 0.425 250 D N 2.476 122.959 120.400 0.137 0.000 2.697 250 D HA -0.229 4.411 4.640 0.000 0.000 0.235 250 D C -0.814 175.631 176.300 0.241 0.000 1.167 250 D CA 1.367 55.448 54.000 0.135 0.000 0.656 250 D CB -0.684 40.175 40.800 0.099 0.000 1.025 250 D HN 0.592 nan 8.370 nan 0.000 0.419 251 Y N -1.106 119.225 120.300 0.052 0.000 2.702 251 Y HA 0.313 4.863 4.550 0.000 0.000 0.336 251 Y C -0.669 175.277 175.900 0.078 0.000 1.203 251 Y CA -0.734 57.397 58.100 0.051 0.000 1.072 251 Y CB 1.276 39.766 38.460 0.049 0.000 1.327 251 Y HN -0.128 nan 8.280 nan 0.000 0.456 252 S N 1.519 117.138 115.700 -0.135 0.000 2.586 252 S HA 0.330 4.800 4.470 0.000 0.000 0.274 252 S C -0.325 174.359 174.600 0.140 0.000 1.281 252 S CA -0.478 57.722 58.200 -0.001 0.000 1.035 252 S CB 0.312 63.437 63.200 -0.126 0.000 0.962 252 S HN 0.826 nan 8.310 nan 0.000 0.512 253 C N 6.929 126.334 119.300 0.175 0.000 2.642 253 C HA 0.292 4.753 4.460 0.000 0.000 0.420 253 C C 0.556 175.548 174.990 0.004 0.000 1.349 253 C CA -0.302 58.784 59.018 0.113 0.000 1.821 253 C CB -1.193 26.628 27.740 0.135 0.000 2.637 253 C HN 0.897 nan 8.230 nan 0.000 0.605 254 M N 5.626 125.216 119.600 -0.017 0.000 2.209 254 M HA 0.405 4.885 4.480 0.000 0.000 0.355 254 M C -0.641 175.588 176.300 -0.118 0.000 1.171 254 M CA 0.128 55.445 55.300 0.028 0.000 1.069 254 M CB 0.451 33.142 32.600 0.151 0.000 1.622 254 M HN 0.933 nan 8.290 nan 0.000 0.459 255 H N 3.043 122.313 119.070 0.333 0.000 2.771 255 H HA 0.704 5.260 4.556 0.000 0.000 0.344 255 H C -1.234 174.334 175.328 0.400 0.000 1.260 255 H CA -0.692 55.582 56.048 0.377 0.000 1.276 255 H CB 1.576 31.631 29.762 0.488 0.000 1.881 255 H HN 0.592 nan 8.280 nan 0.000 0.615 256 L N 1.118 122.673 121.223 0.553 0.000 2.385 256 L HA 0.367 4.707 4.340 0.000 0.000 0.273 256 L C -0.691 176.523 176.870 0.574 0.000 0.990 256 L CA -0.798 54.344 54.840 0.503 0.000 0.821 256 L CB 1.709 43.921 42.059 0.255 0.000 1.279 256 L HN 0.541 nan 8.230 nan 0.000 0.412 257 N N 2.707 121.765 118.700 0.596 0.000 2.392 257 N HA 0.461 5.201 4.740 0.000 0.000 0.283 257 N C -1.299 174.426 175.510 0.358 0.000 1.003 257 N CA -0.474 52.842 53.050 0.444 0.000 0.892 257 N CB 1.586 40.371 38.487 0.496 0.000 1.193 257 N HN 0.407 nan 8.380 nan 0.000 0.487 258 L N 2.719 124.032 121.223 0.151 0.000 2.292 258 L HA 0.432 4.773 4.340 0.000 0.000 0.284 258 L C -0.439 176.356 176.870 -0.126 0.000 1.065 258 L CA -0.319 54.435 54.840 -0.143 0.000 0.806 258 L CB 0.882 42.703 42.059 -0.396 0.000 1.175 258 L HN 0.527 nan 8.230 nan 0.000 0.431 259 D N 3.411 123.728 120.400 -0.138 0.000 2.441 259 D HA 0.073 4.713 4.640 0.000 0.000 0.221 259 D C 0.015 176.217 176.300 -0.164 0.000 1.156 259 D CA -0.287 53.661 54.000 -0.087 0.000 0.896 259 D CB 0.798 41.575 40.800 -0.038 0.000 1.028 259 D HN 0.664 nan 8.370 nan 0.000 0.509 260 D N 2.576 122.881 120.400 -0.158 0.000 2.323 260 D HA -0.038 4.602 4.640 0.000 0.000 0.239 260 D C 0.728 176.953 176.300 -0.125 0.000 1.129 260 D CA 0.180 54.075 54.000 -0.174 0.000 0.865 260 D CB 0.230 40.927 40.800 -0.172 0.000 0.913 260 D HN 0.356 nan 8.370 nan 0.000 0.517 261 K N -0.399 119.942 120.400 -0.098 0.000 2.287 261 K HA 0.160 4.481 4.320 0.000 0.000 0.199 261 K C 0.907 177.463 176.600 -0.074 0.000 1.061 261 K CA 0.116 56.359 56.287 -0.073 0.000 0.976 261 K CB 0.452 32.921 32.500 -0.051 0.000 0.898 261 K HN -0.012 nan 8.250 nan 0.000 0.492 262 N N 0.392 119.044 118.700 -0.081 0.000 2.184 262 N HA 0.103 4.844 4.740 0.000 0.000 0.206 262 N C -0.398 175.051 175.510 -0.101 0.000 1.151 262 N CA 0.168 53.174 53.050 -0.073 0.000 0.878 262 N CB 0.921 39.379 38.487 -0.049 0.000 1.014 262 N HN -0.020 nan 8.380 nan 0.000 0.512 263 M N 0.563 120.071 119.600 -0.154 0.000 2.298 263 M HA -0.140 4.341 4.480 0.000 0.000 0.196 263 M C -1.123 175.052 176.300 -0.208 0.000 0.531 263 M CA 0.435 55.598 55.300 -0.229 0.000 0.459 263 M CB -2.474 30.002 32.600 -0.208 0.000 1.279 263 M HN -0.235 nan 8.290 nan 0.000 0.915 264 V N 0.929 120.733 119.914 -0.185 0.000 2.444 264 V HA 0.560 4.680 4.120 0.000 0.000 0.294 264 V C 0.135 176.210 176.094 -0.033 0.000 1.022 264 V CA -0.660 61.612 62.300 -0.046 0.000 0.850 264 V CB 1.949 33.788 31.823 0.027 0.000 0.992 264 V HN 0.274 nan 8.190 nan 0.000 0.426 265 F N 2.821 122.917 119.950 0.243 0.000 2.385 265 F HA 0.591 5.118 4.527 0.000 0.000 0.336 265 F C 0.501 176.567 175.800 0.444 0.000 1.100 265 F CA -0.254 57.940 58.000 0.323 0.000 1.116 265 F CB 1.272 40.481 39.000 0.348 0.000 1.166 265 F HN 0.493 nan 8.300 nan 0.000 0.511 266 E N 0.614 121.205 120.200 0.651 0.000 2.314 266 E HA 0.368 4.718 4.350 0.000 0.000 0.272 266 E C -1.155 175.803 176.600 0.597 0.000 0.884 266 E CA -0.862 55.878 56.400 0.567 0.000 0.753 266 E CB 1.593 31.550 29.700 0.428 0.000 1.213 266 E HN 0.609 nan 8.360 nan 0.000 0.432 267 S N 3.542 119.579 115.700 0.560 0.000 2.546 267 S HA 0.012 4.482 4.470 0.000 0.000 0.290 267 S C -0.480 174.364 174.600 0.407 0.000 1.290 267 S CA -0.522 57.970 58.200 0.487 0.000 1.069 267 S CB 0.359 63.810 63.200 0.418 0.000 0.846 267 S HN 0.533 nan 8.310 nan 0.000 0.495 268 W N 5.798 127.212 121.300 0.190 0.000 2.521 268 W HA 0.404 5.064 4.660 0.001 0.000 0.310 268 W C -1.590 174.954 176.519 0.042 0.000 1.000 268 W CA -1.307 56.070 57.345 0.053 0.000 1.353 268 W CB 0.695 30.128 29.460 -0.045 0.000 1.276 268 W HN 0.690 nan 8.180 nan 0.000 0.417 269 L N 3.850 125.084 121.223 0.019 0.000 2.466 269 L HA 0.335 4.675 4.340 0.000 0.000 0.257 269 L C 1.067 177.967 176.870 0.051 0.000 1.189 269 L CA -0.082 54.786 54.840 0.047 0.000 0.813 269 L CB 0.525 42.525 42.059 -0.098 0.000 1.118 269 L HN 0.150 nan 8.230 nan 0.000 0.471 270 T N 2.627 117.224 114.554 0.072 0.000 2.761 270 T HA 0.251 4.601 4.350 0.000 0.000 0.296 270 T C -2.251 172.318 174.700 -0.220 0.000 0.934 270 T CA -0.934 61.101 62.100 -0.108 0.000 1.091 270 T CB 0.818 69.788 68.868 0.170 0.000 0.896 270 T HN 0.401 nan 8.240 nan 0.000 0.515 271 P HA 0.233 nan 4.420 nan 0.000 0.276 271 P C -0.616 176.668 177.300 -0.027 0.000 1.244 271 P CA -0.530 62.465 63.100 -0.176 0.000 0.801 271 P CB 0.855 32.462 31.700 -0.156 0.000 1.006 272 D N 0.652 121.043 120.400 -0.014 0.000 2.478 272 D HA 0.202 4.842 4.640 0.000 0.000 0.274 272 D C 1.327 177.591 176.300 -0.060 0.000 1.234 272 D CA -0.680 53.306 54.000 -0.023 0.000 1.069 272 D CB -0.491 40.299 40.800 -0.016 0.000 1.113 272 D HN 0.282 nan 8.370 nan 0.000 0.571 273 A N -0.810 121.925 122.820 -0.142 0.000 2.125 273 A HA -0.157 4.163 4.320 0.000 0.000 0.219 273 A C 1.708 179.242 177.584 -0.083 0.000 1.156 273 A CA 1.262 53.209 52.037 -0.149 0.000 0.671 273 A CB -0.608 18.261 19.000 -0.218 0.000 0.794 273 A HN 0.531 nan 8.150 nan 0.000 0.459 274 K N -2.083 118.282 120.400 -0.058 0.000 2.358 274 K HA 0.304 4.625 4.320 0.000 0.000 0.197 274 K C 0.983 177.579 176.600 -0.007 0.000 1.025 274 K CA 0.450 56.720 56.287 -0.028 0.000 1.104 274 K CB 0.381 32.870 32.500 -0.020 0.000 0.855 274 K HN 0.563 nan 8.250 nan 0.000 0.531 275 G N 1.692 110.490 108.800 -0.004 0.000 2.175 275 G HA2 -0.189 3.771 3.960 0.000 0.000 0.244 275 G HA3 -0.189 3.771 3.960 0.000 0.000 0.244 275 G C -0.332 174.541 174.900 -0.046 0.000 0.982 275 G CA -0.136 44.960 45.100 -0.006 0.000 0.641 275 G HN 0.251 nan 8.290 nan 0.000 0.527 276 D N 0.162 120.541 120.400 -0.036 0.000 2.329 276 D HA 0.469 5.109 4.640 0.000 0.000 0.246 276 D C 0.852 177.092 176.300 -0.100 0.000 1.111 276 D CA 0.039 53.994 54.000 -0.074 0.000 0.941 276 D CB 0.745 41.516 40.800 -0.048 0.000 1.169 276 D HN 0.277 nan 8.370 nan 0.000 0.441 277 K N 0.124 120.421 120.400 -0.171 0.000 3.045 277 K HA 0.462 4.782 4.320 0.000 0.000 0.211 277 K C -0.168 176.263 176.600 -0.281 0.000 1.141 277 K CA -0.530 55.632 56.287 -0.209 0.000 1.036 277 K CB 1.144 33.492 32.500 -0.252 0.000 0.851 277 K HN 0.611 nan 8.250 nan 0.000 0.462 278 G N 1.132 109.802 108.800 -0.218 0.000 2.873 278 G HA2 -0.099 3.861 3.960 0.000 0.000 0.507 278 G HA3 -0.099 3.861 3.960 0.000 0.000 0.507 278 G C -1.714 173.003 174.900 -0.305 0.000 1.440 278 G CA -1.044 43.903 45.100 -0.256 0.000 1.016 278 G HN 0.092 nan 8.290 nan 0.000 0.615 279 Y N 3.165 123.349 120.300 -0.193 0.000 2.367 279 Y HA 0.689 5.239 4.550 0.000 0.000 0.342 279 Y C 0.886 176.627 175.900 -0.265 0.000 0.979 279 Y CA -0.633 57.355 58.100 -0.187 0.000 1.161 279 Y CB 1.296 39.713 38.460 -0.072 0.000 1.155 279 Y HN 0.459 nan 8.280 nan 0.000 0.503 280 M N 3.168 122.481 119.600 -0.479 0.000 2.578 280 M HA 0.447 4.927 4.480 0.000 0.000 0.321 280 M C -0.828 175.162 176.300 -0.516 0.000 1.182 280 M CA -0.818 54.092 55.300 -0.649 0.000 0.965 280 M CB 2.045 33.759 32.600 -1.476 0.000 1.694 280 M HN 0.581 nan 8.290 nan 0.000 0.461 281 Q N 1.601 121.192 119.800 -0.350 0.000 2.275 281 Q HA 0.361 4.701 4.340 0.000 0.000 0.258 281 Q C -1.030 174.858 176.000 -0.186 0.000 0.960 281 Q CA -0.282 55.294 55.803 -0.379 0.000 0.801 281 Q CB 1.918 30.401 28.738 -0.425 0.000 1.302 281 Q HN 0.906 nan 8.270 nan 0.000 0.433 282 T N 1.613 116.113 114.554 -0.090 0.000 2.918 282 T HA 0.431 4.781 4.350 0.000 0.000 0.302 282 T C -2.133 172.553 174.700 -0.023 0.000 1.045 282 T CA -1.039 61.087 62.100 0.043 0.000 1.114 282 T CB 0.715 69.655 68.868 0.120 0.000 0.965 282 T HN 0.393 nan 8.240 nan 0.000 0.540 283 P HA 0.398 nan 4.420 nan 0.000 0.280 283 P C -0.422 176.928 177.300 0.083 0.000 1.244 283 P CA -0.512 62.630 63.100 0.069 0.000 0.784 283 P CB 0.226 31.950 31.700 0.041 0.000 0.913 284 C N 1.054 120.456 119.300 0.170 0.000 3.288 284 C HA 0.672 5.133 4.460 0.000 0.000 0.318 284 C C -0.954 174.181 174.990 0.243 0.000 1.356 284 C CA -0.896 58.229 59.018 0.178 0.000 1.359 284 C CB 1.008 28.846 27.740 0.163 0.000 1.688 284 C HN 0.612 nan 8.230 nan 0.000 0.467 285 N N -0.302 118.473 118.700 0.124 0.000 2.321 285 N HA 0.747 5.487 4.740 0.000 0.000 0.290 285 N C -0.593 174.877 175.510 -0.066 0.000 1.212 285 N CA -0.466 52.566 53.050 -0.030 0.000 0.767 285 N CB 2.284 40.650 38.487 -0.201 0.000 1.494 285 N HN 1.001 nan 8.380 nan 0.000 0.479 286 T N -1.902 112.536 114.554 -0.194 0.000 2.847 286 T HA 0.495 4.845 4.350 0.000 0.000 0.279 286 T C -2.584 171.793 174.700 -0.538 0.000 0.984 286 T CA -1.597 60.176 62.100 -0.544 0.000 0.988 286 T CB 1.276 69.938 68.868 -0.344 0.000 1.040 286 T HN 0.098 nan 8.240 nan 0.000 0.528 287 P HA 0.271 nan 4.420 nan 0.000 0.275 287 P C -0.784 176.325 177.300 -0.319 0.000 1.266 287 P CA -0.657 62.258 63.100 -0.309 0.000 0.793 287 P CB 0.334 31.927 31.700 -0.177 0.000 1.074 288 W N 0.448 121.606 121.300 -0.238 0.000 2.237 288 W HA 0.408 5.068 4.660 0.000 0.000 0.335 288 W C 0.506 176.817 176.519 -0.347 0.000 1.230 288 W CA 0.247 57.414 57.345 -0.296 0.000 1.253 288 W CB 0.300 29.607 29.460 -0.256 0.000 1.129 288 W HN 0.064 nan 8.180 nan 0.000 0.590 289 R N 1.123 121.431 120.500 -0.321 0.000 2.494 289 R HA 0.529 4.870 4.340 0.000 0.000 0.305 289 R C -0.292 175.802 176.300 -0.344 0.000 0.959 289 R CA -0.630 55.218 56.100 -0.420 0.000 0.864 289 R CB 1.268 31.103 30.300 -0.775 0.000 1.159 289 R HN 0.414 nan 8.270 nan 0.000 0.446 290 T N -0.358 114.119 114.554 -0.128 0.000 2.863 290 T HA 0.729 5.079 4.350 0.000 0.000 0.285 290 T C -0.165 174.559 174.700 0.040 0.000 1.009 290 T CA -0.778 61.306 62.100 -0.027 0.000 0.989 290 T CB 1.080 69.917 68.868 -0.050 0.000 1.004 290 T HN 0.330 nan 8.240 nan 0.000 0.455 291 I N 2.787 123.434 120.570 0.129 0.000 2.448 291 I HA 0.409 4.579 4.170 0.000 0.000 0.281 291 I C -0.558 175.617 176.117 0.097 0.000 1.027 291 I CA -0.633 60.758 61.300 0.151 0.000 1.111 291 I CB 1.301 39.491 38.000 0.317 0.000 1.236 291 I HN 0.598 nan 8.210 nan 0.000 0.452 292 I N 6.731 127.318 120.570 0.028 0.000 2.336 292 I HA 0.547 4.717 4.170 0.000 0.000 0.292 292 I C -0.492 175.605 176.117 -0.032 0.000 0.991 292 I CA -0.782 60.510 61.300 -0.013 0.000 1.227 292 I CB 1.766 39.734 38.000 -0.053 0.000 1.366 292 I HN 0.271 nan 8.210 nan 0.000 0.466 293 V N 5.506 125.375 119.914 -0.075 0.000 2.971 293 V HA 0.801 4.921 4.120 0.000 0.000 0.309 293 V C -0.943 174.916 176.094 -0.392 0.000 1.130 293 V CA 0.023 62.204 62.300 -0.198 0.000 0.964 293 V CB 2.439 34.136 31.823 -0.209 0.000 1.029 293 V HN 0.837 nan 8.190 nan 0.000 0.427 294 S N 2.435 117.867 115.700 -0.446 0.000 2.595 294 S HA 0.419 4.889 4.470 0.000 0.000 0.270 294 S C -0.897 173.613 174.600 -0.151 0.000 1.145 294 S CA 0.194 58.138 58.200 -0.426 0.000 0.825 294 S CB 1.860 64.995 63.200 -0.107 0.000 1.107 294 S HN 1.096 nan 8.310 nan 0.000 0.461 295 D N 0.708 121.165 120.400 0.095 0.000 2.340 295 D HA 0.247 4.887 4.640 0.000 0.000 0.217 295 D C -0.192 176.264 176.300 0.260 0.000 1.081 295 D CA 0.065 54.202 54.000 0.228 0.000 0.842 295 D CB 0.162 41.141 40.800 0.298 0.000 0.934 295 D HN 0.300 nan 8.370 nan 0.000 0.511 296 D N 0.105 120.605 120.400 0.166 0.000 2.542 296 D HA 0.398 5.039 4.640 0.000 0.000 0.252 296 D C 0.895 177.088 176.300 -0.178 0.000 1.222 296 D CA -0.634 53.387 54.000 0.036 0.000 0.895 296 D CB 1.839 42.659 40.800 0.034 0.000 1.207 296 D HN -0.043 nan 8.370 nan 0.000 0.558 297 A N 4.503 126.967 122.820 -0.593 0.000 1.978 297 A HA -0.205 4.115 4.320 0.000 0.000 0.220 297 A C 1.952 179.369 177.584 -0.278 0.000 1.170 297 A CA 1.227 52.772 52.037 -0.819 0.000 0.636 297 A CB -0.190 18.065 19.000 -1.242 0.000 0.810 297 A HN 0.659 nan 8.150 nan 0.000 0.448 298 R N -0.387 119.980 120.500 -0.221 0.000 2.120 298 R HA -0.109 4.232 4.340 0.000 0.000 0.234 298 R C 1.658 177.780 176.300 -0.296 0.000 1.123 298 R CA 1.527 57.495 56.100 -0.221 0.000 0.975 298 R CB -0.445 29.808 30.300 -0.079 0.000 0.866 298 R HN 0.703 nan 8.270 nan 0.000 0.446 299 N N 0.164 118.750 118.700 -0.189 0.000 2.459 299 N HA -0.059 4.681 4.740 0.000 0.000 0.181 299 N C 1.307 176.692 175.510 -0.208 0.000 1.046 299 N CA 0.230 53.184 53.050 -0.160 0.000 0.904 299 N CB 0.154 38.603 38.487 -0.064 0.000 0.964 299 N HN 0.100 nan 8.380 nan 0.000 0.444 300 I N 0.993 121.433 120.570 -0.218 0.000 2.286 300 I HA -0.163 4.007 4.170 0.000 0.000 0.245 300 I C 2.005 177.917 176.117 -0.342 0.000 1.104 300 I CA 1.091 62.279 61.300 -0.187 0.000 1.397 300 I CB -0.946 37.030 38.000 -0.040 0.000 1.072 300 I HN 0.202 nan 8.210 nan 0.000 0.417 301 L N 0.688 121.556 121.223 -0.592 0.000 2.141 301 L HA -0.104 4.236 4.340 0.000 0.000 0.209 301 L C 2.572 178.915 176.870 -0.878 0.000 1.094 301 L CA 1.140 55.440 54.840 -0.900 0.000 0.763 301 L CB -0.673 40.544 42.059 -1.405 0.000 0.908 301 L HN 0.158 nan 8.230 nan 0.000 0.437 302 A N -0.959 121.410 122.820 -0.752 0.000 2.167 302 A HA -0.027 4.293 4.320 0.000 0.000 0.214 302 A C 1.453 178.932 177.584 -0.175 0.000 1.151 302 A CA 0.250 52.096 52.037 -0.319 0.000 0.735 302 A CB -0.215 18.715 19.000 -0.118 0.000 0.802 302 A HN 0.284 nan 8.150 nan 0.000 0.467 303 S N 0.005 115.580 115.700 -0.210 0.000 2.562 303 S HA 0.251 4.721 4.470 0.000 0.000 0.281 303 S C 0.724 175.229 174.600 -0.159 0.000 1.333 303 S CA -0.329 57.772 58.200 -0.165 0.000 1.052 303 S CB 0.195 63.294 63.200 -0.169 0.000 0.884 303 S HN 0.393 nan 8.310 nan 0.000 0.506 304 R N 4.104 124.509 120.500 -0.159 0.000 2.629 304 R HA 0.300 4.640 4.340 0.000 0.000 0.386 304 R C 1.210 177.391 176.300 -0.200 0.000 1.071 304 R CA -0.128 55.893 56.100 -0.131 0.000 1.104 304 R CB -0.554 29.694 30.300 -0.087 0.000 1.370 304 R HN 0.682 nan 8.270 nan 0.000 0.574 305 I N 0.463 120.823 120.570 -0.351 0.000 2.208 305 I HA -0.293 3.877 4.170 0.000 0.000 0.245 305 I C 1.725 177.607 176.117 -0.392 0.000 1.097 305 I CA 1.660 62.596 61.300 -0.608 0.000 1.363 305 I CB -0.253 37.358 38.000 -0.648 0.000 1.051 305 I HN 0.084 nan 8.210 nan 0.000 0.413 306 T N 1.379 115.798 114.554 -0.225 0.000 2.652 306 T HA -0.177 4.173 4.350 0.000 0.000 0.267 306 T C 1.939 176.566 174.700 -0.122 0.000 1.039 306 T CA 1.395 63.406 62.100 -0.148 0.000 1.153 306 T CB -0.431 68.416 68.868 -0.036 0.000 0.863 306 T HN 0.248 nan 8.240 nan 0.000 0.428 307 L N 1.044 122.240 121.223 -0.045 0.000 2.056 307 L HA -0.083 4.257 4.340 0.000 0.000 0.207 307 L C 2.586 179.460 176.870 0.007 0.000 1.078 307 L CA 0.912 55.778 54.840 0.042 0.000 0.749 307 L CB -0.596 41.589 42.059 0.210 0.000 0.901 307 L HN 0.207 nan 8.230 nan 0.000 0.433 308 N N 0.202 118.911 118.700 0.015 0.000 2.289 308 N HA -0.113 4.627 4.740 0.000 0.000 0.184 308 N C 1.690 177.063 175.510 -0.228 0.000 1.016 308 N CA 1.109 54.160 53.050 0.001 0.000 0.872 308 N CB -0.088 38.449 38.487 0.084 0.000 0.973 308 N HN 0.356 nan 8.380 nan 0.000 0.433 309 L N -0.064 120.939 121.223 -0.368 0.000 2.591 309 L HA 0.099 4.440 4.340 0.000 0.000 0.228 309 L C 0.438 177.082 176.870 -0.376 0.000 1.133 309 L CA 0.081 54.542 54.840 -0.631 0.000 0.880 309 L CB -0.117 41.352 42.059 -0.983 0.000 1.033 309 L HN 0.037 nan 8.230 nan 0.000 0.450 310 N N 0.455 119.005 118.700 -0.249 0.000 2.508 310 N HA 0.133 4.873 4.740 0.000 0.000 0.285 310 N C -0.159 175.220 175.510 -0.219 0.000 1.144 310 N CA -0.483 52.469 53.050 -0.163 0.000 0.978 310 N CB 1.149 39.554 38.487 -0.136 0.000 1.180 310 N HN -0.007 nan 8.380 nan 0.000 0.484 311 E N 1.471 121.578 120.200 -0.156 0.000 2.415 311 E HA 0.166 4.516 4.350 0.000 0.000 0.262 311 E C -2.029 174.397 176.600 -0.290 0.000 1.038 311 E CA -1.368 54.920 56.400 -0.186 0.000 0.921 311 E CB -0.125 29.502 29.700 -0.121 0.000 0.950 311 E HN 0.292 nan 8.360 nan 0.000 0.438 312 P HA -0.076 nan 4.420 nan 0.000 0.269 312 P C 0.021 177.134 177.300 -0.310 0.000 1.217 312 P CA -0.256 62.626 63.100 -0.362 0.000 0.783 312 P CB 0.457 31.996 31.700 -0.269 0.000 0.898 313 C N 2.938 122.057 119.300 -0.302 0.000 2.378 313 C HA -0.063 4.397 4.460 0.000 0.000 0.395 313 C C 1.389 176.236 174.990 -0.239 0.000 1.476 313 C CA 0.673 59.532 59.018 -0.265 0.000 1.541 313 C CB -1.615 26.015 27.740 -0.183 0.000 2.524 313 C HN 0.517 nan 8.230 nan 0.000 0.595 314 K N 4.535 124.741 120.400 -0.323 0.000 2.373 314 K HA 0.289 4.609 4.320 0.000 0.000 0.202 314 K C -0.153 176.396 176.600 -0.085 0.000 1.025 314 K CA 0.243 56.390 56.287 -0.233 0.000 1.115 314 K CB 0.291 32.578 32.500 -0.355 0.000 0.858 314 K HN 0.677 nan 8.250 nan 0.000 0.525 315 I N 1.534 122.068 120.570 -0.059 0.000 2.361 315 I HA 0.130 4.301 4.170 0.000 0.000 0.282 315 I C 1.248 177.393 176.117 0.045 0.000 1.075 315 I CA -0.387 60.957 61.300 0.073 0.000 1.205 315 I CB 1.246 39.315 38.000 0.115 0.000 1.406 315 I HN 0.056 nan 8.210 nan 0.000 0.481 316 A N 4.970 127.826 122.820 0.061 0.000 1.903 316 A HA -0.242 4.078 4.320 0.000 0.000 0.219 316 A C 1.731 179.352 177.584 0.062 0.000 1.191 316 A CA 2.347 54.412 52.037 0.047 0.000 0.638 316 A CB -0.325 18.705 19.000 0.051 0.000 0.823 316 A HN 0.809 nan 8.150 nan 0.000 0.451 317 D N -0.879 119.601 120.400 0.134 0.000 2.358 317 D HA 0.436 5.077 4.640 0.000 0.000 0.224 317 D C 1.317 177.679 176.300 0.104 0.000 1.123 317 D CA 0.665 54.762 54.000 0.160 0.000 0.833 317 D CB -0.369 40.577 40.800 0.242 0.000 0.946 317 D HN 0.339 nan 8.370 nan 0.000 0.505 318 A N 1.488 124.273 122.820 -0.059 0.000 1.896 318 A HA -0.175 4.145 4.320 0.000 0.000 0.220 318 A C 2.436 179.776 177.584 -0.406 0.000 1.206 318 A CA 2.583 54.369 52.037 -0.419 0.000 0.647 318 A CB -1.110 17.719 19.000 -0.285 0.000 0.828 318 A HN 0.435 nan 8.150 nan 0.000 0.455 319 A N -0.087 122.632 122.820 -0.168 0.000 2.076 319 A HA -0.088 4.233 4.320 0.000 0.000 0.220 319 A C 2.378 179.929 177.584 -0.054 0.000 1.160 319 A CA 2.331 54.309 52.037 -0.098 0.000 0.653 319 A CB -0.879 18.095 19.000 -0.044 0.000 0.801 319 A HN 1.175 nan 8.150 nan 0.000 0.455 320 S N -1.546 114.154 115.700 0.000 0.000 2.496 320 S HA -0.041 4.429 4.470 0.000 0.000 0.224 320 S C 1.483 176.208 174.600 0.208 0.000 0.996 320 S CA 0.737 59.003 58.200 0.109 0.000 0.927 320 S CB -0.471 62.834 63.200 0.174 0.000 0.774 320 S HN 1.018 nan 8.310 nan 0.000 0.524 321 W N -0.092 121.225 121.300 0.029 0.000 2.576 321 W HA 0.473 5.133 4.660 0.001 0.000 0.236 321 W C -0.796 175.745 176.519 0.037 0.000 0.989 321 W CA -0.339 57.022 57.345 0.025 0.000 1.254 321 W CB 0.042 29.514 29.460 0.021 0.000 0.857 321 W HN -0.074 nan 8.180 nan 0.000 0.662 322 V N 4.331 123.969 119.914 -0.461 0.000 2.470 322 V HA 0.205 4.325 4.120 0.000 0.000 0.276 322 V C -0.074 175.971 176.094 -0.082 0.000 1.040 322 V CA 0.669 62.763 62.300 -0.343 0.000 1.008 322 V CB 0.298 31.844 31.823 -0.461 0.000 0.990 322 V HN 0.012 nan 8.190 nan 0.000 0.477 323 K N 5.046 125.421 120.400 -0.041 0.000 2.527 323 K HA 0.516 4.836 4.320 0.000 0.000 0.260 323 K C -2.905 173.618 176.600 -0.128 0.000 0.937 323 K CA -1.795 54.462 56.287 -0.050 0.000 0.826 323 K CB 2.222 34.706 32.500 -0.027 0.000 1.359 323 K HN 0.290 nan 8.250 nan 0.000 0.434 324 P HA 0.122 nan 4.420 nan 0.000 0.270 324 P C -1.146 176.054 177.300 -0.167 0.000 1.223 324 P CA -0.492 62.469 63.100 -0.232 0.000 0.785 324 P CB 0.582 32.149 31.700 -0.222 0.000 0.923 325 V N 1.990 121.811 119.914 -0.156 0.000 2.569 325 V HA 0.327 4.447 4.120 0.000 0.000 0.301 325 V C -0.183 175.930 176.094 0.032 0.000 1.044 325 V CA -0.614 61.642 62.300 -0.073 0.000 0.874 325 V CB 1.766 33.528 31.823 -0.102 0.000 1.002 325 V HN 0.416 nan 8.190 nan 0.000 0.424 326 K N 5.033 125.467 120.400 0.057 0.000 2.235 326 K HA 0.691 5.012 4.320 0.000 0.000 0.266 326 K C -1.345 175.506 176.600 0.417 0.000 0.980 326 K CA -0.476 55.890 56.287 0.131 0.000 0.849 326 K CB 1.380 33.776 32.500 -0.174 0.000 1.098 326 K HN 0.771 nan 8.250 nan 0.000 0.445 327 Y N 2.435 122.910 120.300 0.293 0.000 2.689 327 Y HA 0.631 5.181 4.550 0.001 0.000 0.333 327 Y C -0.885 175.140 175.900 0.209 0.000 1.190 327 Y CA -1.401 56.876 58.100 0.294 0.000 1.063 327 Y CB 1.011 39.541 38.460 0.116 0.000 1.294 327 Y HN 0.465 nan 8.280 nan 0.000 0.466 328 I N -0.584 120.021 120.570 0.059 0.000 3.322 328 I HA 1.115 5.285 4.170 0.000 0.000 0.313 328 I C -0.423 175.782 176.117 0.147 0.000 1.129 328 I CA -1.361 59.896 61.300 -0.071 0.000 0.963 328 I CB 2.364 40.291 38.000 -0.122 0.000 1.273 328 I HN 1.040 nan 8.210 nan 0.000 0.473 329 G N 0.486 109.414 108.800 0.212 0.000 2.547 329 G HA2 0.450 4.410 3.960 0.000 0.000 0.291 329 G HA3 0.450 4.410 3.960 0.000 0.000 0.291 329 G C -1.738 173.207 174.900 0.075 0.000 1.471 329 G CA -0.642 44.570 45.100 0.186 0.000 0.798 329 G HN 0.510 nan 8.290 nan 0.000 0.504 330 V N 1.201 120.960 119.914 -0.257 0.000 2.352 330 V HA 0.377 4.497 4.120 0.000 0.000 0.253 330 V C 0.299 176.363 176.094 -0.051 0.000 1.083 330 V CA 0.753 62.796 62.300 -0.429 0.000 0.993 330 V CB 0.148 31.660 31.823 -0.517 0.000 1.111 330 V HN 0.828 nan 8.190 nan 0.000 0.490 331 W N 4.015 125.215 121.300 -0.166 0.000 5.536 331 W HA 0.101 4.761 4.660 0.000 0.000 0.165 331 W C 1.683 178.174 176.519 -0.046 0.000 1.879 331 W CA -0.066 57.210 57.345 -0.114 0.000 1.983 331 W CB -0.375 29.089 29.460 0.007 0.000 0.657 331 W HN 0.433 nan 8.180 nan 0.000 1.106 332 W N 2.633 123.780 121.300 -0.254 0.000 2.331 332 W HA -0.240 4.421 4.660 0.000 0.000 0.291 332 W C 1.275 177.512 176.519 -0.470 0.000 1.214 332 W CA 2.273 59.310 57.345 -0.513 0.000 1.228 332 W CB -0.240 29.117 29.460 -0.171 0.000 1.135 332 W HN -0.069 nan 8.180 nan 0.000 0.537 333 D N 0.343 120.587 120.400 -0.260 0.000 2.106 333 D HA -0.253 4.387 4.640 0.000 0.000 0.191 333 D C 2.020 177.978 176.300 -0.570 0.000 0.997 333 D CA 2.476 56.259 54.000 -0.361 0.000 0.834 333 D CB -0.623 40.005 40.800 -0.286 0.000 0.956 333 D HN 0.119 nan 8.370 nan 0.000 0.448 334 M N -0.352 118.771 119.600 -0.795 0.000 2.200 334 M HA -0.026 4.454 4.480 0.000 0.000 0.265 334 M C 1.958 177.699 176.300 -0.933 0.000 1.066 334 M CA 0.561 55.175 55.300 -1.143 0.000 1.127 334 M CB -0.157 31.082 32.600 -2.268 0.000 1.379 334 M HN 0.020 nan 8.290 nan 0.000 0.420 335 I N 0.292 120.343 120.570 -0.864 0.000 2.208 335 I HA -0.252 3.918 4.170 0.000 0.000 0.245 335 I C 2.411 178.192 176.117 -0.561 0.000 1.097 335 I CA 2.171 63.108 61.300 -0.606 0.000 1.363 335 I CB -1.841 35.558 38.000 -1.002 0.000 1.051 335 I HN 0.434 nan 8.210 nan 0.000 0.413 336 T N -2.116 111.933 114.554 -0.841 0.000 3.067 336 T HA 0.198 4.549 4.350 0.000 0.000 0.261 336 T C 1.601 176.067 174.700 -0.390 0.000 1.110 336 T CA 0.890 62.571 62.100 -0.698 0.000 1.113 336 T CB 0.193 68.522 68.868 -0.898 0.000 0.917 336 T HN 0.508 nan 8.240 nan 0.000 0.499 337 G N 1.426 110.003 108.800 -0.372 0.000 2.179 337 G HA2 -0.288 3.673 3.960 0.000 0.000 0.220 337 G HA3 -0.288 3.673 3.960 0.000 0.000 0.220 337 G C 0.713 175.472 174.900 -0.236 0.000 0.990 337 G CA 0.553 45.504 45.100 -0.248 0.000 0.646 337 G HN 0.637 nan 8.290 nan 0.000 0.517 338 K N 0.575 120.807 120.400 -0.281 0.000 2.097 338 K HA 0.212 4.532 4.320 0.000 0.000 0.206 338 K C 1.502 177.978 176.600 -0.208 0.000 1.049 338 K CA 1.706 57.862 56.287 -0.218 0.000 0.933 338 K CB -0.250 32.120 32.500 -0.217 0.000 0.717 338 K HN 0.632 nan 8.250 nan 0.000 0.442 339 G N -0.610 108.022 108.800 -0.281 0.000 3.042 339 G HA2 0.435 4.395 3.960 0.000 0.000 0.278 339 G HA3 0.435 4.395 3.960 0.000 0.000 0.278 339 G C -1.335 173.369 174.900 -0.326 0.000 1.371 339 G CA -0.595 44.342 45.100 -0.271 0.000 1.009 339 G HN 0.279 nan 8.290 nan 0.000 0.523 340 S N -1.546 113.994 115.700 -0.267 0.000 2.599 340 S HA 0.447 4.917 4.470 0.000 0.000 0.294 340 S C 0.089 174.573 174.600 -0.192 0.000 1.094 340 S CA -0.805 57.276 58.200 -0.198 0.000 0.931 340 S CB 1.793 64.983 63.200 -0.016 0.000 1.093 340 S HN 0.667 nan 8.310 nan 0.000 0.488 341 W N 0.881 122.094 121.300 -0.145 0.000 2.523 341 W HA 0.284 4.944 4.660 0.001 0.000 0.278 341 W C 1.300 177.803 176.519 -0.026 0.000 1.236 341 W CA 0.391 57.526 57.345 -0.349 0.000 1.306 341 W CB -0.487 28.472 29.460 -0.835 0.000 1.101 341 W HN 0.903 nan 8.180 nan 0.000 0.577 342 A N -0.070 122.940 122.820 0.317 0.000 2.386 342 A HA 0.044 4.364 4.320 0.000 0.000 0.248 342 A C 0.280 177.691 177.584 -0.289 0.000 1.082 342 A CA -0.073 52.067 52.037 0.172 0.000 0.789 342 A CB 0.359 19.507 19.000 0.247 0.000 1.025 342 A HN 0.324 nan 8.150 nan 0.000 0.490 343 Y N 1.415 121.196 120.300 -0.865 0.000 2.347 343 Y HA 0.197 4.748 4.550 0.001 0.000 0.294 343 Y C 1.186 176.844 175.900 -0.403 0.000 1.117 343 Y CA 1.779 59.201 58.100 -1.130 0.000 1.184 343 Y CB 0.258 37.700 38.460 -1.697 0.000 1.047 343 Y HN 0.670 nan 8.280 nan 0.000 0.546 344 T N -0.947 113.547 114.554 -0.101 0.000 2.896 344 T HA 0.305 4.655 4.350 0.000 0.000 0.297 344 T C -0.739 173.975 174.700 0.024 0.000 1.108 344 T CA -0.630 61.443 62.100 -0.046 0.000 1.004 344 T CB 1.433 70.368 68.868 0.113 0.000 1.159 344 T HN 0.080 nan 8.240 nan 0.000 0.499 345 D N 0.632 121.033 120.400 0.001 0.000 2.469 345 D HA 0.117 4.757 4.640 0.000 0.000 0.213 345 D C 1.351 177.663 176.300 0.019 0.000 1.135 345 D CA 0.079 54.091 54.000 0.020 0.000 0.834 345 D CB 0.577 41.377 40.800 0.001 0.000 1.009 345 D HN 0.837 nan 8.370 nan 0.000 0.507 346 E N 0.401 120.611 120.200 0.017 0.000 2.476 346 E HA 0.069 4.419 4.350 0.000 0.000 0.191 346 E C 0.140 176.745 176.600 0.009 0.000 1.064 346 E CA 0.194 56.600 56.400 0.010 0.000 0.866 346 E CB 0.270 29.973 29.700 0.006 0.000 0.952 346 E HN 0.162 nan 8.360 nan 0.000 0.492 347 L N 1.418 122.652 121.223 0.018 0.000 2.346 347 L HA 0.271 4.612 4.340 0.000 0.000 0.276 347 L C 1.249 178.124 176.870 0.008 0.000 1.006 347 L CA -0.621 54.221 54.840 0.003 0.000 0.817 347 L CB 1.964 44.016 42.059 -0.011 0.000 1.272 347 L HN 0.052 nan 8.230 nan 0.000 0.421 348 T N -2.449 112.102 114.554 -0.005 0.000 2.951 348 T HA 0.002 4.352 4.350 0.000 0.000 0.268 348 T C 0.682 175.377 174.700 -0.008 0.000 1.073 348 T CA 0.763 62.861 62.100 -0.004 0.000 1.134 348 T CB -0.033 68.828 68.868 -0.012 0.000 0.884 348 T HN 0.665 nan 8.240 nan 0.000 0.479 349 S N -0.337 115.352 115.700 -0.019 0.000 2.615 349 S HA 0.611 5.082 4.470 0.000 0.000 0.268 349 S C -1.252 173.316 174.600 -0.053 0.000 1.146 349 S CA -0.495 57.686 58.200 -0.032 0.000 0.818 349 S CB 1.592 64.765 63.200 -0.046 0.000 1.111 349 S HN 1.036 nan 8.310 nan 0.000 0.465 350 V N -1.383 118.487 119.914 -0.073 0.000 2.962 350 V HA 0.849 4.970 4.120 0.000 0.000 0.313 350 V C -1.308 174.705 176.094 -0.135 0.000 1.099 350 V CA -0.899 61.333 62.300 -0.113 0.000 0.971 350 V CB 1.788 33.561 31.823 -0.083 0.000 1.028 350 V HN 1.040 nan 8.190 nan 0.000 0.430 351 K N 3.627 123.941 120.400 -0.143 0.000 2.579 351 K HA 0.563 4.883 4.320 0.000 0.000 0.250 351 K C -1.070 175.450 176.600 -0.134 0.000 0.952 351 K CA -0.636 55.578 56.287 -0.122 0.000 0.857 351 K CB 2.013 34.478 32.500 -0.059 0.000 1.123 351 K HN 0.719 nan 8.250 nan 0.000 0.433 352 L N 1.704 122.784 121.223 -0.237 0.000 2.540 352 L HA -0.018 4.322 4.340 0.000 0.000 0.276 352 L C 1.403 178.269 176.870 -0.006 0.000 1.212 352 L CA 0.933 55.635 54.840 -0.229 0.000 0.893 352 L CB -0.038 41.636 42.059 -0.642 0.000 1.138 352 L HN 1.101 nan 8.230 nan 0.000 0.491 353 G N 1.978 110.786 108.800 0.013 0.000 2.217 353 G HA2 -0.247 3.713 3.960 0.000 0.000 0.246 353 G HA3 -0.247 3.713 3.960 0.000 0.000 0.246 353 G C 0.713 175.627 174.900 0.024 0.000 0.990 353 G CA 0.464 45.599 45.100 0.058 0.000 0.627 353 G HN 0.723 nan 8.290 nan 0.000 0.522 354 E N -0.714 119.479 120.200 -0.012 0.000 2.378 354 E HA 0.129 4.480 4.350 0.000 0.000 0.200 354 E C 0.494 177.048 176.600 -0.076 0.000 0.882 354 E CA 0.414 56.796 56.400 -0.031 0.000 1.061 354 E CB 0.327 30.010 29.700 -0.027 0.000 1.049 354 E HN 0.271 nan 8.360 nan 0.000 0.494 355 T N 2.396 116.867 114.554 -0.139 0.000 2.867 355 T HA 0.006 4.356 4.350 0.000 0.000 0.297 355 T C -0.394 174.157 174.700 -0.248 0.000 0.989 355 T CA 0.387 62.336 62.100 -0.253 0.000 1.159 355 T CB 0.350 68.951 68.868 -0.444 0.000 0.928 355 T HN -0.013 nan 8.240 nan 0.000 0.538 356 D N 2.512 122.802 120.400 -0.182 0.000 2.485 356 D HA 0.165 4.805 4.640 0.000 0.000 0.221 356 D C 0.419 176.681 176.300 -0.064 0.000 1.112 356 D CA -0.618 53.336 54.000 -0.076 0.000 0.911 356 D CB 0.178 40.965 40.800 -0.022 0.000 1.019 356 D HN 0.488 nan 8.370 nan 0.000 0.516 357 Y N 1.457 121.760 120.300 0.006 0.000 2.256 357 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 357 Y C 2.665 178.573 175.900 0.014 0.000 1.155 357 Y CA 1.533 59.632 58.100 -0.001 0.000 1.203 357 Y CB -0.310 38.098 38.460 -0.087 0.000 0.980 357 Y HN 0.441 nan 8.280 nan 0.000 0.530 358 S N -0.251 115.540 115.700 0.152 0.000 2.500 358 S HA -0.155 4.316 4.470 0.000 0.000 0.239 358 S C 1.361 176.038 174.600 0.129 0.000 0.989 358 S CA 1.058 59.334 58.200 0.127 0.000 0.951 358 S CB -0.309 62.948 63.200 0.094 0.000 0.759 358 S HN 0.477 nan 8.310 nan 0.000 0.523 359 K N 1.663 122.126 120.400 0.106 0.000 2.373 359 K HA 0.135 4.455 4.320 0.000 0.000 0.202 359 K C 0.300 176.953 176.600 0.088 0.000 1.025 359 K CA 0.256 56.591 56.287 0.079 0.000 1.115 359 K CB 0.801 33.325 32.500 0.039 0.000 0.858 359 K HN 0.610 nan 8.250 nan 0.000 0.525 360 T N -1.352 113.294 114.554 0.153 0.000 2.943 360 T HA 0.263 4.613 4.350 0.000 0.000 0.284 360 T C -0.262 174.536 174.700 0.165 0.000 1.015 360 T CA -0.903 61.291 62.100 0.156 0.000 1.042 360 T CB 2.049 71.049 68.868 0.220 0.000 1.055 360 T HN -0.092 nan 8.240 nan 0.000 0.500 361 K N 2.248 122.689 120.400 0.069 0.000 2.276 361 K HA 0.347 4.667 4.320 0.000 0.000 0.285 361 K C -2.594 173.930 176.600 -0.128 0.000 1.062 361 K CA -2.107 54.177 56.287 -0.005 0.000 0.918 361 K CB 0.255 32.745 32.500 -0.016 0.000 1.055 361 K HN 0.334 nan 8.250 nan 0.000 0.477 362 P HA -0.019 nan 4.420 nan 0.000 0.265 362 P C -0.524 176.597 177.300 -0.298 0.000 1.193 362 P CA -0.014 62.761 63.100 -0.540 0.000 0.765 362 P CB 0.502 31.927 31.700 -0.459 0.000 0.823 363 N N 2.200 120.722 118.700 -0.296 0.000 2.521 363 N HA 0.014 4.754 4.740 0.000 0.000 0.188 363 N C 1.226 176.661 175.510 -0.126 0.000 1.146 363 N CA 0.722 53.676 53.050 -0.160 0.000 0.893 363 N CB -0.773 37.641 38.487 -0.122 0.000 0.975 363 N HN 0.576 nan 8.380 nan 0.000 0.451 364 G N -0.053 108.661 108.800 -0.143 0.000 2.168 364 G HA2 -0.359 3.602 3.960 0.000 0.000 0.257 364 G HA3 -0.359 3.602 3.960 0.000 0.000 0.257 364 G C 0.565 175.417 174.900 -0.079 0.000 0.997 364 G CA 0.814 45.856 45.100 -0.096 0.000 0.708 364 G HN 0.548 nan 8.290 nan 0.000 0.520 365 K N -0.680 119.672 120.400 -0.080 0.000 2.477 365 K HA 0.124 4.445 4.320 0.000 0.000 0.208 365 K C 0.488 177.050 176.600 -0.063 0.000 1.117 365 K CA -0.526 55.714 56.287 -0.079 0.000 1.039 365 K CB 0.632 33.082 32.500 -0.083 0.000 0.937 365 K HN 0.556 nan 8.250 nan 0.000 0.570 366 H N 1.189 120.158 119.070 -0.168 0.000 3.160 366 H HA 0.096 4.653 4.556 0.000 0.000 0.257 366 H C 0.166 175.423 175.328 -0.118 0.000 1.140 366 H CA -0.053 55.898 56.048 -0.161 0.000 1.492 366 H CB 0.730 30.387 29.762 -0.174 0.000 1.529 366 H HN 0.076 nan 8.280 nan 0.000 0.490 367 S N 3.544 119.035 115.700 -0.348 0.000 2.423 367 S HA -0.082 4.388 4.470 0.000 0.000 0.231 367 S C 1.524 175.893 174.600 -0.385 0.000 1.014 367 S CA 0.692 58.694 58.200 -0.330 0.000 0.965 367 S CB 0.174 63.182 63.200 -0.321 0.000 0.785 367 S HN 0.712 nan 8.310 nan 0.000 0.495 368 A N 2.916 125.353 122.820 -0.637 0.000 3.051 368 A HA 0.317 4.638 4.320 0.000 0.000 0.257 368 A C 0.232 177.777 177.584 -0.066 0.000 1.785 368 A CA -0.686 51.156 52.037 -0.326 0.000 1.420 368 A CB -1.098 17.749 19.000 -0.255 0.000 1.063 368 A HN 0.616 nan 8.150 nan 0.000 0.630 369 N N -1.940 116.752 118.700 -0.014 0.000 2.319 369 N HA 0.398 5.139 4.740 0.000 0.000 0.305 369 N C 0.662 176.224 175.510 0.088 0.000 1.103 369 N CA -0.160 52.967 53.050 0.129 0.000 0.815 369 N CB 0.696 39.232 38.487 0.082 0.000 1.288 369 N HN -0.064 nan 8.380 nan 0.000 0.493 370 T N 0.637 115.219 114.554 0.046 0.000 2.620 370 T HA -0.325 4.025 4.350 0.000 0.000 0.267 370 T C 1.822 176.483 174.700 -0.066 0.000 1.044 370 T CA 2.469 64.524 62.100 -0.075 0.000 1.161 370 T CB -0.788 68.023 68.868 -0.094 0.000 0.862 370 T HN 0.750 nan 8.240 nan 0.000 0.438 371 A N 1.683 124.481 122.820 -0.037 0.000 1.883 371 A HA -0.197 4.123 4.320 0.000 0.000 0.217 371 A C 2.223 179.807 177.584 0.000 0.000 1.186 371 A CA 2.214 54.227 52.037 -0.041 0.000 0.624 371 A CB -0.928 18.060 19.000 -0.020 0.000 0.822 371 A HN 0.520 nan 8.150 nan 0.000 0.444 372 N N -0.154 118.562 118.700 0.027 0.000 2.142 372 N HA -0.116 4.624 4.740 0.000 0.000 0.186 372 N C 1.462 177.058 175.510 0.143 0.000 1.023 372 N CA 1.687 54.787 53.050 0.084 0.000 0.852 372 N CB -0.343 38.166 38.487 0.037 0.000 0.998 372 N HN 0.154 nan 8.380 nan 0.000 0.424 373 V N 0.855 120.806 119.914 0.062 0.000 2.343 373 V HA -0.197 3.924 4.120 0.000 0.000 0.247 373 V C 2.191 178.377 176.094 0.153 0.000 1.051 373 V CA 1.540 63.888 62.300 0.080 0.000 1.036 373 V CB -0.433 31.432 31.823 0.070 0.000 0.654 373 V HN 0.359 nan 8.190 nan 0.000 0.451 374 K N -0.340 120.098 120.400 0.063 0.000 2.147 374 K HA -0.139 4.182 4.320 0.000 0.000 0.205 374 K C 2.393 179.112 176.600 0.198 0.000 1.049 374 K CA 1.217 57.536 56.287 0.054 0.000 0.936 374 K CB -0.206 32.103 32.500 -0.317 0.000 0.722 374 K HN 0.405 nan 8.250 nan 0.000 0.446 375 R N -0.431 120.172 120.500 0.172 0.000 2.092 375 R HA -0.126 4.214 4.340 0.000 0.000 0.231 375 R C 2.086 178.513 176.300 0.212 0.000 1.119 375 R CA 1.375 57.578 56.100 0.171 0.000 0.970 375 R CB -0.250 30.119 30.300 0.114 0.000 0.864 375 R HN 0.232 nan 8.270 nan 0.000 0.440 376 Y N 0.763 121.124 120.300 0.101 0.000 2.200 376 Y HA -0.121 4.429 4.550 0.001 0.000 0.290 376 Y C 2.152 178.156 175.900 0.174 0.000 1.137 376 Y CA 1.041 59.211 58.100 0.116 0.000 1.163 376 Y CB -0.220 38.287 38.460 0.077 0.000 0.988 376 Y HN -0.021 nan 8.280 nan 0.000 0.518 377 I N -0.298 120.474 120.570 0.337 0.000 2.226 377 I HA -0.317 3.854 4.170 0.000 0.000 0.245 377 I C 1.852 178.091 176.117 0.205 0.000 1.100 377 I CA 1.409 62.863 61.300 0.258 0.000 1.374 377 I CB -0.334 37.843 38.000 0.295 0.000 1.057 377 I HN 0.186 nan 8.210 nan 0.000 0.413 378 D N 0.588 121.136 120.400 0.246 0.000 2.104 378 D HA -0.226 4.414 4.640 0.000 0.000 0.194 378 D C 1.955 178.334 176.300 0.132 0.000 0.994 378 D CA 1.421 55.523 54.000 0.169 0.000 0.830 378 D CB -0.371 40.545 40.800 0.194 0.000 0.959 378 D HN 0.257 nan 8.370 nan 0.000 0.452 379 F N 1.606 121.578 119.950 0.037 0.000 2.113 379 F HA -0.112 4.415 4.527 0.000 0.000 0.297 379 F C 2.272 178.131 175.800 0.100 0.000 1.103 379 F CA 1.451 59.482 58.000 0.052 0.000 1.248 379 F CB -0.268 38.713 39.000 -0.032 0.000 0.999 379 F HN -0.074 nan 8.300 nan 0.000 0.475 380 A N 0.356 123.290 122.820 0.190 0.000 1.883 380 A HA -0.138 4.182 4.320 0.000 0.000 0.217 380 A C 2.394 180.059 177.584 0.134 0.000 1.186 380 A CA 2.056 54.178 52.037 0.142 0.000 0.624 380 A CB -1.600 17.504 19.000 0.173 0.000 0.822 380 A HN 0.491 nan 8.150 nan 0.000 0.444 381 A N -0.390 122.457 122.820 0.044 0.000 1.930 381 A HA 0.226 4.546 4.320 0.000 0.000 0.217 381 A C 2.467 179.986 177.584 -0.109 0.000 1.175 381 A CA 1.884 53.908 52.037 -0.022 0.000 0.627 381 A CB -0.936 18.032 19.000 -0.055 0.000 0.815 381 A HN 1.092 nan 8.150 nan 0.000 0.443 382 A N -1.413 121.271 122.820 -0.226 0.000 2.019 382 A HA -0.137 4.183 4.320 0.000 0.000 0.219 382 A C 1.677 178.894 177.584 -0.612 0.000 1.164 382 A CA 1.410 53.179 52.037 -0.447 0.000 0.644 382 A CB -0.597 18.034 19.000 -0.616 0.000 0.805 382 A HN 0.641 nan 8.150 nan 0.000 0.449 383 H N -1.733 117.272 119.070 -0.107 0.000 2.528 383 H HA 0.321 4.877 4.556 0.000 0.000 0.282 383 H C 1.404 176.710 175.328 -0.037 0.000 1.097 383 H CA 0.328 56.349 56.048 -0.044 0.000 1.121 383 H CB 0.007 29.771 29.762 0.002 0.000 1.590 383 H HN 0.591 nan 8.280 nan 0.000 0.553 384 G N 1.031 109.841 108.800 0.016 0.000 2.143 384 G HA2 -0.285 3.675 3.960 0.000 0.000 0.248 384 G HA3 -0.285 3.675 3.960 0.000 0.000 0.248 384 G C -0.077 174.745 174.900 -0.129 0.000 0.991 384 G CA -0.165 44.883 45.100 -0.087 0.000 0.689 384 G HN 0.187 nan 8.290 nan 0.000 0.522 385 F N 0.648 120.561 119.950 -0.061 0.000 2.403 385 F HA 0.392 4.919 4.527 0.000 0.000 0.320 385 F C 1.592 177.383 175.800 -0.015 0.000 1.176 385 F CA 0.003 57.986 58.000 -0.028 0.000 1.206 385 F CB 0.573 39.600 39.000 0.045 0.000 1.235 385 F HN -0.024 nan 8.300 nan 0.000 0.565 386 D N 0.363 120.864 120.400 0.167 0.000 2.262 386 D HA 0.228 4.868 4.640 0.000 0.000 0.212 386 D C 0.354 176.723 176.300 0.115 0.000 0.964 386 D CA 0.787 54.839 54.000 0.087 0.000 0.875 386 D CB 0.354 41.169 40.800 0.025 0.000 0.996 386 D HN 0.401 nan 8.370 nan 0.000 0.497 387 A N 0.015 122.953 122.820 0.196 0.000 2.593 387 A HA 0.605 4.925 4.320 0.000 0.000 0.290 387 A C -1.465 176.261 177.584 0.237 0.000 1.126 387 A CA -0.518 51.615 52.037 0.161 0.000 0.695 387 A CB 1.960 21.004 19.000 0.074 0.000 1.290 387 A HN -0.105 nan 8.150 nan 0.000 0.414 388 V N 1.162 121.186 119.914 0.182 0.000 2.525 388 V HA 0.454 4.574 4.120 0.000 0.000 0.299 388 V C -0.767 175.434 176.094 0.179 0.000 1.034 388 V CA -0.372 62.056 62.300 0.213 0.000 0.863 388 V CB 1.268 33.207 31.823 0.194 0.000 0.999 388 V HN 0.908 nan 8.190 nan 0.000 0.423 389 L N 6.821 128.179 121.223 0.225 0.000 2.350 389 L HA 0.786 5.126 4.340 0.000 0.000 0.275 389 L C -0.582 176.347 176.870 0.098 0.000 1.099 389 L CA 0.368 55.296 54.840 0.146 0.000 0.808 389 L CB 1.603 43.769 42.059 0.178 0.000 1.149 389 L HN 0.433 nan 8.230 nan 0.000 0.442 390 V N 4.575 124.545 119.914 0.093 0.000 2.569 390 V HA 0.476 4.596 4.120 0.000 0.000 0.301 390 V C -0.558 175.599 176.094 0.105 0.000 1.044 390 V CA -0.681 61.660 62.300 0.068 0.000 0.874 390 V CB 1.545 33.463 31.823 0.158 0.000 1.002 390 V HN 0.837 nan 8.190 nan 0.000 0.424 391 E N 2.486 122.691 120.200 0.009 0.000 2.202 391 E HA 0.632 4.982 4.350 0.000 0.000 0.272 391 E C 0.796 177.336 176.600 -0.099 0.000 0.951 391 E CA -0.182 56.237 56.400 0.032 0.000 0.813 391 E CB 1.993 31.658 29.700 -0.059 0.000 1.151 391 E HN 1.041 nan 8.360 nan 0.000 0.398 392 G N 2.119 110.745 108.800 -0.290 0.000 2.132 392 G HA2 -0.204 3.756 3.960 0.000 0.000 0.228 392 G HA3 -0.204 3.756 3.960 0.000 0.000 0.228 392 G C 0.454 175.391 174.900 0.062 0.000 1.000 392 G CA 0.393 45.193 45.100 -0.500 0.000 0.693 392 G HN 0.756 nan 8.290 nan 0.000 0.515 393 W N 1.279 122.482 121.300 -0.163 0.000 2.658 393 W HA 0.195 4.855 4.660 0.000 0.000 0.263 393 W C 0.371 176.700 176.519 -0.317 0.000 1.274 393 W CA 0.801 57.858 57.345 -0.479 0.000 1.343 393 W CB -0.613 28.076 29.460 -1.284 0.000 1.106 393 W HN 0.450 nan 8.180 nan 0.000 0.615 394 N N 1.611 119.497 118.700 -1.357 0.000 2.443 394 N HA 0.123 4.863 4.740 0.000 0.000 0.293 394 N C -0.644 174.018 175.510 -1.412 0.000 1.159 394 N CA -0.593 51.512 53.050 -1.575 0.000 0.904 394 N CB 1.148 38.325 38.487 -2.183 0.000 1.214 394 N HN 0.053 nan 8.380 nan 0.000 0.513 395 E N -0.706 118.698 120.200 -1.327 0.000 2.442 395 E HA 0.277 4.627 4.350 0.000 0.000 0.262 395 E C 0.601 176.883 176.600 -0.530 0.000 1.004 395 E CA 0.915 56.627 56.400 -1.146 0.000 0.928 395 E CB 0.191 29.553 29.700 -0.562 0.000 0.937 395 E HN 0.915 nan 8.360 nan 0.000 0.446 396 G N 2.273 110.952 108.800 -0.202 0.000 2.253 396 G HA2 -0.238 3.723 3.960 0.000 0.000 0.209 396 G HA3 -0.238 3.723 3.960 0.000 0.000 0.209 396 G C 0.497 175.316 174.900 -0.134 0.000 0.997 396 G CA -0.108 44.856 45.100 -0.228 0.000 0.640 396 G HN 0.686 nan 8.290 nan 0.000 0.496 397 W N 1.457 122.903 121.300 0.244 0.000 2.387 397 W HA 0.221 4.882 4.660 0.001 0.000 0.272 397 W C 2.187 178.909 176.519 0.338 0.000 1.224 397 W CA 1.435 58.977 57.345 0.329 0.000 1.210 397 W CB 0.027 29.678 29.460 0.318 0.000 1.125 397 W HN 0.380 nan 8.180 nan 0.000 0.572 398 E N -0.285 120.180 120.200 0.442 0.000 2.160 398 E HA -0.185 4.166 4.350 0.000 0.000 0.195 398 E C 0.955 177.694 176.600 0.232 0.000 0.991 398 E CA 1.499 58.097 56.400 0.331 0.000 0.810 398 E CB -0.353 29.503 29.700 0.260 0.000 0.742 398 E HN 0.156 nan 8.360 nan 0.000 0.466 399 D N -1.097 119.362 120.400 0.099 0.000 2.462 399 D HA -0.011 4.629 4.640 0.000 0.000 0.221 399 D C 0.961 177.210 176.300 -0.086 0.000 1.173 399 D CA -0.202 53.783 54.000 -0.024 0.000 0.831 399 D CB -0.414 40.305 40.800 -0.134 0.000 1.001 399 D HN 0.373 nan 8.370 nan 0.000 0.499 400 W N 0.277 121.464 121.300 -0.188 0.000 2.421 400 W HA 0.006 4.666 4.660 0.000 0.000 0.270 400 W C -0.550 175.942 176.519 -0.044 0.000 1.233 400 W CA -0.112 57.085 57.345 -0.246 0.000 1.226 400 W CB -0.648 28.688 29.460 -0.206 0.000 1.121 400 W HN -0.103 nan 8.180 nan 0.000 0.579 401 F N 1.859 121.290 119.950 -0.865 0.000 2.361 401 F HA 0.524 5.051 4.527 0.001 0.000 0.364 401 F C 1.221 176.731 175.800 -0.483 0.000 1.117 401 F CA 0.540 57.944 58.000 -0.993 0.000 1.071 401 F CB 1.004 39.213 39.000 -1.317 0.000 1.188 401 F HN 0.148 nan 8.300 nan 0.000 0.464 402 G N 4.017 112.306 108.800 -0.851 0.000 2.203 402 G HA2 -0.368 3.592 3.960 0.000 0.000 0.263 402 G HA3 -0.368 3.592 3.960 0.000 0.000 0.263 402 G C 0.662 175.392 174.900 -0.284 0.000 1.012 402 G CA 0.534 45.293 45.100 -0.568 0.000 0.749 402 G HN 0.654 nan 8.290 nan 0.000 0.512 403 N N 0.089 118.646 118.700 -0.237 0.000 2.280 403 N HA 0.137 4.877 4.740 0.000 0.000 0.192 403 N C 1.171 176.596 175.510 -0.141 0.000 1.109 403 N CA 0.930 53.885 53.050 -0.159 0.000 0.855 403 N CB 0.507 38.909 38.487 -0.142 0.000 0.974 403 N HN 0.614 nan 8.380 nan 0.000 0.482 404 S N 0.692 116.298 115.700 -0.157 0.000 3.631 404 S HA -0.224 4.246 4.470 0.000 0.000 0.366 404 S C 0.137 174.673 174.600 -0.107 0.000 0.993 404 S CA 0.426 58.554 58.200 -0.120 0.000 1.167 404 S CB -1.342 61.800 63.200 -0.098 0.000 0.909 404 S HN 0.468 nan 8.310 nan 0.000 0.478 405 K N 0.452 120.773 120.400 -0.132 0.000 2.258 405 K HA 0.231 4.551 4.320 0.000 0.000 0.284 405 K C 1.015 177.554 176.600 -0.102 0.000 1.051 405 K CA -0.282 55.928 56.287 -0.129 0.000 0.923 405 K CB 0.693 33.077 32.500 -0.192 0.000 1.046 405 K HN 0.296 nan 8.250 nan 0.000 0.474 406 D N 2.674 123.045 120.400 -0.049 0.000 2.087 406 D HA -0.202 4.439 4.640 0.000 0.000 0.201 406 D C -0.071 176.269 176.300 0.066 0.000 0.980 406 D CA 1.225 55.230 54.000 0.007 0.000 0.849 406 D CB -0.070 40.742 40.800 0.020 0.000 1.001 406 D HN 0.544 nan 8.370 nan 0.000 0.452 407 Y N 1.635 121.880 120.300 -0.093 0.000 2.735 407 Y HA 0.294 4.844 4.550 0.001 0.000 0.354 407 Y C 0.879 176.637 175.900 -0.236 0.000 1.288 407 Y CA -0.564 57.475 58.100 -0.102 0.000 1.836 407 Y CB -0.045 38.379 38.460 -0.060 0.000 1.920 407 Y HN -0.125 nan 8.280 nan 0.000 0.438 408 V N 4.223 123.921 119.914 -0.359 0.000 2.725 408 V HA 0.167 4.287 4.120 0.000 0.000 0.247 408 V C -0.361 174.999 176.094 -1.223 0.000 1.058 408 V CA 1.146 62.989 62.300 -0.763 0.000 1.080 408 V CB -0.085 31.302 31.823 -0.727 0.000 0.713 408 V HN 0.288 nan 8.190 nan 0.000 0.465 409 F N 0.260 119.750 119.950 -0.765 0.000 2.645 409 F HA 0.471 4.999 4.527 0.000 0.000 0.310 409 F C 0.215 175.282 175.800 -1.222 0.000 1.102 409 F CA -0.767 56.555 58.000 -1.131 0.000 0.952 409 F CB 1.573 39.603 39.000 -1.617 0.000 1.326 409 F HN 0.069 nan 8.300 nan 0.000 0.456 410 D N -0.853 119.006 120.400 -0.901 0.000 2.469 410 D HA 0.110 4.750 4.640 0.000 0.000 0.213 410 D C 0.552 176.608 176.300 -0.407 0.000 1.135 410 D CA -0.131 53.425 54.000 -0.739 0.000 0.834 410 D CB -0.285 40.350 40.800 -0.274 0.000 1.009 410 D HN 0.383 nan 8.370 nan 0.000 0.507 411 F N -0.249 119.446 119.950 -0.426 0.000 3.021 411 F HA -0.298 4.229 4.527 0.000 0.000 0.294 411 F C 1.298 176.965 175.800 -0.222 0.000 0.761 411 F CA 1.015 58.797 58.000 -0.363 0.000 1.102 411 F CB -1.921 36.813 39.000 -0.443 0.000 1.380 411 F HN 0.218 nan 8.300 nan 0.000 0.387 412 V N -6.410 113.344 119.914 -0.266 0.000 3.332 412 V HA 0.294 4.414 4.120 0.000 0.000 0.263 412 V C 0.696 176.538 176.094 -0.420 0.000 1.562 412 V CA 0.657 62.624 62.300 -0.555 0.000 1.040 412 V CB 0.878 32.451 31.823 -0.417 0.000 0.857 412 V HN 0.079 nan 8.190 nan 0.000 0.428 413 T N 5.843 120.210 114.554 -0.310 0.000 2.727 413 T HA 0.468 4.818 4.350 0.000 0.000 0.298 413 T C -2.480 172.067 174.700 -0.254 0.000 0.942 413 T CA -0.711 61.279 62.100 -0.183 0.000 0.997 413 T CB 1.377 70.143 68.868 -0.170 0.000 0.917 413 T HN 0.467 nan 8.240 nan 0.000 0.487 414 P HA 0.215 nan 4.420 nan 0.000 0.276 414 P C -0.602 176.698 177.300 0.001 0.000 1.244 414 P CA -0.626 62.587 63.100 0.188 0.000 0.801 414 P CB 0.759 32.858 31.700 0.664 0.000 1.006 415 Y N 1.619 121.908 120.300 -0.017 0.000 2.330 415 Y HA 0.077 4.628 4.550 0.001 0.000 0.341 415 Y C -0.787 175.056 175.900 -0.095 0.000 1.278 415 Y CA -1.347 56.602 58.100 -0.252 0.000 1.453 415 Y CB -1.125 37.185 38.460 -0.250 0.000 1.342 415 Y HN 0.376 nan 8.280 nan 0.000 0.590 416 P HA -0.151 nan 4.420 nan 0.000 0.219 416 P C 0.346 177.757 177.300 0.185 0.000 1.146 416 P CA 1.931 65.040 63.100 0.014 0.000 0.808 416 P CB 0.166 31.806 31.700 -0.100 0.000 0.779 417 D N -2.225 118.363 120.400 0.312 0.000 2.342 417 D HA -0.007 4.634 4.640 0.000 0.000 0.221 417 D C -0.388 176.144 176.300 0.386 0.000 1.101 417 D CA -0.414 53.806 54.000 0.366 0.000 0.837 417 D CB -0.829 40.252 40.800 0.468 0.000 0.938 417 D HN 0.129 nan 8.370 nan 0.000 0.508 418 F N 1.652 121.761 119.950 0.265 0.000 2.430 418 F HA 0.248 4.775 4.527 0.000 0.000 0.362 418 F C -0.558 175.383 175.800 0.234 0.000 1.103 418 F CA -1.258 56.902 58.000 0.267 0.000 1.045 418 F CB 1.153 40.388 39.000 0.391 0.000 1.276 418 F HN -0.301 nan 8.300 nan 0.000 0.444 419 D N 5.852 126.160 120.400 -0.155 0.000 2.453 419 D HA 0.102 4.743 4.640 0.000 0.000 0.223 419 D C 1.263 177.448 176.300 -0.192 0.000 1.183 419 D CA 0.208 54.160 54.000 -0.081 0.000 0.933 419 D CB 1.085 41.845 40.800 -0.067 0.000 1.038 419 D HN 0.416 nan 8.370 nan 0.000 0.513 420 V N 4.773 124.707 119.914 0.034 0.000 2.252 420 V HA -0.302 3.818 4.120 0.000 0.000 0.249 420 V C 2.444 178.573 176.094 0.059 0.000 1.056 420 V CA 1.760 64.134 62.300 0.123 0.000 1.022 420 V CB -0.325 31.738 31.823 0.400 0.000 0.641 420 V HN 0.524 nan 8.190 nan 0.000 0.445 421 K N -0.299 120.148 120.400 0.078 0.000 2.057 421 K HA -0.230 4.091 4.320 0.000 0.000 0.207 421 K C 2.245 178.860 176.600 0.025 0.000 1.049 421 K CA 1.654 57.981 56.287 0.066 0.000 0.931 421 K CB -0.216 32.318 32.500 0.056 0.000 0.714 421 K HN 0.433 nan 8.250 nan 0.000 0.440 422 E N 1.563 121.758 120.200 -0.008 0.000 2.077 422 E HA -0.133 4.217 4.350 0.000 0.000 0.193 422 E C 1.716 178.309 176.600 -0.011 0.000 0.989 422 E CA 1.203 57.590 56.400 -0.022 0.000 0.800 422 E CB -0.184 29.485 29.700 -0.051 0.000 0.746 422 E HN 0.251 nan 8.360 nan 0.000 0.452 423 I N 0.218 120.745 120.570 -0.072 0.000 2.286 423 I HA -0.257 3.913 4.170 0.000 0.000 0.248 423 I C 2.434 178.579 176.117 0.046 0.000 1.115 423 I CA 1.341 62.607 61.300 -0.056 0.000 1.392 423 I CB -0.417 37.439 38.000 -0.240 0.000 1.065 423 I HN 0.273 nan 8.210 nan 0.000 0.418 424 H N 1.871 120.875 119.070 -0.110 0.000 2.321 424 H HA -0.096 4.460 4.556 0.000 0.000 0.300 424 H C 2.323 177.607 175.328 -0.073 0.000 1.087 424 H CA 1.770 57.734 56.048 -0.141 0.000 1.319 424 H CB -0.085 29.582 29.762 -0.158 0.000 1.379 424 H HN 0.143 nan 8.280 nan 0.000 0.501 425 R N -1.208 119.254 120.500 -0.064 0.000 2.091 425 R HA -0.195 4.146 4.340 0.000 0.000 0.238 425 R C 2.304 178.605 176.300 0.003 0.000 1.136 425 R CA 1.665 57.698 56.100 -0.111 0.000 0.959 425 R CB -0.656 29.608 30.300 -0.061 0.000 0.856 425 R HN 0.355 nan 8.270 nan 0.000 0.437 426 Y N 1.137 121.402 120.300 -0.058 0.000 2.200 426 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 426 Y C 2.349 178.236 175.900 -0.020 0.000 1.137 426 Y CA 1.199 59.278 58.100 -0.036 0.000 1.163 426 Y CB -0.375 38.068 38.460 -0.028 0.000 0.988 426 Y HN 0.065 nan 8.280 nan 0.000 0.518 427 A N 0.115 122.968 122.820 0.055 0.000 1.877 427 A HA -0.115 4.205 4.320 0.000 0.000 0.216 427 A C 2.438 179.987 177.584 -0.058 0.000 1.186 427 A CA 1.895 53.925 52.037 -0.010 0.000 0.620 427 A CB -1.479 17.536 19.000 0.025 0.000 0.822 427 A HN 0.531 nan 8.150 nan 0.000 0.443 428 A N -0.140 122.663 122.820 -0.028 0.000 1.908 428 A HA -0.214 4.107 4.320 0.000 0.000 0.218 428 A C 2.267 179.794 177.584 -0.095 0.000 1.181 428 A CA 1.879 53.887 52.037 -0.050 0.000 0.627 428 A CB -0.545 18.406 19.000 -0.081 0.000 0.818 428 A HN 0.583 nan 8.150 nan 0.000 0.445 429 R N -0.470 119.949 120.500 -0.136 0.000 2.120 429 R HA -0.110 4.230 4.340 0.000 0.000 0.234 429 R C 0.989 177.177 176.300 -0.187 0.000 1.123 429 R CA 1.484 57.489 56.100 -0.159 0.000 0.975 429 R CB -0.069 30.119 30.300 -0.188 0.000 0.866 429 R HN 0.260 nan 8.270 nan 0.000 0.446 430 K N -0.552 119.707 120.400 -0.234 0.000 2.404 430 K HA 0.111 4.431 4.320 0.000 0.000 0.194 430 K C 0.727 177.258 176.600 -0.114 0.000 1.023 430 K CA 0.754 56.918 56.287 -0.204 0.000 1.094 430 K CB 0.808 33.147 32.500 -0.269 0.000 0.841 430 K HN 0.450 nan 8.250 nan 0.000 0.523 431 G N 1.958 110.704 108.800 -0.090 0.000 2.160 431 G HA2 -0.212 3.748 3.960 0.000 0.000 0.251 431 G HA3 -0.212 3.748 3.960 0.000 0.000 0.251 431 G C 0.055 174.936 174.900 -0.033 0.000 1.008 431 G CA -0.101 44.965 45.100 -0.056 0.000 0.724 431 G HN 0.178 nan 8.290 nan 0.000 0.514 432 I N -0.260 120.292 120.570 -0.030 0.000 2.525 432 I HA 0.533 4.704 4.170 0.000 0.000 0.301 432 I C 0.144 176.256 176.117 -0.008 0.000 0.992 432 I CA -1.098 60.203 61.300 0.002 0.000 1.162 432 I CB 1.782 39.797 38.000 0.025 0.000 1.332 432 I HN -0.137 nan 8.210 nan 0.000 0.458 433 K N 5.126 125.524 120.400 -0.005 0.000 2.207 433 K HA 0.526 4.847 4.320 0.000 0.000 0.255 433 K C -0.575 175.993 176.600 -0.053 0.000 0.941 433 K CA -0.910 55.347 56.287 -0.049 0.000 0.825 433 K CB 1.985 34.462 32.500 -0.038 0.000 1.119 433 K HN 0.380 nan 8.250 nan 0.000 0.430 434 M N 2.567 122.070 119.600 -0.161 0.000 2.233 434 M HA 0.353 4.833 4.480 0.000 0.000 0.355 434 M C 0.176 176.494 176.300 0.030 0.000 1.191 434 M CA -0.433 54.802 55.300 -0.108 0.000 1.101 434 M CB 0.765 33.175 32.600 -0.316 0.000 1.592 434 M HN 0.505 nan 8.290 nan 0.000 0.461 435 M N 3.966 123.625 119.600 0.099 0.000 2.113 435 M HA 0.322 4.802 4.480 0.000 0.000 0.352 435 M C -0.469 175.917 176.300 0.144 0.000 1.170 435 M CA -0.716 54.628 55.300 0.074 0.000 1.053 435 M CB 0.987 33.533 32.600 -0.091 0.000 1.601 435 M HN 0.726 nan 8.290 nan 0.000 0.459 436 M N 4.656 124.313 119.600 0.096 0.000 2.240 436 M HA 0.170 4.650 4.480 0.000 0.000 0.333 436 M C -1.257 175.037 176.300 -0.011 0.000 1.110 436 M CA 0.657 55.855 55.300 -0.171 0.000 1.173 436 M CB 0.332 32.657 32.600 -0.458 0.000 1.458 436 M HN 0.627 nan 8.290 nan 0.000 0.458 437 H N 2.744 121.827 119.070 0.023 0.000 2.589 437 H HA 0.422 4.978 4.556 0.001 0.000 0.335 437 H C -1.431 174.111 175.328 0.357 0.000 1.019 437 H CA -0.344 55.805 56.048 0.169 0.000 1.213 437 H CB 0.490 30.412 29.762 0.267 0.000 1.472 437 H HN 0.849 nan 8.280 nan 0.000 0.508 438 H N 3.838 122.792 119.070 -0.193 0.000 2.317 438 H HA 0.108 4.665 4.556 0.000 0.000 0.231 438 H C -0.444 174.558 175.328 -0.543 0.000 1.442 438 H CA -0.678 55.220 56.048 -0.250 0.000 1.336 438 H CB 0.655 30.302 29.762 -0.191 0.000 1.533 438 H HN 0.522 nan 8.280 nan 0.000 0.522 439 E N 1.532 121.285 120.200 -0.745 0.000 2.344 439 E HA -0.019 4.331 4.350 0.000 0.000 0.270 439 E C 1.104 177.426 176.600 -0.463 0.000 1.021 439 E CA 0.053 56.118 56.400 -0.559 0.000 0.887 439 E CB 0.954 30.350 29.700 -0.507 0.000 0.997 439 E HN 0.560 nan 8.360 nan 0.000 0.429 440 T N 0.318 114.682 114.554 -0.316 0.000 3.022 440 T HA 0.086 4.436 4.350 0.000 0.000 0.250 440 T C 0.550 175.294 174.700 0.072 0.000 1.060 440 T CA 0.232 62.264 62.100 -0.112 0.000 1.013 440 T CB -0.207 68.432 68.868 -0.383 0.000 0.982 440 T HN 0.383 nan 8.240 nan 0.000 0.508 441 S N 0.836 116.596 115.700 0.100 0.000 3.587 441 S HA -0.147 4.323 4.470 0.000 0.000 0.337 441 S C 1.154 175.793 174.600 0.065 0.000 1.119 441 S CA 0.851 59.123 58.200 0.120 0.000 0.976 441 S CB -2.139 61.090 63.200 0.047 0.000 0.922 441 S HN 2.039 nan 8.310 nan 0.000 0.503 442 A N -1.022 121.876 122.820 0.130 0.000 2.861 442 A HA -0.229 4.091 4.320 0.000 0.000 0.261 442 A C 0.810 178.451 177.584 0.095 0.000 1.351 442 A CA 1.353 53.495 52.037 0.174 0.000 0.904 442 A CB -2.009 17.066 19.000 0.125 0.000 1.076 442 A HN 1.637 nan 8.150 nan 0.000 0.729 443 S N -0.203 115.546 115.700 0.081 0.000 2.592 443 S HA 0.464 4.934 4.470 0.000 0.000 0.305 443 S C 1.301 175.977 174.600 0.126 0.000 1.118 443 S CA 0.017 58.260 58.200 0.071 0.000 1.075 443 S CB 0.247 63.478 63.200 0.051 0.000 1.107 443 S HN 0.818 nan 8.310 nan 0.000 0.503 444 V N 6.113 126.076 119.914 0.081 0.000 2.407 444 V HA -0.048 4.073 4.120 0.000 0.000 0.245 444 V C 2.614 178.739 176.094 0.051 0.000 1.041 444 V CA 1.614 63.925 62.300 0.018 0.000 1.040 444 V CB -0.661 31.068 31.823 -0.157 0.000 0.671 444 V HN 0.773 nan 8.190 nan 0.000 0.455 445 R N 0.905 121.448 120.500 0.072 0.000 2.081 445 R HA -0.223 4.118 4.340 0.000 0.000 0.235 445 R C 2.192 178.571 176.300 0.130 0.000 1.131 445 R CA 2.145 58.292 56.100 0.079 0.000 0.960 445 R CB -0.393 29.944 30.300 0.062 0.000 0.856 445 R HN 0.592 nan 8.270 nan 0.000 0.436 446 N N -0.378 118.436 118.700 0.189 0.000 2.104 446 N HA -0.246 4.494 4.740 0.000 0.000 0.190 446 N C 1.634 177.442 175.510 0.496 0.000 1.024 446 N CA 1.451 54.699 53.050 0.330 0.000 0.853 446 N CB -0.335 38.342 38.487 0.316 0.000 1.008 446 N HN 0.285 nan 8.380 nan 0.000 0.424 447 Y N 1.506 121.929 120.300 0.205 0.000 2.163 447 Y HA -0.015 4.535 4.550 0.001 0.000 0.288 447 Y C 1.917 177.813 175.900 -0.006 0.000 1.136 447 Y CA 1.562 59.666 58.100 0.007 0.000 1.147 447 Y CB -0.542 37.865 38.460 -0.090 0.000 0.987 447 Y HN 0.220 nan 8.280 nan 0.000 0.509 448 E N -0.256 119.984 120.200 0.067 0.000 2.077 448 E HA -0.237 4.114 4.350 0.000 0.000 0.193 448 E C 2.287 178.869 176.600 -0.030 0.000 0.989 448 E CA 1.232 57.627 56.400 -0.008 0.000 0.800 448 E CB -0.189 29.552 29.700 0.068 0.000 0.746 448 E HN 0.470 nan 8.360 nan 0.000 0.452 449 R N -0.182 120.324 120.500 0.010 0.000 2.120 449 R HA -0.118 4.223 4.340 0.000 0.000 0.234 449 R C 1.571 177.771 176.300 -0.167 0.000 1.123 449 R CA 1.183 57.233 56.100 -0.083 0.000 0.975 449 R CB -0.159 30.068 30.300 -0.122 0.000 0.866 449 R HN 0.303 nan 8.270 nan 0.000 0.446 450 H N -0.978 118.088 119.070 -0.007 0.000 2.551 450 H HA 0.156 4.712 4.556 0.001 0.000 0.271 450 H C 1.625 176.831 175.328 -0.204 0.000 0.984 450 H CA 0.098 56.146 56.048 -0.001 0.000 1.164 450 H CB 0.329 30.234 29.762 0.238 0.000 1.437 450 H HN 0.059 nan 8.280 nan 0.000 0.550 451 M N 0.333 119.752 119.600 -0.303 0.000 2.080 451 M HA -0.213 4.267 4.480 0.000 0.000 0.260 451 M C 1.290 177.268 176.300 -0.537 0.000 1.068 451 M CA 1.798 56.703 55.300 -0.658 0.000 1.109 451 M CB 0.158 32.289 32.600 -0.782 0.000 1.342 451 M HN 0.262 nan 8.290 nan 0.000 0.405 452 D N 0.094 120.350 120.400 -0.239 0.000 2.117 452 D HA -0.168 4.473 4.640 0.000 0.000 0.197 452 D C 1.948 178.236 176.300 -0.020 0.000 0.987 452 D CA 1.136 55.097 54.000 -0.065 0.000 0.829 452 D CB -0.204 40.641 40.800 0.076 0.000 0.961 452 D HN 0.291 nan 8.370 nan 0.000 0.460 453 K N 0.777 121.183 120.400 0.010 0.000 2.148 453 K HA -0.018 4.303 4.320 0.000 0.000 0.204 453 K C 2.004 178.680 176.600 0.127 0.000 1.050 453 K CA 0.587 56.932 56.287 0.097 0.000 0.942 453 K CB -0.246 32.323 32.500 0.115 0.000 0.724 453 K HN 0.040 nan 8.250 nan 0.000 0.446 454 A N 0.454 123.290 122.820 0.027 0.000 1.873 454 A HA -0.160 4.160 4.320 0.000 0.000 0.215 454 A C 1.947 179.659 177.584 0.214 0.000 1.186 454 A CA 1.183 53.275 52.037 0.091 0.000 0.616 454 A CB -0.624 18.273 19.000 -0.172 0.000 0.823 454 A HN 0.185 nan 8.150 nan 0.000 0.442 455 Y N -0.436 119.778 120.300 -0.143 0.000 2.242 455 Y HA -0.121 4.429 4.550 0.000 0.000 0.291 455 Y C 2.587 178.296 175.900 -0.319 0.000 1.137 455 Y CA 1.302 59.152 58.100 -0.416 0.000 1.181 455 Y CB -0.913 36.855 38.460 -1.152 0.000 0.989 455 Y HN 0.452 nan 8.280 nan 0.000 0.527 456 Q N -0.220 119.589 119.800 0.015 0.000 2.119 456 Q HA -0.181 4.160 4.340 0.000 0.000 0.201 456 Q C 2.147 178.279 176.000 0.219 0.000 0.972 456 Q CA 1.452 57.385 55.803 0.216 0.000 0.847 456 Q CB -0.837 28.057 28.738 0.261 0.000 0.903 456 Q HN 0.432 nan 8.270 nan 0.000 0.433 457 F N -0.292 119.725 119.950 0.112 0.000 2.171 457 F HA -0.152 4.376 4.527 0.000 0.000 0.300 457 F C 1.844 177.713 175.800 0.115 0.000 1.090 457 F CA 1.442 59.519 58.000 0.128 0.000 1.293 457 F CB -0.059 39.032 39.000 0.153 0.000 1.013 457 F HN 0.102 nan 8.300 nan 0.000 0.486 458 M N -0.124 119.606 119.600 0.216 0.000 2.086 458 M HA -0.195 4.285 4.480 0.000 0.000 0.261 458 M C 2.506 178.856 176.300 0.083 0.000 1.067 458 M CA 1.791 57.163 55.300 0.121 0.000 1.116 458 M CB -0.711 31.946 32.600 0.095 0.000 1.348 458 M HN 0.302 nan 8.290 nan 0.000 0.407 459 A N 0.293 123.157 122.820 0.074 0.000 1.902 459 A HA -0.192 4.129 4.320 0.000 0.000 0.217 459 A C 1.663 179.257 177.584 0.017 0.000 1.181 459 A CA 2.033 54.106 52.037 0.060 0.000 0.623 459 A CB -0.769 18.316 19.000 0.141 0.000 0.818 459 A HN 0.413 nan 8.150 nan 0.000 0.443 460 D N 0.042 120.441 120.400 -0.002 0.000 2.264 460 D HA -0.058 4.583 4.640 0.000 0.000 0.208 460 D C 0.614 176.862 176.300 -0.086 0.000 0.966 460 D CA 0.773 54.754 54.000 -0.032 0.000 0.864 460 D CB -0.198 40.581 40.800 -0.034 0.000 0.933 460 D HN 0.447 nan 8.370 nan 0.000 0.499 461 N N -0.473 118.112 118.700 -0.192 0.000 2.282 461 N HA 0.173 4.913 4.740 0.000 0.000 0.240 461 N C 0.766 175.806 175.510 -0.783 0.000 1.182 461 N CA 0.246 53.114 53.050 -0.305 0.000 0.874 461 N CB 1.601 39.880 38.487 -0.346 0.000 1.126 461 N HN 0.076 nan 8.380 nan 0.000 0.516 462 G N 0.949 109.446 108.800 -0.505 0.000 2.160 462 G HA2 -0.307 3.654 3.960 0.000 0.000 0.251 462 G HA3 -0.307 3.654 3.960 0.000 0.000 0.251 462 G C -0.507 174.137 174.900 -0.427 0.000 1.008 462 G CA 0.106 44.874 45.100 -0.555 0.000 0.724 462 G HN 0.408 nan 8.290 nan 0.000 0.514 463 Y N 0.417 120.563 120.300 -0.258 0.000 2.341 463 Y HA 0.440 4.991 4.550 0.000 0.000 0.340 463 Y C 1.125 176.954 175.900 -0.118 0.000 0.997 463 Y CA -0.425 57.573 58.100 -0.171 0.000 1.149 463 Y CB 1.262 39.631 38.460 -0.152 0.000 1.171 463 Y HN 0.260 nan 8.280 nan 0.000 0.494 464 N N -0.539 118.189 118.700 0.046 0.000 2.177 464 N HA 0.098 4.838 4.740 0.000 0.000 0.218 464 N C -0.801 174.726 175.510 0.029 0.000 1.182 464 N CA -0.168 52.896 53.050 0.023 0.000 0.882 464 N CB 0.620 39.125 38.487 0.030 0.000 1.052 464 N HN 0.316 nan 8.380 nan 0.000 0.519 465 S N -1.164 114.546 115.700 0.017 0.000 2.546 465 S HA 0.703 5.173 4.470 0.000 0.000 0.274 465 S C -1.251 173.323 174.600 -0.043 0.000 1.121 465 S CA -0.792 57.398 58.200 -0.017 0.000 0.887 465 S CB 2.041 65.209 63.200 -0.054 0.000 1.094 465 S HN 0.148 nan 8.310 nan 0.000 0.474 466 V N 1.831 121.710 119.914 -0.058 0.000 2.760 466 V HA 0.700 4.820 4.120 0.000 0.000 0.309 466 V C -1.212 174.868 176.094 -0.023 0.000 1.077 466 V CA -0.728 61.517 62.300 -0.091 0.000 0.910 466 V CB 1.916 33.630 31.823 -0.182 0.000 1.008 466 V HN 1.126 nan 8.190 nan 0.000 0.424 467 K N 4.593 124.996 120.400 0.004 0.000 2.281 467 K HA 0.645 4.965 4.320 0.000 0.000 0.272 467 K C -0.081 176.599 176.600 0.134 0.000 1.048 467 K CA -0.204 56.121 56.287 0.063 0.000 0.898 467 K CB 1.171 33.684 32.500 0.021 0.000 1.128 467 K HN 0.915 nan 8.250 nan 0.000 0.460 468 S N 2.073 117.861 115.700 0.148 0.000 2.722 468 S HA 0.848 5.318 4.470 0.000 0.000 0.292 468 S C 0.095 174.753 174.600 0.096 0.000 1.135 468 S CA -0.752 57.497 58.200 0.083 0.000 1.003 468 S CB 1.794 65.109 63.200 0.191 0.000 1.067 468 S HN 0.696 nan 8.310 nan 0.000 0.546 469 G N -0.709 108.011 108.800 -0.134 0.000 2.704 469 G HA2 0.598 4.558 3.960 0.000 0.000 0.293 469 G HA3 0.598 4.558 3.960 0.000 0.000 0.293 469 G C -2.021 172.725 174.900 -0.256 0.000 1.421 469 G CA -0.730 44.406 45.100 0.060 0.000 0.870 469 G HN 0.659 nan 8.290 nan 0.000 0.492 470 Y N 0.823 121.337 120.300 0.357 0.000 2.558 470 Y HA 0.334 4.885 4.550 0.000 0.000 0.316 470 Y C 0.239 176.391 175.900 0.421 0.000 0.967 470 Y CA -0.661 57.659 58.100 0.366 0.000 1.126 470 Y CB 1.427 40.171 38.460 0.473 0.000 1.155 470 Y HN 0.322 nan 8.280 nan 0.000 0.628 471 V N 1.912 122.075 119.914 0.415 0.000 2.455 471 V HA 0.736 4.856 4.120 0.000 0.000 0.273 471 V C 0.698 176.869 176.094 0.127 0.000 1.045 471 V CA 0.473 62.972 62.300 0.333 0.000 0.976 471 V CB 0.449 32.542 31.823 0.450 0.000 0.993 471 V HN 0.789 nan 8.190 nan 0.000 0.475 472 G N 4.586 113.438 108.800 0.086 0.000 2.423 472 G HA2 -0.120 3.840 3.960 0.000 0.000 0.684 472 G HA3 -0.120 3.840 3.960 0.000 0.000 0.684 472 G C -0.820 174.149 174.900 0.114 0.000 1.309 472 G CA -0.916 44.152 45.100 -0.054 0.000 0.950 472 G HN 0.696 nan 8.290 nan 0.000 0.587 473 N N 0.122 118.834 118.700 0.020 0.000 2.513 473 N HA 0.385 5.125 4.740 0.000 0.000 0.268 473 N C 0.964 176.456 175.510 -0.030 0.000 1.180 473 N CA -0.690 52.388 53.050 0.047 0.000 0.948 473 N CB 0.709 39.196 38.487 -0.001 0.000 1.083 473 N HN 0.460 nan 8.380 nan 0.000 0.455 474 I N 2.629 123.134 120.570 -0.109 0.000 2.815 474 I HA -0.042 4.128 4.170 0.000 0.000 0.291 474 I C 0.405 176.462 176.117 -0.099 0.000 1.209 474 I CA 0.687 61.895 61.300 -0.153 0.000 1.431 474 I CB -0.249 37.617 38.000 -0.222 0.000 1.351 474 I HN 0.469 nan 8.210 nan 0.000 0.585 475 I N 7.349 127.880 120.570 -0.064 0.000 2.447 475 I HA 0.240 4.410 4.170 0.000 0.000 0.287 475 I C -2.167 173.935 176.117 -0.025 0.000 1.023 475 I CA -1.987 59.281 61.300 -0.054 0.000 1.083 475 I CB 2.257 40.237 38.000 -0.032 0.000 1.245 475 I HN 0.334 nan 8.210 nan 0.000 0.434 476 P HA -0.038 nan 4.420 nan 0.000 0.258 476 P C -0.734 176.471 177.300 -0.158 0.000 1.172 476 P CA 0.171 63.197 63.100 -0.122 0.000 0.762 476 P CB 0.285 31.857 31.700 -0.212 0.000 0.764 477 R N 2.650 123.067 120.500 -0.139 0.000 2.449 477 R HA 0.359 4.699 4.340 0.000 0.000 0.296 477 R C 1.492 177.689 176.300 -0.172 0.000 1.047 477 R CA 0.614 56.632 56.100 -0.137 0.000 1.018 477 R CB -0.205 30.033 30.300 -0.103 0.000 0.962 477 R HN 0.832 nan 8.270 nan 0.000 0.428 478 G N 1.695 110.375 108.800 -0.199 0.000 2.428 478 G HA2 -0.180 3.780 3.960 0.000 0.000 0.199 478 G HA3 -0.180 3.780 3.960 0.000 0.000 0.199 478 G C 0.035 174.718 174.900 -0.362 0.000 1.005 478 G CA -0.584 44.375 45.100 -0.234 0.000 0.671 478 G HN 0.478 nan 8.290 nan 0.000 0.485 479 E N 1.123 121.119 120.200 -0.341 0.000 2.318 479 E HA 0.533 4.884 4.350 0.000 0.000 0.265 479 E C -0.196 176.173 176.600 -0.386 0.000 1.069 479 E CA -0.289 55.910 56.400 -0.334 0.000 0.893 479 E CB 0.618 30.185 29.700 -0.221 0.000 1.076 479 E HN 0.515 nan 8.360 nan 0.000 0.414 480 H N 0.231 119.304 119.070 0.005 0.000 2.651 480 H HA 0.182 4.738 4.556 0.000 0.000 0.353 480 H C 0.713 176.058 175.328 0.028 0.000 1.178 480 H CA -0.425 55.655 56.048 0.053 0.000 1.224 480 H CB 0.961 30.792 29.762 0.115 0.000 1.702 480 H HN 0.541 nan 8.280 nan 0.000 0.550 481 H N 0.639 119.720 119.070 0.019 0.000 2.422 481 H HA -0.124 4.432 4.556 0.001 0.000 0.298 481 H C 0.388 175.838 175.328 0.203 0.000 1.098 481 H CA 1.665 57.696 56.048 -0.028 0.000 1.315 481 H CB 0.162 29.728 29.762 -0.327 0.000 1.382 481 H HN 0.446 nan 8.280 nan 0.000 0.523 482 Y N -0.731 119.875 120.300 0.510 0.000 2.607 482 Y HA 0.362 4.912 4.550 0.000 0.000 0.266 482 Y C 1.407 177.493 175.900 0.310 0.000 1.178 482 Y CA -0.515 57.842 58.100 0.428 0.000 1.226 482 Y CB -0.331 38.394 38.460 0.442 0.000 1.144 482 Y HN 0.041 nan 8.280 nan 0.000 0.528 483 G N 0.005 109.015 108.800 0.350 0.000 2.616 483 G HA2 0.053 4.013 3.960 0.000 0.000 0.268 483 G HA3 0.053 4.013 3.960 0.000 0.000 0.268 483 G C 0.884 175.910 174.900 0.209 0.000 1.213 483 G CA -0.330 44.907 45.100 0.229 0.000 0.926 483 G HN 0.316 nan 8.290 nan 0.000 0.523 484 Q N -0.828 119.062 119.800 0.149 0.000 2.135 484 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 484 Q C 1.975 178.062 176.000 0.144 0.000 0.981 484 Q CA 1.561 57.442 55.803 0.131 0.000 0.856 484 Q CB -0.158 28.632 28.738 0.086 0.000 0.902 484 Q HN 0.804 nan 8.270 nan 0.000 0.425 485 W N 0.244 121.527 121.300 -0.028 0.000 2.333 485 W HA -0.233 4.427 4.660 0.000 0.000 0.316 485 W C 1.645 178.105 176.519 -0.098 0.000 1.215 485 W CA 1.100 58.401 57.345 -0.074 0.000 1.278 485 W CB -0.112 29.287 29.460 -0.102 0.000 1.154 485 W HN 0.284 nan 8.180 nan 0.000 0.486 486 M N 0.835 120.473 119.600 0.062 0.000 2.254 486 M HA -0.163 4.318 4.480 0.000 0.000 0.265 486 M C 1.529 177.593 176.300 -0.394 0.000 1.066 486 M CA 1.211 56.360 55.300 -0.253 0.000 1.123 486 M CB -1.813 30.675 32.600 -0.186 0.000 1.388 486 M HN -0.008 nan 8.290 nan 0.000 0.425 487 N N 0.921 119.621 118.700 0.001 0.000 2.166 487 N HA -0.166 4.574 4.740 0.000 0.000 0.186 487 N C 1.465 176.997 175.510 0.036 0.000 1.019 487 N CA 0.991 54.142 53.050 0.170 0.000 0.856 487 N CB -0.681 37.941 38.487 0.225 0.000 0.993 487 N HN 0.442 nan 8.380 nan 0.000 0.426 488 N N 0.844 119.497 118.700 -0.078 0.000 2.084 488 N HA -0.203 4.537 4.740 0.000 0.000 0.190 488 N C 1.735 177.149 175.510 -0.159 0.000 1.030 488 N CA 1.268 54.238 53.050 -0.133 0.000 0.849 488 N CB -0.288 38.039 38.487 -0.266 0.000 1.012 488 N HN 0.370 nan 8.380 nan 0.000 0.423 489 H N -0.235 118.623 119.070 -0.353 0.000 2.290 489 H HA -0.138 4.418 4.556 0.000 0.000 0.298 489 H C 1.535 176.836 175.328 -0.044 0.000 1.087 489 H CA 2.267 58.156 56.048 -0.265 0.000 1.291 489 H CB -0.542 28.976 29.762 -0.407 0.000 1.369 489 H HN 0.224 nan 8.280 nan 0.000 0.492 490 Y N -0.427 119.816 120.300 -0.095 0.000 2.165 490 Y HA -0.152 4.399 4.550 0.001 0.000 0.286 490 Y C 2.559 178.422 175.900 -0.063 0.000 1.155 490 Y CA 1.161 59.219 58.100 -0.071 0.000 1.164 490 Y CB -0.932 37.563 38.460 0.058 0.000 0.978 490 Y HN 0.292 nan 8.280 nan 0.000 0.513 491 L N -1.170 120.112 121.223 0.099 0.000 2.109 491 L HA -0.159 4.182 4.340 0.000 0.000 0.207 491 L C 2.233 179.069 176.870 -0.058 0.000 1.086 491 L CA 1.412 56.258 54.840 0.010 0.000 0.760 491 L CB -1.119 40.951 42.059 0.019 0.000 0.910 491 L HN 0.293 nan 8.230 nan 0.000 0.437 492 Y N 0.305 120.498 120.300 -0.178 0.000 2.165 492 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 492 Y C 2.344 178.158 175.900 -0.143 0.000 1.155 492 Y CA 1.793 59.786 58.100 -0.177 0.000 1.164 492 Y CB -0.584 37.750 38.460 -0.210 0.000 0.978 492 Y HN 0.217 nan 8.280 nan 0.000 0.513 493 A N -0.684 122.011 122.820 -0.208 0.000 1.933 493 A HA -0.128 4.192 4.320 0.000 0.000 0.218 493 A C 2.347 179.932 177.584 0.002 0.000 1.175 493 A CA 1.962 53.914 52.037 -0.142 0.000 0.628 493 A CB -1.263 17.728 19.000 -0.015 0.000 0.814 493 A HN 0.347 nan 8.150 nan 0.000 0.444 494 V N 0.054 119.956 119.914 -0.021 0.000 2.379 494 V HA -0.231 3.889 4.120 0.000 0.000 0.245 494 V C 2.427 178.455 176.094 -0.110 0.000 1.044 494 V CA 2.256 64.545 62.300 -0.018 0.000 1.036 494 V CB -0.601 31.212 31.823 -0.017 0.000 0.664 494 V HN 0.536 nan 8.190 nan 0.000 0.453 495 K N 0.075 120.326 120.400 -0.249 0.000 2.057 495 K HA -0.194 4.126 4.320 0.000 0.000 0.206 495 K C 2.279 178.817 176.600 -0.104 0.000 1.050 495 K CA 1.375 57.512 56.287 -0.250 0.000 0.935 495 K CB -0.184 32.140 32.500 -0.293 0.000 0.715 495 K HN 0.321 nan 8.250 nan 0.000 0.439 496 K N 0.968 121.277 120.400 -0.151 0.000 2.097 496 K HA -0.095 4.226 4.320 0.000 0.000 0.205 496 K C 2.120 178.785 176.600 0.110 0.000 1.050 496 K CA 1.102 57.371 56.287 -0.030 0.000 0.938 496 K CB -0.061 32.349 32.500 -0.150 0.000 0.718 496 K HN 0.104 nan 8.250 nan 0.000 0.442 497 A N 1.162 123.961 122.820 -0.033 0.000 1.933 497 A HA -0.122 4.198 4.320 0.000 0.000 0.218 497 A C 2.299 179.822 177.584 -0.101 0.000 1.175 497 A CA 1.846 53.663 52.037 -0.365 0.000 0.628 497 A CB -0.723 18.073 19.000 -0.340 0.000 0.814 497 A HN 0.475 nan 8.150 nan 0.000 0.444 498 A N 0.010 122.864 122.820 0.058 0.000 1.972 498 A HA -0.187 4.133 4.320 0.000 0.000 0.219 498 A C 1.676 179.261 177.584 0.002 0.000 1.169 498 A CA 1.805 53.959 52.037 0.196 0.000 0.635 498 A CB -0.528 18.668 19.000 0.326 0.000 0.810 498 A HN 0.469 nan 8.150 nan 0.000 0.446 499 D N -1.633 118.758 120.400 -0.015 0.000 2.264 499 D HA -0.103 4.537 4.640 0.000 0.000 0.208 499 D C 0.791 176.915 176.300 -0.293 0.000 0.966 499 D CA 1.107 55.029 54.000 -0.129 0.000 0.864 499 D CB -0.215 40.506 40.800 -0.131 0.000 0.933 499 D HN 0.685 nan 8.370 nan 0.000 0.499 500 Y N 0.184 120.323 120.300 -0.268 0.000 2.458 500 Y HA 0.162 4.712 4.550 0.001 0.000 0.256 500 Y C 0.377 175.986 175.900 -0.485 0.000 1.159 500 Y CA -0.206 57.713 58.100 -0.302 0.000 1.261 500 Y CB 0.298 38.596 38.460 -0.270 0.000 1.119 500 Y HN -0.269 nan 8.280 nan 0.000 0.524 501 K N 0.791 120.788 120.400 -0.671 0.000 3.150 501 K HA -0.205 4.116 4.320 0.000 0.000 0.267 501 K C -0.821 175.280 176.600 -0.832 0.000 1.028 501 K CA 0.507 55.853 56.287 -1.568 0.000 0.753 501 K CB -1.875 29.821 32.500 -1.340 0.000 1.288 501 K HN 0.344 nan 8.250 nan 0.000 0.473 502 I N 0.950 121.297 120.570 -0.371 0.000 2.474 502 I HA 0.320 4.490 4.170 0.000 0.000 0.294 502 I C 0.519 176.746 176.117 0.183 0.000 1.005 502 I CA -0.886 60.362 61.300 -0.086 0.000 1.113 502 I CB 1.585 39.395 38.000 -0.316 0.000 1.289 502 I HN 0.036 nan 8.210 nan 0.000 0.436 503 M N 5.395 125.119 119.600 0.207 0.000 2.277 503 M HA 0.474 4.954 4.480 0.000 0.000 0.350 503 M C -0.853 175.495 176.300 0.080 0.000 1.180 503 M CA -0.691 54.721 55.300 0.185 0.000 1.103 503 M CB 1.878 34.551 32.600 0.123 0.000 1.577 503 M HN 0.226 nan 8.290 nan 0.000 0.459 504 V N 2.423 122.398 119.914 0.102 0.000 2.604 504 V HA 0.425 4.545 4.120 0.000 0.000 0.305 504 V C -0.660 175.500 176.094 0.110 0.000 1.043 504 V CA -0.778 61.588 62.300 0.110 0.000 0.888 504 V CB 1.973 33.893 31.823 0.161 0.000 0.995 504 V HN 0.864 nan 8.190 nan 0.000 0.429 505 N N 3.179 121.950 118.700 0.117 0.000 2.623 505 N HA 0.561 5.302 4.740 0.000 0.000 0.256 505 N C -0.668 174.996 175.510 0.257 0.000 1.045 505 N CA -0.209 52.929 53.050 0.146 0.000 0.863 505 N CB 1.596 40.127 38.487 0.073 0.000 1.182 505 N HN 0.862 nan 8.380 nan 0.000 0.523 506 A N 3.649 126.647 122.820 0.297 0.000 2.280 506 A HA 0.340 4.660 4.320 0.000 0.000 0.320 506 A C -0.332 177.518 177.584 0.443 0.000 1.366 506 A CA -0.525 51.744 52.037 0.387 0.000 0.938 506 A CB -0.091 19.128 19.000 0.364 0.000 1.157 506 A HN 0.798 nan 8.150 nan 0.000 0.536 507 H N 1.172 120.427 119.070 0.308 0.000 2.551 507 H HA 0.195 4.751 4.556 0.000 0.000 0.358 507 H C 0.190 175.764 175.328 0.411 0.000 1.151 507 H CA 0.229 56.468 56.048 0.318 0.000 1.374 507 H CB 0.819 30.780 29.762 0.332 0.000 1.473 507 H HN 0.930 nan 8.280 nan 0.000 0.574 508 E N -1.541 118.912 120.200 0.421 0.000 3.799 508 E HA -0.225 4.125 4.350 0.000 0.000 0.320 508 E C -0.236 176.577 176.600 0.355 0.000 0.760 508 E CA 0.789 57.433 56.400 0.406 0.000 1.153 508 E CB -1.124 28.899 29.700 0.537 0.000 1.589 508 E HN 0.695 nan 8.360 nan 0.000 0.448 509 A N 0.138 123.023 122.820 0.109 0.000 2.296 509 A HA 0.536 4.857 4.320 0.000 0.000 0.264 509 A C 0.609 178.098 177.584 -0.158 0.000 1.097 509 A CA 0.288 52.017 52.037 -0.514 0.000 0.811 509 A CB 0.442 18.942 19.000 -0.834 0.000 1.072 509 A HN 0.069 nan 8.150 nan 0.000 0.495 510 T N 1.517 115.945 114.554 -0.210 0.000 2.934 510 T HA 0.298 4.648 4.350 0.000 0.000 0.306 510 T C 0.599 175.243 174.700 -0.093 0.000 1.042 510 T CA 0.268 62.352 62.100 -0.027 0.000 1.145 510 T CB -0.091 68.898 68.868 0.201 0.000 0.982 510 T HN 0.726 nan 8.240 nan 0.000 0.544 511 R N 4.215 124.629 120.500 -0.143 0.000 2.640 511 R HA 0.213 4.553 4.340 0.000 0.000 0.270 511 R C -2.450 173.880 176.300 0.051 0.000 1.024 511 R CA -1.151 54.936 56.100 -0.021 0.000 1.085 511 R CB -0.840 29.457 30.300 -0.005 0.000 0.963 511 R HN 0.302 nan 8.270 nan 0.000 0.426 512 P HA 0.004 nan 4.420 nan 0.000 0.269 512 P C -0.449 176.939 177.300 0.147 0.000 1.209 512 P CA -0.131 63.043 63.100 0.122 0.000 0.776 512 P CB 0.964 32.749 31.700 0.142 0.000 0.876 513 T N -2.788 111.822 114.554 0.093 0.000 3.516 513 T HA 0.465 4.815 4.350 0.000 0.000 0.300 513 T C 0.931 175.643 174.700 0.020 0.000 0.995 513 T CA 0.131 62.238 62.100 0.011 0.000 0.982 513 T CB -0.732 68.091 68.868 -0.076 0.000 1.199 513 T HN 0.690 nan 8.240 nan 0.000 0.481 514 G N 1.627 110.468 108.800 0.070 0.000 2.157 514 G HA2 -0.254 3.706 3.960 0.000 0.000 0.248 514 G HA3 -0.254 3.706 3.960 0.000 0.000 0.248 514 G C 0.731 175.658 174.900 0.044 0.000 0.979 514 G CA 0.161 45.291 45.100 0.050 0.000 0.650 514 G HN 0.609 nan 8.290 nan 0.000 0.529 515 I N 1.248 121.869 120.570 0.085 0.000 2.756 515 I HA -0.186 3.984 4.170 0.000 0.000 0.262 515 I C 3.038 179.232 176.117 0.127 0.000 1.225 515 I CA 1.317 62.686 61.300 0.115 0.000 1.472 515 I CB -0.530 37.575 38.000 0.176 0.000 1.094 515 I HN 0.629 nan 8.210 nan 0.000 0.454 516 C N 0.143 119.518 119.300 0.126 0.000 2.419 516 C HA -0.125 4.336 4.460 0.000 0.000 0.283 516 C C 2.843 177.792 174.990 -0.068 0.000 1.373 516 C CA 0.342 59.428 59.018 0.115 0.000 1.781 516 C CB -1.522 26.332 27.740 0.189 0.000 1.886 516 C HN 0.523 nan 8.230 nan 0.000 0.520 517 R N 1.481 121.921 120.500 -0.099 0.000 2.081 517 R HA -0.113 4.227 4.340 0.000 0.000 0.235 517 R C 2.094 178.245 176.300 -0.248 0.000 1.131 517 R CA 2.187 58.173 56.100 -0.191 0.000 0.960 517 R CB -0.532 29.615 30.300 -0.256 0.000 0.856 517 R HN 0.612 nan 8.270 nan 0.000 0.436 518 T N -0.814 113.601 114.554 -0.231 0.000 2.896 518 T HA -0.066 4.284 4.350 0.000 0.000 0.263 518 T C -0.152 174.174 174.700 -0.623 0.000 1.050 518 T CA 1.066 62.918 62.100 -0.413 0.000 1.140 518 T CB -0.035 68.612 68.868 -0.368 0.000 0.877 518 T HN 0.196 nan 8.240 nan 0.000 0.457 519 Y N 0.455 120.753 120.300 -0.005 0.000 2.787 519 Y HA 0.360 4.911 4.550 0.000 0.000 0.352 519 Y C -2.299 173.636 175.900 0.059 0.000 1.027 519 Y CA -2.946 55.177 58.100 0.039 0.000 1.219 519 Y CB 1.431 39.939 38.460 0.080 0.000 1.110 519 Y HN 0.051 nan 8.280 nan 0.000 0.614 520 P HA -0.145 nan 4.420 nan 0.000 0.229 520 P C 1.036 178.529 177.300 0.322 0.000 1.150 520 P CA 1.272 64.434 63.100 0.104 0.000 0.765 520 P CB 0.278 31.914 31.700 -0.108 0.000 0.783 521 N N -0.279 118.544 118.700 0.206 0.000 2.515 521 N HA -0.070 4.670 4.740 0.000 0.000 0.185 521 N C 0.479 176.135 175.510 0.243 0.000 1.109 521 N CA 0.274 53.438 53.050 0.190 0.000 0.903 521 N CB -0.623 38.040 38.487 0.293 0.000 0.969 521 N HN 0.150 nan 8.380 nan 0.000 0.450 522 L N 2.353 123.758 121.223 0.304 0.000 2.375 522 L HA 0.258 4.598 4.340 0.000 0.000 0.276 522 L C 1.036 178.091 176.870 0.309 0.000 1.162 522 L CA -0.354 54.647 54.840 0.269 0.000 0.991 522 L CB -0.302 41.921 42.059 0.272 0.000 1.315 522 L HN 0.202 nan 8.230 nan 0.000 0.431 523 I N 0.526 121.164 120.570 0.113 0.000 3.684 523 I HA 0.531 4.701 4.170 0.000 0.000 0.304 523 I C 0.740 176.756 176.117 -0.168 0.000 1.278 523 I CA 0.200 61.384 61.300 -0.193 0.000 1.272 523 I CB -0.436 37.337 38.000 -0.378 0.000 1.029 523 I HN 0.570 nan 8.210 nan 0.000 0.458 524 G N 0.493 109.304 108.800 0.019 0.000 2.387 524 G HA2 0.478 4.438 3.960 0.000 0.000 0.294 524 G HA3 0.478 4.438 3.960 0.000 0.000 0.294 524 G C -2.124 172.844 174.900 0.114 0.000 1.509 524 G CA -0.848 44.277 45.100 0.042 0.000 0.806 524 G HN 0.289 nan 8.290 nan 0.000 0.546 525 N N -1.167 117.593 118.700 0.099 0.000 2.708 525 N HA 0.411 5.152 4.740 0.000 0.000 0.257 525 N C 0.405 175.909 175.510 -0.010 0.000 1.373 525 N CA -0.766 52.341 53.050 0.094 0.000 0.843 525 N CB 3.128 41.663 38.487 0.079 0.000 1.503 525 N HN 0.623 nan 8.380 nan 0.000 0.504 526 E N 0.113 120.225 120.200 -0.147 0.000 2.068 526 E HA 0.166 4.516 4.350 0.000 0.000 0.201 526 E C -0.453 176.133 176.600 -0.024 0.000 0.947 526 E CA 0.439 56.685 56.400 -0.256 0.000 0.909 526 E CB 0.113 29.427 29.700 -0.643 0.000 1.015 526 E HN 0.510 nan 8.360 nan 0.000 0.484 527 S N -0.076 115.639 115.700 0.025 0.000 3.614 527 S HA -0.155 4.316 4.470 0.000 0.000 0.360 527 S C -0.341 174.307 174.600 0.081 0.000 1.023 527 S CA 0.456 58.699 58.200 0.071 0.000 1.114 527 S CB -1.884 61.340 63.200 0.041 0.000 0.907 527 S HN 0.698 nan 8.310 nan 0.000 0.470 528 A N -0.020 122.863 122.820 0.106 0.000 2.490 528 A HA 0.716 5.036 4.320 0.000 0.000 0.292 528 A C -0.496 177.186 177.584 0.163 0.000 1.047 528 A CA -0.807 51.315 52.037 0.141 0.000 0.632 528 A CB 0.695 19.807 19.000 0.187 0.000 1.323 528 A HN 0.300 nan 8.150 nan 0.000 0.448 529 R N 0.445 121.063 120.500 0.197 0.000 2.288 529 R HA 0.434 4.774 4.340 0.000 0.000 0.330 529 R C 0.550 177.087 176.300 0.395 0.000 1.069 529 R CA 0.870 57.036 56.100 0.110 0.000 0.941 529 R CB 0.266 30.502 30.300 -0.106 0.000 0.998 529 R HN 1.033 nan 8.270 nan 0.000 0.452 530 G N 1.109 110.100 108.800 0.319 0.000 2.642 530 G HA2 0.062 4.022 3.960 0.000 0.000 0.291 530 G HA3 0.062 4.022 3.960 0.000 0.000 0.291 530 G C 0.558 175.413 174.900 -0.075 0.000 1.345 530 G CA -0.448 44.723 45.100 0.119 0.000 1.043 530 G HN 0.551 nan 8.290 nan 0.000 0.528 531 T N 0.086 114.336 114.554 -0.507 0.000 2.849 531 T HA -0.142 4.208 4.350 0.000 0.000 0.270 531 T C 2.215 176.966 174.700 0.084 0.000 1.066 531 T CA 1.949 63.888 62.100 -0.268 0.000 1.130 531 T CB -0.263 68.405 68.868 -0.333 0.000 0.864 531 T HN 0.785 nan 8.240 nan 0.000 0.481 532 E N 0.248 120.578 120.200 0.216 0.000 2.171 532 E HA -0.228 4.122 4.350 0.000 0.000 0.197 532 E C 1.420 177.633 176.600 -0.646 0.000 0.997 532 E CA 1.390 57.780 56.400 -0.016 0.000 0.810 532 E CB -0.653 29.141 29.700 0.158 0.000 0.738 532 E HN 0.567 nan 8.360 nan 0.000 0.467 533 Y N 1.434 121.569 120.300 -0.275 0.000 2.571 533 Y HA -0.007 4.543 4.550 0.000 0.000 0.294 533 Y C 1.905 177.720 175.900 -0.142 0.000 1.141 533 Y CA 0.884 58.862 58.100 -0.203 0.000 1.308 533 Y CB 0.214 38.713 38.460 0.065 0.000 1.002 533 Y HN 0.059 nan 8.280 nan 0.000 0.551 534 E N -1.054 119.149 120.200 0.005 0.000 2.418 534 E HA -0.119 4.231 4.350 0.000 0.000 0.197 534 E C 1.903 178.519 176.600 0.027 0.000 1.026 534 E CA 0.778 57.214 56.400 0.060 0.000 0.862 534 E CB 0.062 29.829 29.700 0.112 0.000 0.799 534 E HN 0.249 nan 8.360 nan 0.000 0.518 535 S N -0.913 114.675 115.700 -0.185 0.000 2.524 535 S HA 0.126 4.596 4.470 0.000 0.000 0.215 535 S C 0.793 175.359 174.600 -0.057 0.000 0.986 535 S CA -0.431 57.607 58.200 -0.270 0.000 0.911 535 S CB 0.057 62.847 63.200 -0.683 0.000 0.805 535 S HN 0.159 nan 8.310 nan 0.000 0.501 536 F N 0.938 120.860 119.950 -0.046 0.000 2.750 536 F HA 0.421 4.948 4.527 0.000 0.000 0.297 536 F C 1.670 177.498 175.800 0.046 0.000 1.138 536 F CA -0.191 57.782 58.000 -0.045 0.000 1.346 536 F CB 0.864 39.777 39.000 -0.144 0.000 0.965 536 F HN 0.398 nan 8.300 nan 0.000 0.514 537 G N 0.049 108.968 108.800 0.197 0.000 2.380 537 G HA2 0.131 4.092 3.960 0.000 0.000 0.197 537 G HA3 0.131 4.092 3.960 0.000 0.000 0.197 537 G C 0.375 175.345 174.900 0.116 0.000 1.001 537 G CA -0.297 44.894 45.100 0.151 0.000 0.668 537 G HN 1.040 nan 8.290 nan 0.000 0.483 538 G N -0.575 108.293 108.800 0.114 0.000 2.570 538 G HA2 0.318 4.278 3.960 0.000 0.000 0.686 538 G HA3 0.318 4.278 3.960 0.000 0.000 0.686 538 G C -0.969 173.940 174.900 0.015 0.000 1.257 538 G CA 0.028 45.159 45.100 0.052 0.000 0.846 538 G HN 0.985 nan 8.290 nan 0.000 0.627 539 N N 0.152 118.819 118.700 -0.056 0.000 2.443 539 N HA 0.474 5.214 4.740 0.000 0.000 0.293 539 N C 0.238 175.618 175.510 -0.218 0.000 1.159 539 N CA -0.610 52.349 53.050 -0.151 0.000 0.904 539 N CB 1.344 39.739 38.487 -0.154 0.000 1.214 539 N HN 0.669 nan 8.380 nan 0.000 0.513 540 K N 0.374 120.617 120.400 -0.262 0.000 2.414 540 K HA 0.062 4.382 4.320 0.000 0.000 0.272 540 K C 1.007 177.370 176.600 -0.394 0.000 0.993 540 K CA -0.271 55.771 56.287 -0.408 0.000 0.964 540 K CB 0.693 32.818 32.500 -0.626 0.000 0.925 540 K HN 0.206 nan 8.250 nan 0.000 0.487 541 V N 2.549 122.144 119.914 -0.533 0.000 2.380 541 V HA -0.282 3.839 4.120 0.000 0.000 0.251 541 V C 1.663 177.665 176.094 -0.153 0.000 1.063 541 V CA 1.746 63.776 62.300 -0.451 0.000 1.055 541 V CB -0.847 30.666 31.823 -0.517 0.000 0.657 541 V HN 0.758 nan 8.190 nan 0.000 0.455 542 Y N -1.247 119.030 120.300 -0.037 0.000 2.490 542 Y HA 0.220 4.770 4.550 0.000 0.000 0.281 542 Y C 2.049 177.963 175.900 0.023 0.000 1.174 542 Y CA -0.155 57.944 58.100 -0.003 0.000 1.295 542 Y CB -1.688 36.783 38.460 0.018 0.000 1.062 542 Y HN 0.334 nan 8.280 nan 0.000 0.522 543 H N 2.220 121.435 119.070 0.242 0.000 2.289 543 H HA -0.196 4.360 4.556 0.000 0.000 0.294 543 H C 1.987 177.327 175.328 0.020 0.000 1.095 543 H CA 3.057 59.220 56.048 0.193 0.000 1.256 543 H CB -0.456 29.388 29.762 0.138 0.000 1.359 543 H HN 0.455 nan 8.280 nan 0.000 0.487 544 T N -2.907 111.605 114.554 -0.070 0.000 3.163 544 T HA -0.076 4.274 4.350 0.000 0.000 0.260 544 T C 1.671 176.242 174.700 -0.215 0.000 1.156 544 T CA 1.045 62.984 62.100 -0.269 0.000 1.072 544 T CB -0.630 68.085 68.868 -0.254 0.000 0.937 544 T HN 0.549 nan 8.240 nan 0.000 0.528 545 T N -1.490 112.989 114.554 -0.124 0.000 3.107 545 T HA 0.394 4.744 4.350 0.000 0.000 0.249 545 T C 1.522 176.128 174.700 -0.157 0.000 1.096 545 T CA -0.248 61.779 62.100 -0.122 0.000 1.012 545 T CB -0.389 68.430 68.868 -0.082 0.000 0.977 545 T HN 0.481 nan 8.240 nan 0.000 0.527 546 I N -0.369 120.051 120.570 -0.251 0.000 3.565 546 I HA 0.241 4.411 4.170 0.000 0.000 0.287 546 I C 2.107 177.971 176.117 -0.422 0.000 1.193 546 I CA -0.019 61.045 61.300 -0.393 0.000 1.402 546 I CB 0.062 37.706 38.000 -0.593 0.000 1.284 546 I HN 0.099 nan 8.210 nan 0.000 0.454 547 L N 1.682 122.624 121.223 -0.468 0.000 2.051 547 L HA -0.190 4.151 4.340 0.000 0.000 0.214 547 L C -0.510 176.181 176.870 -0.298 0.000 1.076 547 L CA 1.992 56.597 54.840 -0.391 0.000 0.758 547 L CB -1.889 39.907 42.059 -0.437 0.000 0.890 547 L HN 0.196 nan 8.230 nan 0.000 0.433 548 P HA -0.148 nan 4.420 nan 0.000 0.220 548 P C 1.243 178.263 177.300 -0.467 0.000 1.148 548 P CA 1.372 64.239 63.100 -0.389 0.000 0.803 548 P CB 0.010 31.418 31.700 -0.488 0.000 0.782 549 F N -1.154 118.581 119.950 -0.359 0.000 2.743 549 F HA 0.016 4.544 4.527 0.000 0.000 0.297 549 F C 2.000 177.609 175.800 -0.318 0.000 1.131 549 F CA 1.193 58.971 58.000 -0.370 0.000 1.426 549 F CB -0.723 37.991 39.000 -0.476 0.000 1.116 549 F HN 0.017 nan 8.300 nan 0.000 0.583 550 T N -2.963 111.504 114.554 -0.146 0.000 3.409 550 T HA 0.139 4.489 4.350 0.000 0.000 0.188 550 T C 1.858 176.473 174.700 -0.141 0.000 0.929 550 T CA 0.062 62.080 62.100 -0.137 0.000 1.184 550 T CB -0.366 68.449 68.868 -0.087 0.000 1.570 550 T HN -0.132 nan 8.240 nan 0.000 0.367 551 R N 1.560 122.025 120.500 -0.058 0.000 2.103 551 R HA 0.115 4.455 4.340 0.000 0.000 0.242 551 R C 2.300 178.579 176.300 -0.035 0.000 1.142 551 R CA 1.694 57.784 56.100 -0.016 0.000 0.960 551 R CB -1.631 28.695 30.300 0.042 0.000 0.858 551 R HN 0.619 nan 8.270 nan 0.000 0.439 552 L N 0.418 121.599 121.223 -0.070 0.000 2.362 552 L HA 0.026 4.367 4.340 0.000 0.000 0.219 552 L C 0.244 177.110 176.870 -0.008 0.000 1.134 552 L CA 0.053 54.878 54.840 -0.025 0.000 0.807 552 L CB -0.208 41.820 42.059 -0.053 0.000 0.927 552 L HN -0.052 nan 8.230 nan 0.000 0.447 553 V N 1.293 121.165 119.914 -0.070 0.000 2.403 553 V HA 0.304 4.425 4.120 0.000 0.000 0.265 553 V C 1.146 177.301 176.094 0.100 0.000 1.034 553 V CA 0.955 63.231 62.300 -0.040 0.000 1.036 553 V CB 0.075 31.821 31.823 -0.127 0.000 1.032 553 V HN 0.605 nan 8.190 nan 0.000 0.478 554 G N 3.297 112.175 108.800 0.129 0.000 2.296 554 G HA2 0.221 4.181 3.960 0.000 0.000 0.188 554 G HA3 0.221 4.181 3.960 0.000 0.000 0.188 554 G C 0.366 175.365 174.900 0.164 0.000 1.000 554 G CA -0.223 44.979 45.100 0.170 0.000 0.672 554 G HN 1.779 nan 8.290 nan 0.000 0.483 555 G N -0.469 108.438 108.800 0.178 0.000 2.358 555 G HA2 0.610 4.570 3.960 0.000 0.000 0.301 555 G HA3 0.610 4.570 3.960 0.000 0.000 0.301 555 G C -3.253 171.782 174.900 0.226 0.000 1.539 555 G CA 0.178 45.423 45.100 0.242 0.000 0.893 555 G HN 0.530 nan 8.290 nan 0.000 0.636 556 P HA 0.397 nan 4.420 nan 0.000 0.272 556 P C -0.389 176.940 177.300 0.048 0.000 1.240 556 P CA -0.238 62.925 63.100 0.106 0.000 0.791 556 P CB 1.228 32.891 31.700 -0.062 0.000 0.978 557 M N 1.242 120.845 119.600 0.005 0.000 2.465 557 M HA 0.275 4.755 4.480 0.000 0.000 0.316 557 M C -0.826 175.494 176.300 0.034 0.000 1.121 557 M CA -0.688 54.632 55.300 0.033 0.000 0.934 557 M CB 1.678 34.313 32.600 0.059 0.000 1.692 557 M HN 0.099 nan 8.290 nan 0.000 0.444 558 D N 2.694 123.126 120.400 0.053 0.000 2.522 558 D HA 0.055 4.695 4.640 0.000 0.000 0.218 558 D C 0.068 176.428 176.300 0.100 0.000 1.149 558 D CA 0.145 54.201 54.000 0.093 0.000 0.981 558 D CB 0.003 40.916 40.800 0.188 0.000 1.041 558 D HN 0.561 nan 8.370 nan 0.000 0.518 559 Y N 2.877 123.159 120.300 -0.030 0.000 2.516 559 Y HA -0.007 4.544 4.550 0.000 0.000 0.291 559 Y C 1.057 176.946 175.900 -0.019 0.000 1.131 559 Y CA 1.406 59.499 58.100 -0.012 0.000 1.281 559 Y CB -0.239 38.194 38.460 -0.045 0.000 1.013 559 Y HN 0.440 nan 8.280 nan 0.000 0.554 560 T N -0.560 113.937 114.554 -0.095 0.000 3.580 560 T HA -0.144 4.207 4.350 0.000 0.000 0.402 560 T C -2.361 172.224 174.700 -0.192 0.000 0.765 560 T CA 0.205 62.174 62.100 -0.218 0.000 2.064 560 T CB -2.034 66.590 68.868 -0.407 0.000 1.724 560 T HN 0.360 nan 8.240 nan 0.000 0.719 561 P HA 0.573 nan 4.420 nan 0.000 0.297 561 P C 1.259 178.556 177.300 -0.005 0.000 1.303 561 P CA 0.928 63.974 63.100 -0.089 0.000 0.753 561 P CB 0.141 31.701 31.700 -0.234 0.000 1.281 562 G N -1.397 107.480 108.800 0.128 0.000 2.131 562 G HA2 -0.132 3.828 3.960 0.000 0.000 0.201 562 G HA3 -0.132 3.828 3.960 0.000 0.000 0.201 562 G C -0.111 174.819 174.900 0.051 0.000 1.000 562 G CA -0.510 44.749 45.100 0.265 0.000 0.680 562 G HN 0.384 nan 8.290 nan 0.000 0.514 563 I N 1.229 121.788 120.570 -0.018 0.000 2.337 563 I HA 0.378 4.549 4.170 0.000 0.000 0.291 563 I C 1.093 177.315 176.117 0.176 0.000 1.046 563 I CA -0.661 60.548 61.300 -0.152 0.000 1.324 563 I CB 0.304 38.149 38.000 -0.259 0.000 1.409 563 I HN -0.055 nan 8.210 nan 0.000 0.494 564 F N 2.906 122.761 119.950 -0.158 0.000 2.374 564 F HA 0.130 4.658 4.527 0.001 0.000 0.291 564 F C 1.453 177.151 175.800 -0.171 0.000 1.084 564 F CA 0.458 58.344 58.000 -0.190 0.000 1.413 564 F CB -0.126 38.757 39.000 -0.194 0.000 1.099 564 F HN 0.338 nan 8.300 nan 0.000 0.534 565 E N 1.202 121.481 120.200 0.131 0.000 1.936 565 E HA 0.107 4.457 4.350 0.000 0.000 0.267 565 E C 1.092 177.781 176.600 0.149 0.000 1.076 565 E CA -0.083 56.416 56.400 0.164 0.000 0.870 565 E CB 0.399 30.213 29.700 0.190 0.000 1.093 565 E HN 0.283 nan 8.360 nan 0.000 0.411 566 T N -0.201 114.404 114.554 0.085 0.000 3.113 566 T HA -0.031 4.319 4.350 0.000 0.000 0.263 566 T C 0.635 175.315 174.700 -0.032 0.000 1.143 566 T CA 0.501 62.617 62.100 0.027 0.000 1.090 566 T CB -0.074 68.772 68.868 -0.037 0.000 0.922 566 T HN 0.259 nan 8.240 nan 0.000 0.521 567 H N 0.520 119.679 119.070 0.148 0.000 2.690 567 H HA 0.315 4.871 4.556 0.000 0.000 0.289 567 H C 0.762 176.154 175.328 0.106 0.000 1.089 567 H CA -0.993 55.127 56.048 0.119 0.000 1.299 567 H CB 0.761 30.579 29.762 0.093 0.000 1.405 567 H HN 0.274 nan 8.280 nan 0.000 0.463 568 C N 2.233 121.636 119.300 0.172 0.000 2.419 568 C HA -0.142 4.318 4.460 0.000 0.000 0.283 568 C C 2.482 177.486 174.990 0.023 0.000 1.373 568 C CA 0.709 59.765 59.018 0.063 0.000 1.781 568 C CB -0.760 26.960 27.740 -0.034 0.000 1.886 568 C HN 0.810 nan 8.230 nan 0.000 0.520 569 N N 1.437 120.180 118.700 0.072 0.000 2.520 569 N HA -0.144 4.596 4.740 0.000 0.000 0.185 569 N C 1.240 176.760 175.510 0.018 0.000 1.068 569 N CA 1.049 54.117 53.050 0.030 0.000 0.911 569 N CB -0.430 38.080 38.487 0.039 0.000 0.961 569 N HN 0.545 nan 8.380 nan 0.000 0.446 570 K N -0.640 119.791 120.400 0.050 0.000 2.305 570 K HA 0.162 4.482 4.320 0.000 0.000 0.199 570 K C 1.703 178.306 176.600 0.006 0.000 1.047 570 K CA 0.426 56.737 56.287 0.039 0.000 0.976 570 K CB 0.126 32.678 32.500 0.086 0.000 0.765 570 K HN 0.170 nan 8.250 nan 0.000 0.474 571 M N 0.228 119.815 119.600 -0.021 0.000 2.429 571 M HA 0.021 4.502 4.480 0.000 0.000 0.265 571 M C 0.330 176.564 176.300 -0.110 0.000 1.120 571 M CA 0.862 56.112 55.300 -0.083 0.000 1.173 571 M CB -0.467 32.027 32.600 -0.178 0.000 1.343 571 M HN -0.025 nan 8.290 nan 0.000 0.464 572 N N 0.795 119.432 118.700 -0.106 0.000 2.549 572 N HA 0.227 4.968 4.740 0.000 0.000 0.290 572 N C -2.343 173.129 175.510 -0.062 0.000 1.122 572 N CA -1.578 51.413 53.050 -0.099 0.000 0.885 572 N CB 1.912 40.315 38.487 -0.140 0.000 1.455 572 N HN -0.191 nan 8.380 nan 0.000 0.521 573 P HA -0.119 nan 4.420 nan 0.000 0.221 573 P C 0.639 177.924 177.300 -0.025 0.000 1.145 573 P CA 0.903 63.986 63.100 -0.029 0.000 0.795 573 P CB 0.294 31.977 31.700 -0.027 0.000 0.775 574 A N -1.099 121.700 122.820 -0.035 0.000 2.208 574 A HA -0.002 4.319 4.320 0.000 0.000 0.209 574 A C 1.213 178.782 177.584 -0.025 0.000 1.161 574 A CA 0.158 52.178 52.037 -0.029 0.000 0.782 574 A CB -0.771 18.207 19.000 -0.036 0.000 0.816 574 A HN 0.127 nan 8.150 nan 0.000 0.477 575 N N 1.125 119.807 118.700 -0.031 0.000 2.501 575 N HA 0.135 4.875 4.740 0.000 0.000 0.245 575 N C -0.739 174.776 175.510 0.009 0.000 0.974 575 N CA -0.330 52.706 53.050 -0.023 0.000 0.941 575 N CB 0.439 38.884 38.487 -0.070 0.000 1.122 575 N HN 0.150 nan 8.380 nan 0.000 0.507 576 N N 0.972 119.692 118.700 0.033 0.000 2.251 576 N HA -0.028 4.712 4.740 0.000 0.000 0.217 576 N C 0.004 175.571 175.510 0.095 0.000 1.124 576 N CA -0.013 53.076 53.050 0.065 0.000 0.843 576 N CB 0.398 38.920 38.487 0.059 0.000 1.024 576 N HN 0.367 nan 8.380 nan 0.000 0.501 577 S N 0.650 116.398 115.700 0.080 0.000 2.576 577 S HA 0.108 4.578 4.470 0.000 0.000 0.276 577 S C -0.072 174.598 174.600 0.117 0.000 1.339 577 S CA -0.130 58.128 58.200 0.096 0.000 1.039 577 S CB 1.048 64.291 63.200 0.073 0.000 0.902 577 S HN 0.269 nan 8.310 nan 0.000 0.516 578 Q N 3.283 123.162 119.800 0.131 0.000 2.321 578 Q HA 0.448 4.788 4.340 0.000 0.000 0.270 578 Q C -1.437 174.637 176.000 0.122 0.000 1.032 578 Q CA -0.820 55.051 55.803 0.113 0.000 0.784 578 Q CB 1.601 30.425 28.738 0.143 0.000 1.264 578 Q HN 0.573 nan 8.270 nan 0.000 0.448 579 V N 4.652 124.625 119.914 0.098 0.000 2.529 579 V HA 0.068 4.188 4.120 0.000 0.000 0.292 579 V C 0.601 176.757 176.094 0.104 0.000 1.028 579 V CA 0.348 62.705 62.300 0.095 0.000 1.074 579 V CB 0.416 32.299 31.823 0.099 0.000 0.958 579 V HN 0.691 nan 8.190 nan 0.000 0.481 580 R N 3.656 124.134 120.500 -0.036 0.000 3.710 580 R HA 0.375 4.715 4.340 0.000 0.000 0.201 580 R C 0.100 176.318 176.300 -0.137 0.000 1.641 580 R CA 0.139 56.060 56.100 -0.299 0.000 1.390 580 R CB 0.189 30.018 30.300 -0.786 0.000 1.341 580 R HN 0.689 nan 8.270 nan 0.000 0.728 581 S N 0.003 115.785 115.700 0.137 0.000 2.595 581 S HA 0.299 4.769 4.470 0.000 0.000 0.270 581 S C -0.490 174.226 174.600 0.193 0.000 1.145 581 S CA -0.688 57.598 58.200 0.144 0.000 0.825 581 S CB 1.655 64.910 63.200 0.092 0.000 1.107 581 S HN 0.425 nan 8.310 nan 0.000 0.461 582 T N 0.765 115.414 114.554 0.158 0.000 2.912 582 T HA 0.577 4.928 4.350 0.000 0.000 0.280 582 T C 1.650 176.382 174.700 0.054 0.000 0.989 582 T CA -0.820 61.351 62.100 0.118 0.000 0.995 582 T CB 0.538 69.480 68.868 0.123 0.000 1.077 582 T HN 0.531 nan 8.240 nan 0.000 0.531 583 I N 0.849 121.404 120.570 -0.025 0.000 2.226 583 I HA -0.127 4.043 4.170 0.000 0.000 0.245 583 I C 2.983 179.032 176.117 -0.115 0.000 1.100 583 I CA 1.543 62.741 61.300 -0.170 0.000 1.374 583 I CB -0.740 36.952 38.000 -0.513 0.000 1.057 583 I HN 0.889 nan 8.210 nan 0.000 0.413 584 A N 0.513 123.301 122.820 -0.054 0.000 1.978 584 A HA -0.236 4.085 4.320 0.000 0.000 0.220 584 A C 2.447 180.038 177.584 0.012 0.000 1.170 584 A CA 1.408 53.440 52.037 -0.008 0.000 0.636 584 A CB -0.564 18.488 19.000 0.087 0.000 0.810 584 A HN 0.293 nan 8.150 nan 0.000 0.448 585 R N -0.725 119.795 120.500 0.034 0.000 2.115 585 R HA -0.089 4.251 4.340 0.000 0.000 0.226 585 R C 1.923 178.256 176.300 0.055 0.000 1.100 585 R CA 1.228 57.342 56.100 0.023 0.000 0.980 585 R CB -0.282 30.040 30.300 0.036 0.000 0.875 585 R HN 0.532 nan 8.270 nan 0.000 0.445 586 Q N 0.593 120.459 119.800 0.109 0.000 2.124 586 Q HA -0.109 4.232 4.340 0.000 0.000 0.202 586 Q C 2.256 178.425 176.000 0.282 0.000 0.977 586 Q CA 1.074 56.990 55.803 0.189 0.000 0.850 586 Q CB -0.158 28.754 28.738 0.289 0.000 0.901 586 Q HN 0.397 nan 8.270 nan 0.000 0.429 587 L N -0.175 121.201 121.223 0.255 0.000 2.056 587 L HA -0.116 4.224 4.340 0.000 0.000 0.207 587 L C 2.443 179.468 176.870 0.257 0.000 1.078 587 L CA 0.964 55.991 54.840 0.313 0.000 0.749 587 L CB -0.690 41.339 42.059 -0.049 0.000 0.901 587 L HN 0.096 nan 8.230 nan 0.000 0.433 588 A N 0.383 123.229 122.820 0.043 0.000 1.978 588 A HA -0.174 4.146 4.320 0.000 0.000 0.220 588 A C 2.233 179.848 177.584 0.052 0.000 1.170 588 A CA 1.343 53.375 52.037 -0.008 0.000 0.636 588 A CB -0.732 18.202 19.000 -0.110 0.000 0.810 588 A HN 0.389 nan 8.150 nan 0.000 0.448 589 L N -2.024 119.209 121.223 0.017 0.000 2.187 589 L HA -0.224 4.116 4.340 0.000 0.000 0.213 589 L C 2.196 178.989 176.870 -0.128 0.000 1.100 589 L CA 1.157 55.936 54.840 -0.101 0.000 0.765 589 L CB -0.710 41.257 42.059 -0.154 0.000 0.904 589 L HN 0.477 nan 8.230 nan 0.000 0.437 590 Y N -1.081 119.299 120.300 0.134 0.000 2.574 590 Y HA -0.127 4.424 4.550 0.000 0.000 0.294 590 Y C 2.139 178.131 175.900 0.154 0.000 1.142 590 Y CA 0.629 58.812 58.100 0.138 0.000 1.314 590 Y CB -0.139 38.413 38.460 0.153 0.000 0.991 590 Y HN -0.048 nan 8.280 nan 0.000 0.555 591 V N -2.078 117.966 119.914 0.217 0.000 3.151 591 V HA -0.084 4.036 4.120 0.000 0.000 0.241 591 V C 2.081 178.147 176.094 -0.047 0.000 1.173 591 V CA 1.480 63.824 62.300 0.073 0.000 1.154 591 V CB -0.199 31.686 31.823 0.104 0.000 0.898 591 V HN 0.419 nan 8.190 nan 0.000 0.473 592 T N -2.766 111.757 114.554 -0.053 0.000 3.081 592 T HA 0.134 4.484 4.350 0.000 0.000 0.255 592 T C 0.827 175.454 174.700 -0.122 0.000 1.113 592 T CA 0.519 62.554 62.100 -0.107 0.000 1.082 592 T CB -0.057 68.731 68.868 -0.133 0.000 0.939 592 T HN 0.117 nan 8.240 nan 0.000 0.506 593 M N 2.421 121.954 119.600 -0.112 0.000 2.325 593 M HA 0.351 4.832 4.480 0.000 0.000 0.305 593 M C -0.921 175.350 176.300 -0.048 0.000 1.047 593 M CA -1.735 53.482 55.300 -0.138 0.000 0.981 593 M CB -0.019 32.437 32.600 -0.240 0.000 1.307 593 M HN 0.315 nan 8.290 nan 0.000 0.418 594 Y N 1.923 122.186 120.300 -0.061 0.000 2.811 594 Y HA 0.220 4.770 4.550 0.000 0.000 0.334 594 Y C 0.085 176.021 175.900 0.060 0.000 1.247 594 Y CA 0.876 58.992 58.100 0.026 0.000 1.526 594 Y CB 0.483 38.961 38.460 0.030 0.000 1.284 594 Y HN 0.682 nan 8.280 nan 0.000 0.586 595 S N 6.710 121.755 115.700 -1.092 0.000 2.604 595 S HA 0.291 4.762 4.470 0.000 0.000 0.296 595 S C -2.614 171.584 174.600 -0.670 0.000 1.097 595 S CA -0.802 56.863 58.200 -0.892 0.000 0.883 595 S CB 1.527 64.511 63.200 -0.360 0.000 1.081 595 S HN 0.529 nan 8.310 nan 0.000 0.448 596 P HA 0.212 nan 4.420 nan 0.000 0.249 596 P C -0.051 177.021 177.300 -0.381 0.000 1.229 596 P CA 0.087 62.890 63.100 -0.496 0.000 0.788 596 P CB 0.027 31.215 31.700 -0.853 0.000 1.072 597 L N 0.967 122.003 121.223 -0.313 0.000 2.345 597 L HA 0.448 4.788 4.340 0.000 0.000 0.274 597 L C -0.941 175.943 176.870 0.023 0.000 0.999 597 L CA -0.258 54.505 54.840 -0.128 0.000 0.849 597 L CB 1.284 43.254 42.059 -0.148 0.000 1.220 597 L HN -0.237 nan 8.230 nan 0.000 0.422 598 Q N 5.870 125.751 119.800 0.134 0.000 2.310 598 Q HA 0.415 4.755 4.340 0.000 0.000 0.270 598 Q C -1.082 175.010 176.000 0.153 0.000 1.025 598 Q CA -0.300 55.596 55.803 0.154 0.000 0.772 598 Q CB 2.873 31.721 28.738 0.183 0.000 1.253 598 Q HN 0.766 nan 8.270 nan 0.000 0.450 599 M N 1.335 120.880 119.600 -0.092 0.000 2.423 599 M HA 0.654 5.134 4.480 0.000 0.000 0.335 599 M C -1.005 175.267 176.300 -0.046 0.000 1.177 599 M CA -0.575 54.403 55.300 -0.537 0.000 1.038 599 M CB 1.544 33.518 32.600 -1.043 0.000 1.641 599 M HN 0.675 nan 8.290 nan 0.000 0.455 600 A N 3.266 126.088 122.820 0.003 0.000 2.412 600 A HA 0.649 4.969 4.320 0.000 0.000 0.334 600 A C 0.514 178.156 177.584 0.097 0.000 1.419 600 A CA -0.319 51.836 52.037 0.198 0.000 0.930 600 A CB 0.084 19.201 19.000 0.195 0.000 1.149 600 A HN 1.036 nan 8.150 nan 0.000 0.515 601 A N 1.676 124.503 122.820 0.012 0.000 2.066 601 A HA 0.032 4.352 4.320 0.000 0.000 0.218 601 A C 1.056 178.519 177.584 -0.201 0.000 1.157 601 A CA 0.820 52.814 52.037 -0.072 0.000 0.670 601 A CB -0.169 18.760 19.000 -0.119 0.000 0.804 601 A HN 0.685 nan 8.150 nan 0.000 0.453 602 D N -0.124 120.053 120.400 -0.371 0.000 2.384 602 D HA 0.323 4.964 4.640 0.000 0.000 0.244 602 D C 0.485 176.490 176.300 -0.491 0.000 1.251 602 D CA -0.242 53.337 54.000 -0.702 0.000 0.961 602 D CB 0.519 40.623 40.800 -1.159 0.000 1.116 602 D HN 0.393 nan 8.370 nan 0.000 0.484 603 I N -2.013 118.310 120.570 -0.411 0.000 2.532 603 I HA 0.261 4.431 4.170 0.000 0.000 0.292 603 I C -1.882 173.863 176.117 -0.621 0.000 1.014 603 I CA -1.741 59.357 61.300 -0.337 0.000 1.340 603 I CB 0.966 38.877 38.000 -0.148 0.000 1.422 603 I HN 0.097 nan 8.210 nan 0.000 0.528 604 P HA -0.219 nan 4.420 nan 0.000 0.217 604 P C 1.138 178.018 177.300 -0.699 0.000 1.158 604 P CA 1.810 64.184 63.100 -1.210 0.000 0.887 604 P CB 0.104 30.969 31.700 -1.391 0.000 0.792 605 E N -1.117 118.815 120.200 -0.447 0.000 2.130 605 E HA -0.209 4.141 4.350 0.000 0.000 0.196 605 E C 1.776 178.269 176.600 -0.178 0.000 0.998 605 E CA 1.082 57.337 56.400 -0.241 0.000 0.806 605 E CB -0.487 29.114 29.700 -0.165 0.000 0.738 605 E HN 0.296 nan 8.360 nan 0.000 0.459 606 N N -0.208 118.351 118.700 -0.234 0.000 2.270 606 N HA -0.109 4.631 4.740 0.000 0.000 0.181 606 N C 1.493 177.006 175.510 0.005 0.000 1.016 606 N CA 0.904 53.894 53.050 -0.101 0.000 0.870 606 N CB -0.190 38.200 38.487 -0.162 0.000 0.979 606 N HN 0.229 nan 8.380 nan 0.000 0.431 607 Y N 1.820 122.006 120.300 -0.190 0.000 2.293 607 Y HA -0.003 4.547 4.550 0.000 0.000 0.291 607 Y C 2.014 177.865 175.900 -0.082 0.000 1.137 607 Y CA 0.570 58.509 58.100 -0.269 0.000 1.202 607 Y CB -0.327 37.557 38.460 -0.961 0.000 0.990 607 Y HN 0.176 nan 8.280 nan 0.000 0.537 608 E N -0.311 119.915 120.200 0.044 0.000 2.338 608 E HA -0.136 4.214 4.350 0.000 0.000 0.197 608 E C 1.947 178.573 176.600 0.043 0.000 1.007 608 E CA 0.427 56.873 56.400 0.077 0.000 0.849 608 E CB -0.092 29.639 29.700 0.051 0.000 0.774 608 E HN 0.490 nan 8.360 nan 0.000 0.506 609 R N -0.250 120.248 120.500 -0.003 0.000 2.161 609 R HA 0.035 4.375 4.340 0.000 0.000 0.213 609 R C 0.314 176.315 176.300 -0.498 0.000 1.055 609 R CA 0.641 56.567 56.100 -0.291 0.000 0.996 609 R CB 0.289 30.320 30.300 -0.448 0.000 0.901 609 R HN 0.068 nan 8.270 nan 0.000 0.456 610 F N -0.522 119.595 119.950 0.278 0.000 2.623 610 F HA 0.271 4.799 4.527 0.000 0.000 0.361 610 F C 0.960 177.000 175.800 0.400 0.000 1.469 610 F CA -0.451 57.751 58.000 0.338 0.000 1.126 610 F CB 0.737 39.911 39.000 0.291 0.000 1.221 610 F HN -0.218 nan 8.300 nan 0.000 0.536 611 M N 0.504 120.350 119.600 0.409 0.000 2.279 611 M HA -0.159 4.322 4.480 0.000 0.000 0.264 611 M C 1.878 178.430 176.300 0.420 0.000 1.062 611 M CA 1.378 56.917 55.300 0.399 0.000 1.099 611 M CB -0.760 31.999 32.600 0.264 0.000 1.394 611 M HN 0.372 nan 8.290 nan 0.000 0.426 612 D N 0.074 120.710 120.400 0.394 0.000 2.144 612 D HA -0.093 4.547 4.640 0.000 0.000 0.200 612 D C 1.765 178.343 176.300 0.463 0.000 0.978 612 D CA 1.620 55.850 54.000 0.385 0.000 0.833 612 D CB -0.648 40.365 40.800 0.354 0.000 0.961 612 D HN 0.281 nan 8.370 nan 0.000 0.470 613 A N -0.071 122.995 122.820 0.410 0.000 1.968 613 A HA 0.005 4.326 4.320 0.000 0.000 0.217 613 A C 1.969 179.765 177.584 0.353 0.000 1.169 613 A CA 0.678 52.846 52.037 0.218 0.000 0.638 613 A CB -1.136 17.588 19.000 -0.460 0.000 0.812 613 A HN 0.212 nan 8.150 nan 0.000 0.446 614 F N 0.870 121.053 119.950 0.388 0.000 2.307 614 F HA -0.177 4.350 4.527 0.000 0.000 0.301 614 F C 2.193 178.022 175.800 0.049 0.000 1.076 614 F CA 1.777 59.930 58.000 0.254 0.000 1.383 614 F CB -0.314 38.794 39.000 0.181 0.000 1.055 614 F HN 0.326 nan 8.300 nan 0.000 0.526 615 Q N -0.238 119.637 119.800 0.125 0.000 2.181 615 Q HA -0.264 4.076 4.340 0.000 0.000 0.205 615 Q C 2.051 177.969 176.000 -0.137 0.000 0.980 615 Q CA 2.037 57.851 55.803 0.018 0.000 0.862 615 Q CB -0.892 27.997 28.738 0.251 0.000 0.905 615 Q HN 0.496 nan 8.270 nan 0.000 0.429 616 F N -0.213 119.503 119.950 -0.391 0.000 2.146 616 F HA -0.081 4.446 4.527 0.001 0.000 0.298 616 F C 1.642 177.148 175.800 -0.490 0.000 1.096 616 F CA 1.232 58.924 58.000 -0.514 0.000 1.275 616 F CB -0.122 38.306 39.000 -0.953 0.000 1.008 616 F HN 0.097 nan 8.300 nan 0.000 0.480 617 I N 0.114 120.304 120.570 -0.633 0.000 2.286 617 I HA -0.301 3.870 4.170 0.000 0.000 0.248 617 I C 2.205 177.710 176.117 -1.018 0.000 1.115 617 I CA 1.334 62.044 61.300 -0.983 0.000 1.392 617 I CB -0.532 36.873 38.000 -0.992 0.000 1.065 617 I HN 0.131 nan 8.210 nan 0.000 0.418 618 K N 0.560 120.399 120.400 -0.935 0.000 2.057 618 K HA -0.151 4.169 4.320 0.000 0.000 0.206 618 K C 1.603 177.845 176.600 -0.597 0.000 1.050 618 K CA 1.390 57.214 56.287 -0.773 0.000 0.935 618 K CB -0.107 32.075 32.500 -0.530 0.000 0.715 618 K HN 0.271 nan 8.250 nan 0.000 0.439 619 D N 0.648 120.744 120.400 -0.507 0.000 2.162 619 D HA -0.061 4.580 4.640 0.000 0.000 0.203 619 D C 0.656 176.609 176.300 -0.579 0.000 0.967 619 D CA 0.306 54.086 54.000 -0.366 0.000 0.840 619 D CB -0.268 40.472 40.800 -0.101 0.000 0.972 619 D HN -0.108 nan 8.370 nan 0.000 0.482 620 V N 1.096 120.449 119.914 -0.934 0.000 2.720 620 V HA 0.189 4.309 4.120 0.000 0.000 0.307 620 V C 0.417 175.978 176.094 -0.889 0.000 1.071 620 V CA -0.288 61.292 62.300 -1.200 0.000 1.199 620 V CB 0.547 31.752 31.823 -1.030 0.000 0.900 620 V HN 0.191 nan 8.190 nan 0.000 0.494 621 A N 5.995 128.217 122.820 -0.996 0.000 2.259 621 A HA 0.630 4.951 4.320 0.000 0.000 0.278 621 A C 0.581 177.713 177.584 -0.752 0.000 1.107 621 A CA -0.268 51.259 52.037 -0.850 0.000 0.828 621 A CB 0.569 18.949 19.000 -1.034 0.000 1.111 621 A HN 0.949 nan 8.150 nan 0.000 0.498 622 L N -1.352 119.415 121.223 -0.759 0.000 2.878 622 L HA 0.311 4.651 4.340 0.000 0.000 0.253 622 L C -0.245 176.259 176.870 -0.610 0.000 1.135 622 L CA 0.165 54.712 54.840 -0.488 0.000 0.943 622 L CB 0.368 42.236 42.059 -0.318 0.000 1.307 622 L HN 0.619 nan 8.230 nan 0.000 0.545 623 D N -0.883 118.911 120.400 -1.011 0.000 2.671 623 D HA 0.441 5.082 4.640 0.000 0.000 0.232 623 D C -1.783 173.900 176.300 -1.029 0.000 1.114 623 D CA -0.190 53.382 54.000 -0.714 0.000 0.858 623 D CB 1.748 42.372 40.800 -0.294 0.000 1.544 623 D HN -0.145 nan 8.370 nan 0.000 0.471 624 W N 1.481 122.781 121.300 0.000 0.000 2.936 624 W HA 0.383 5.043 4.660 0.000 0.000 0.338 624 W C 0.600 177.041 176.519 -0.131 0.000 1.121 624 W CA -0.626 56.664 57.345 -0.091 0.000 1.209 624 W CB 1.298 30.689 29.460 -0.116 0.000 1.420 624 W HN 0.171 nan 8.180 nan 0.000 0.516 625 D N 0.366 120.794 120.400 0.046 0.000 2.327 625 D HA -0.008 4.633 4.640 0.000 0.000 0.205 625 D C -0.140 176.118 176.300 -0.070 0.000 0.989 625 D CA 1.008 54.982 54.000 -0.042 0.000 0.873 625 D CB 0.739 41.492 40.800 -0.077 0.000 0.955 625 D HN 0.551 nan 8.370 nan 0.000 0.515 626 E N -0.860 119.280 120.200 -0.101 0.000 2.375 626 E HA 0.340 4.691 4.350 0.000 0.000 0.280 626 E C -1.600 174.871 176.600 -0.214 0.000 0.972 626 E CA -0.527 55.787 56.400 -0.142 0.000 0.782 626 E CB 1.722 31.351 29.700 -0.119 0.000 1.229 626 E HN -0.269 nan 8.360 nan 0.000 0.439 627 T N 2.889 117.302 114.554 -0.235 0.000 2.928 627 T HA 0.426 4.776 4.350 0.000 0.000 0.296 627 T C -1.140 173.295 174.700 -0.442 0.000 1.000 627 T CA -0.752 61.094 62.100 -0.423 0.000 0.989 627 T CB 0.887 69.388 68.868 -0.612 0.000 1.005 627 T HN 0.435 nan 8.240 nan 0.000 0.442 628 N N 2.135 120.563 118.700 -0.453 0.000 2.479 628 N HA 0.313 5.053 4.740 0.000 0.000 0.261 628 N C -1.375 173.842 175.510 -0.488 0.000 0.979 628 N CA -0.594 52.223 53.050 -0.388 0.000 0.930 628 N CB 1.344 39.622 38.487 -0.347 0.000 1.172 628 N HN 0.497 nan 8.380 nan 0.000 0.499 629 Y N 2.729 122.929 120.300 -0.167 0.000 2.585 629 Y HA 0.120 4.670 4.550 0.000 0.000 0.354 629 Y C 1.400 177.225 175.900 -0.126 0.000 1.024 629 Y CA -0.370 57.629 58.100 -0.167 0.000 1.321 629 Y CB 0.359 38.710 38.460 -0.181 0.000 1.151 629 Y HN 0.478 nan 8.280 nan 0.000 0.525 630 L N 1.506 122.708 121.223 -0.036 0.000 2.044 630 L HA 0.006 4.346 4.340 0.000 0.000 0.205 630 L C 0.347 177.245 176.870 0.046 0.000 1.075 630 L CA 1.274 56.102 54.840 -0.019 0.000 0.747 630 L CB -0.019 42.011 42.059 -0.049 0.000 0.903 630 L HN 0.509 nan 8.230 nan 0.000 0.435 631 E N -1.072 119.175 120.200 0.079 0.000 2.331 631 E HA 0.702 5.052 4.350 0.000 0.000 0.275 631 E C -1.237 175.448 176.600 0.143 0.000 0.895 631 E CA -0.541 55.956 56.400 0.161 0.000 0.753 631 E CB 2.628 32.454 29.700 0.210 0.000 1.216 631 E HN 0.111 nan 8.360 nan 0.000 0.434 632 A N 2.470 125.352 122.820 0.104 0.000 2.512 632 A HA 0.555 4.875 4.320 0.000 0.000 0.294 632 A C -1.568 175.834 177.584 -0.303 0.000 1.054 632 A CA -0.577 51.418 52.037 -0.070 0.000 0.756 632 A CB 1.676 20.657 19.000 -0.031 0.000 1.293 632 A HN 0.502 nan 8.150 nan 0.000 0.395 633 E N 3.172 122.993 120.200 -0.631 0.000 2.334 633 E HA 0.487 4.837 4.350 0.000 0.000 0.280 633 E C -2.984 173.180 176.600 -0.726 0.000 0.899 633 E CA -1.727 54.217 56.400 -0.759 0.000 0.813 633 E CB 2.459 31.552 29.700 -1.011 0.000 1.318 633 E HN 0.379 nan 8.360 nan 0.000 0.399 634 P HA 0.100 nan 4.420 nan 0.000 0.262 634 P C 0.768 177.661 177.300 -0.680 0.000 1.182 634 P CA 1.449 63.822 63.100 -1.212 0.000 0.761 634 P CB 0.862 31.272 31.700 -2.149 0.000 0.795 635 G N 2.980 111.504 108.800 -0.459 0.000 2.205 635 G HA2 -0.232 3.729 3.960 0.000 0.000 0.261 635 G HA3 -0.232 3.729 3.960 0.000 0.000 0.261 635 G C 0.782 175.623 174.900 -0.099 0.000 0.980 635 G CA 0.203 45.158 45.100 -0.243 0.000 0.632 635 G HN 0.541 nan 8.290 nan 0.000 0.533 636 E N -1.582 118.510 120.200 -0.180 0.000 2.444 636 E HA 0.314 4.664 4.350 0.000 0.000 0.203 636 E C 0.526 177.121 176.600 -0.008 0.000 0.847 636 E CA 1.377 57.739 56.400 -0.064 0.000 1.142 636 E CB 0.661 30.310 29.700 -0.084 0.000 1.125 636 E HN 0.962 nan 8.360 nan 0.000 0.521 637 Y N -1.365 118.840 120.300 -0.159 0.000 2.620 637 Y HA 0.629 5.179 4.550 0.000 0.000 0.331 637 Y C -1.268 174.509 175.900 -0.206 0.000 1.173 637 Y CA -1.193 56.759 58.100 -0.248 0.000 1.076 637 Y CB 0.828 38.934 38.460 -0.589 0.000 1.336 637 Y HN -0.196 nan 8.280 nan 0.000 0.459 638 I N 2.454 123.013 120.570 -0.019 0.000 2.548 638 I HA 0.482 4.653 4.170 0.000 0.000 0.287 638 I C -1.237 174.847 176.117 -0.054 0.000 1.103 638 I CA -0.700 60.568 61.300 -0.054 0.000 1.049 638 I CB 2.697 40.614 38.000 -0.139 0.000 1.232 638 I HN 0.791 nan 8.210 nan 0.000 0.429 639 T N 6.863 121.408 114.554 -0.015 0.000 2.840 639 T HA 0.686 5.036 4.350 0.000 0.000 0.287 639 T C -0.408 174.260 174.700 -0.052 0.000 0.991 639 T CA -0.354 61.723 62.100 -0.038 0.000 0.964 639 T CB 1.377 70.269 68.868 0.039 0.000 0.954 639 T HN 0.272 nan 8.240 nan 0.000 0.438 640 I N 1.982 122.492 120.570 -0.101 0.000 2.647 640 I HA 0.752 4.922 4.170 0.000 0.000 0.295 640 I C -0.358 175.642 176.117 -0.195 0.000 1.078 640 I CA -1.307 59.876 61.300 -0.195 0.000 1.048 640 I CB 2.100 39.948 38.000 -0.254 0.000 1.239 640 I HN 0.669 nan 8.210 nan 0.000 0.421 641 A N 5.968 128.611 122.820 -0.295 0.000 2.343 641 A HA 0.873 5.193 4.320 0.000 0.000 0.316 641 A C -0.666 176.808 177.584 -0.185 0.000 1.104 641 A CA -0.612 51.295 52.037 -0.217 0.000 0.768 641 A CB 1.042 19.672 19.000 -0.618 0.000 1.213 641 A HN 0.789 nan 8.150 nan 0.000 0.456 642 R N 1.258 121.684 120.500 -0.122 0.000 2.686 642 R HA 0.478 4.819 4.340 0.000 0.000 0.283 642 R C -0.862 175.308 176.300 -0.218 0.000 0.978 642 R CA -0.807 55.062 56.100 -0.384 0.000 0.897 642 R CB 2.658 32.207 30.300 -1.251 0.000 1.192 642 R HN 0.689 nan 8.270 nan 0.000 0.457 643 K N 1.848 121.909 120.400 -0.566 0.000 2.263 643 K HA 0.385 4.705 4.320 0.000 0.000 0.272 643 K C -0.500 176.106 176.600 0.009 0.000 1.033 643 K CA -0.318 55.483 56.287 -0.810 0.000 0.884 643 K CB 1.341 32.969 32.500 -1.453 0.000 1.107 643 K HN 0.758 nan 8.250 nan 0.000 0.460 644 A N 4.477 127.411 122.820 0.191 0.000 2.546 644 A HA -0.006 4.314 4.320 0.000 0.000 0.243 644 A C -0.006 177.516 177.584 -0.103 0.000 1.063 644 A CA 0.102 52.150 52.037 0.018 0.000 0.757 644 A CB 0.038 19.061 19.000 0.038 0.000 0.991 644 A HN 0.863 nan 8.150 nan 0.000 0.503 645 K N 2.207 122.494 120.400 -0.188 0.000 2.511 645 K HA 0.011 4.332 4.320 0.000 0.000 0.280 645 K C -0.460 176.074 176.600 -0.109 0.000 1.008 645 K CA 0.706 56.911 56.287 -0.136 0.000 1.050 645 K CB 0.026 32.433 32.500 -0.155 0.000 0.889 645 K HN 0.770 nan 8.250 nan 0.000 0.484 646 D N 1.348 121.702 120.400 -0.076 0.000 2.981 646 D HA -0.164 4.477 4.640 0.000 0.000 0.223 646 D C -0.310 175.965 176.300 -0.041 0.000 1.151 646 D CA 1.752 55.719 54.000 -0.054 0.000 0.827 646 D CB -1.334 39.432 40.800 -0.058 0.000 1.101 646 D HN 0.810 nan 8.370 nan 0.000 0.426 647 T N -3.991 110.540 114.554 -0.038 0.000 2.812 647 T HA 0.587 4.937 4.350 0.000 0.000 0.294 647 T C -0.267 174.439 174.700 0.010 0.000 1.159 647 T CA -0.746 61.350 62.100 -0.007 0.000 1.008 647 T CB 1.957 70.831 68.868 0.009 0.000 1.289 647 T HN -0.240 nan 8.240 nan 0.000 0.514 648 D N 0.265 120.707 120.400 0.069 0.000 2.501 648 D HA 0.270 4.910 4.640 0.000 0.000 0.226 648 D C -0.788 175.683 176.300 0.286 0.000 1.198 648 D CA -0.320 53.779 54.000 0.165 0.000 0.830 648 D CB 0.276 41.182 40.800 0.176 0.000 1.014 648 D HN 0.416 nan 8.370 nan 0.000 0.496 649 D N 0.095 120.589 120.400 0.156 0.000 2.175 649 D HA 0.290 4.931 4.640 0.000 0.000 0.248 649 D C -0.360 175.991 176.300 0.085 0.000 1.047 649 D CA -0.252 53.866 54.000 0.196 0.000 0.883 649 D CB 1.025 41.914 40.800 0.149 0.000 1.180 649 D HN 0.032 nan 8.370 nan 0.000 0.438 650 W N 0.862 122.161 121.300 -0.001 0.000 2.761 650 W HA 0.441 5.102 4.660 0.001 0.000 0.340 650 W C -0.735 175.655 176.519 -0.215 0.000 1.072 650 W CA -0.726 56.651 57.345 0.053 0.000 1.215 650 W CB 1.072 30.626 29.460 0.156 0.000 1.420 650 W HN 0.197 nan 8.180 nan 0.000 0.519 651 Y N 1.228 121.800 120.300 0.454 0.000 2.391 651 Y HA 0.639 5.189 4.550 0.000 0.000 0.341 651 Y C -0.287 175.787 175.900 0.290 0.000 0.965 651 Y CA -1.210 57.132 58.100 0.402 0.000 1.067 651 Y CB 1.714 40.416 38.460 0.404 0.000 1.199 651 Y HN -0.009 nan 8.280 nan 0.000 0.450 652 V N 2.149 122.329 119.914 0.444 0.000 2.680 652 V HA 0.946 5.066 4.120 0.000 0.000 0.309 652 V C -0.093 176.143 176.094 0.237 0.000 1.052 652 V CA -0.751 61.727 62.300 0.298 0.000 0.908 652 V CB 1.974 34.020 31.823 0.370 0.000 1.001 652 V HN 0.910 nan 8.190 nan 0.000 0.431 653 G N 1.080 109.934 108.800 0.090 0.000 2.719 653 G HA2 0.582 4.543 3.960 0.000 0.000 0.298 653 G HA3 0.582 4.543 3.960 0.000 0.000 0.298 653 G C -1.591 173.179 174.900 -0.217 0.000 1.411 653 G CA -0.498 44.576 45.100 -0.043 0.000 0.991 653 G HN 0.926 nan 8.290 nan 0.000 0.509 654 C N 1.169 120.175 119.300 -0.489 0.000 2.482 654 C HA 0.887 5.347 4.460 0.000 0.000 0.317 654 C C -0.019 174.747 174.990 -0.374 0.000 1.197 654 C CA -0.306 58.376 59.018 -0.560 0.000 1.432 654 C CB 0.810 27.833 27.740 -1.194 0.000 2.062 654 C HN 0.903 nan 8.230 nan 0.000 0.471 655 T N 3.935 118.366 114.554 -0.205 0.000 2.824 655 T HA 0.792 5.142 4.350 0.000 0.000 0.282 655 T C -0.338 174.328 174.700 -0.056 0.000 0.993 655 T CA 0.108 62.136 62.100 -0.121 0.000 0.967 655 T CB 1.120 69.922 68.868 -0.110 0.000 0.960 655 T HN 1.392 nan 8.240 nan 0.000 0.441 656 A N 3.197 126.013 122.820 -0.007 0.000 2.386 656 A HA 0.946 5.266 4.320 0.000 0.000 0.308 656 A C 0.619 178.252 177.584 0.083 0.000 1.128 656 A CA -0.405 51.670 52.037 0.063 0.000 0.789 656 A CB 1.362 20.421 19.000 0.097 0.000 1.325 656 A HN 1.059 nan 8.150 nan 0.000 0.437 657 G N -0.850 108.027 108.800 0.128 0.000 2.582 657 G HA2 0.405 4.366 3.960 0.000 0.000 0.232 657 G HA3 0.405 4.366 3.960 0.000 0.000 0.232 657 G C 0.381 175.377 174.900 0.160 0.000 1.458 657 G CA 0.175 45.367 45.100 0.152 0.000 1.062 657 G HN 0.769 nan 8.290 nan 0.000 0.566 658 E N 0.289 120.596 120.200 0.177 0.000 2.209 658 E HA -0.124 4.226 4.350 0.000 0.000 0.196 658 E C 1.404 178.132 176.600 0.213 0.000 0.993 658 E CA 1.027 57.545 56.400 0.195 0.000 0.819 658 E CB 0.043 29.854 29.700 0.184 0.000 0.745 658 E HN 0.313 nan 8.360 nan 0.000 0.477 659 N N 0.114 118.936 118.700 0.202 0.000 2.236 659 N HA 0.089 4.829 4.740 0.000 0.000 0.196 659 N C 0.698 176.335 175.510 0.212 0.000 1.114 659 N CA 0.763 53.933 53.050 0.201 0.000 0.859 659 N CB 1.190 39.792 38.487 0.193 0.000 0.982 659 N HN 0.153 nan 8.380 nan 0.000 0.493 660 G N 1.006 109.920 108.800 0.190 0.000 2.698 660 G HA2 -0.266 3.695 3.960 0.000 0.000 0.233 660 G HA3 -0.266 3.695 3.960 0.000 0.000 0.233 660 G C -0.876 174.128 174.900 0.174 0.000 1.352 660 G CA -0.033 45.137 45.100 0.116 0.000 0.879 660 G HN 0.631 nan 8.290 nan 0.000 0.567 661 H N -1.556 117.443 119.070 -0.118 0.000 3.140 661 H HA 0.597 5.153 4.556 0.000 0.000 0.336 661 H C -0.623 174.684 175.328 -0.035 0.000 1.142 661 H CA 0.336 56.345 56.048 -0.065 0.000 1.308 661 H CB 1.277 30.978 29.762 -0.102 0.000 1.970 661 H HN 0.730 nan 8.280 nan 0.000 0.521 662 T N 3.841 118.034 114.554 -0.603 0.000 2.758 662 T HA 0.490 4.840 4.350 0.000 0.000 0.285 662 T C -0.580 173.744 174.700 -0.626 0.000 0.981 662 T CA -0.564 61.342 62.100 -0.324 0.000 0.965 662 T CB 0.771 69.577 68.868 -0.103 0.000 0.927 662 T HN 0.503 nan 8.240 nan 0.000 0.448 663 S N 3.145 118.692 115.700 -0.256 0.000 2.472 663 S HA 0.419 4.890 4.470 0.000 0.000 0.303 663 S C -0.083 174.465 174.600 -0.086 0.000 1.099 663 S CA -1.004 57.128 58.200 -0.113 0.000 1.077 663 S CB 1.163 64.455 63.200 0.153 0.000 1.031 663 S HN 0.507 nan 8.310 nan 0.000 0.487 664 K N 2.865 123.218 120.400 -0.077 0.000 2.499 664 K HA 0.342 4.662 4.320 0.000 0.000 0.215 664 K C -0.889 175.649 176.600 -0.103 0.000 1.041 664 K CA -0.212 56.027 56.287 -0.079 0.000 1.031 664 K CB 0.452 32.914 32.500 -0.064 0.000 1.479 664 K HN 0.486 nan 8.250 nan 0.000 0.518 665 L N 2.226 123.357 121.223 -0.154 0.000 2.410 665 L HA 0.211 4.552 4.340 0.000 0.000 0.273 665 L C 0.016 176.640 176.870 -0.410 0.000 1.152 665 L CA -0.577 54.068 54.840 -0.324 0.000 0.855 665 L CB 0.726 42.486 42.059 -0.499 0.000 1.129 665 L HN 0.131 nan 8.230 nan 0.000 0.463 666 V N 4.191 123.848 119.914 -0.428 0.000 2.349 666 V HA 0.188 4.308 4.120 0.000 0.000 0.284 666 V C -0.055 175.747 176.094 -0.486 0.000 1.014 666 V CA -0.299 61.807 62.300 -0.323 0.000 0.826 666 V CB 1.141 32.870 31.823 -0.156 0.000 1.009 666 V HN 0.481 nan 8.190 nan 0.000 0.431 667 F N 2.814 122.558 119.950 -0.344 0.000 2.811 667 F HA 0.119 4.647 4.527 0.000 0.000 0.292 667 F C 1.575 176.882 175.800 -0.823 0.000 1.240 667 F CA -0.513 56.993 58.000 -0.823 0.000 1.422 667 F CB -0.379 38.182 39.000 -0.731 0.000 1.045 667 F HN 0.670 nan 8.300 nan 0.000 0.512 668 D N -0.906 119.263 120.400 -0.385 0.000 2.378 668 D HA -0.208 4.432 4.640 0.000 0.000 0.227 668 D C 1.493 177.652 176.300 -0.235 0.000 1.012 668 D CA 0.339 54.195 54.000 -0.240 0.000 0.905 668 D CB -1.010 39.726 40.800 -0.106 0.000 0.895 668 D HN 0.440 nan 8.370 nan 0.000 0.532 669 F N -0.362 119.426 119.950 -0.270 0.000 2.710 669 F HA 0.293 4.821 4.527 0.000 0.000 0.298 669 F C 0.700 176.209 175.800 -0.486 0.000 1.137 669 F CA -0.759 57.014 58.000 -0.378 0.000 1.444 669 F CB -0.635 38.026 39.000 -0.564 0.000 1.111 669 F HN -0.197 nan 8.300 nan 0.000 0.580 670 L N 1.096 121.878 121.223 -0.734 0.000 2.466 670 L HA 0.230 4.570 4.340 0.000 0.000 0.257 670 L C 0.627 177.450 176.870 -0.079 0.000 1.189 670 L CA -0.543 53.975 54.840 -0.536 0.000 0.813 670 L CB 0.500 42.099 42.059 -0.767 0.000 1.118 670 L HN -0.022 nan 8.230 nan 0.000 0.471 671 T N 1.966 116.634 114.554 0.191 0.000 2.851 671 T HA 0.194 4.545 4.350 0.000 0.000 0.298 671 T C -2.271 172.512 174.700 0.139 0.000 0.977 671 T CA -0.870 61.349 62.100 0.199 0.000 1.126 671 T CB 0.764 69.786 68.868 0.256 0.000 0.916 671 T HN 0.315 nan 8.240 nan 0.000 0.529 672 P HA 0.225 nan 4.420 nan 0.000 0.265 672 P C 1.077 178.401 177.300 0.039 0.000 1.193 672 P CA 0.690 63.816 63.100 0.043 0.000 0.765 672 P CB 0.350 32.068 31.700 0.029 0.000 0.823 673 G N 1.082 109.896 108.800 0.023 0.000 2.179 673 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 673 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 673 G C 0.191 175.081 174.900 -0.016 0.000 0.977 673 G CA -0.003 45.099 45.100 0.003 0.000 0.641 673 G HN 0.480 nan 8.290 nan 0.000 0.533 674 K N 0.405 120.800 120.400 -0.008 0.000 2.098 674 K HA 0.610 4.930 4.320 0.000 0.000 0.258 674 K C 0.174 176.683 176.600 -0.153 0.000 0.973 674 K CA -0.475 55.737 56.287 -0.125 0.000 0.898 674 K CB 1.184 33.554 32.500 -0.216 0.000 1.057 674 K HN 0.244 nan 8.250 nan 0.000 0.447 675 Q N 1.599 121.228 119.800 -0.285 0.000 2.309 675 Q HA 0.409 4.749 4.340 0.000 0.000 0.264 675 Q C -0.934 174.844 176.000 -0.370 0.000 1.008 675 Q CA -0.560 55.132 55.803 -0.185 0.000 0.853 675 Q CB 1.502 30.170 28.738 -0.117 0.000 1.314 675 Q HN 0.453 nan 8.270 nan 0.000 0.448 676 Y N 0.401 120.660 120.300 -0.069 0.000 2.477 676 Y HA 0.471 5.021 4.550 0.000 0.000 0.347 676 Y C 0.112 175.967 175.900 -0.076 0.000 0.981 676 Y CA -0.758 57.303 58.100 -0.064 0.000 1.033 676 Y CB 1.763 40.169 38.460 -0.090 0.000 1.245 676 Y HN 0.428 nan 8.280 nan 0.000 0.455 677 I N 3.404 124.030 120.570 0.094 0.000 2.291 677 I HA 0.477 4.647 4.170 0.000 0.000 0.292 677 I C -0.134 176.006 176.117 0.038 0.000 1.064 677 I CA -0.342 60.982 61.300 0.039 0.000 1.269 677 I CB 0.444 38.461 38.000 0.029 0.000 1.418 677 I HN 0.653 nan 8.210 nan 0.000 0.485 678 A N 4.799 127.612 122.820 -0.011 0.000 2.317 678 A HA 0.777 5.098 4.320 0.000 0.000 0.327 678 A C -0.197 177.373 177.584 -0.024 0.000 1.178 678 A CA -0.395 51.620 52.037 -0.037 0.000 0.817 678 A CB 0.916 19.824 19.000 -0.153 0.000 1.189 678 A HN 0.591 nan 8.150 nan 0.000 0.489 679 T N 2.051 116.623 114.554 0.030 0.000 2.815 679 T HA 0.474 4.825 4.350 0.000 0.000 0.289 679 T C -0.610 174.065 174.700 -0.042 0.000 1.000 679 T CA -0.302 61.775 62.100 -0.038 0.000 0.958 679 T CB 1.094 69.971 68.868 0.015 0.000 0.944 679 T HN 0.409 nan 8.240 nan 0.000 0.442 680 V N 4.590 124.415 119.914 -0.148 0.000 2.350 680 V HA 0.360 4.481 4.120 0.000 0.000 0.276 680 V C -1.003 174.997 176.094 -0.157 0.000 1.028 680 V CA -0.818 61.444 62.300 -0.064 0.000 0.860 680 V CB 0.266 32.057 31.823 -0.054 0.000 0.990 680 V HN 0.830 nan 8.190 nan 0.000 0.453 681 Y N 3.724 124.041 120.300 0.029 0.000 2.417 681 Y HA 0.725 5.276 4.550 0.001 0.000 0.336 681 Y C 0.480 176.419 175.900 0.065 0.000 0.961 681 Y CA -0.314 57.806 58.100 0.033 0.000 1.215 681 Y CB 1.439 39.857 38.460 -0.069 0.000 1.120 681 Y HN 0.726 nan 8.280 nan 0.000 0.499 682 A N 2.035 124.982 122.820 0.211 0.000 2.485 682 A HA 0.578 4.898 4.320 0.000 0.000 0.292 682 A C -0.988 176.721 177.584 0.208 0.000 1.147 682 A CA -1.019 51.141 52.037 0.205 0.000 0.750 682 A CB 1.023 20.097 19.000 0.123 0.000 1.331 682 A HN 0.557 nan 8.150 nan 0.000 0.419 683 D N 1.136 121.650 120.400 0.190 0.000 2.399 683 D HA 0.428 5.069 4.640 0.000 0.000 0.241 683 D C 0.662 177.051 176.300 0.147 0.000 1.133 683 D CA 0.729 54.832 54.000 0.172 0.000 0.890 683 D CB 1.342 42.232 40.800 0.149 0.000 1.201 683 D HN 0.721 nan 8.370 nan 0.000 0.432 684 A N 1.973 124.869 122.820 0.126 0.000 2.366 684 A HA 0.026 4.347 4.320 0.000 0.000 0.249 684 A C 1.468 179.107 177.584 0.092 0.000 1.084 684 A CA -0.261 51.826 52.037 0.082 0.000 0.794 684 A CB 0.389 19.415 19.000 0.045 0.000 1.034 684 A HN 0.658 nan 8.150 nan 0.000 0.491 685 K N 0.004 120.447 120.400 0.071 0.000 2.211 685 K HA -0.180 4.140 4.320 0.000 0.000 0.204 685 K C 0.520 177.163 176.600 0.072 0.000 1.047 685 K CA 1.970 58.301 56.287 0.073 0.000 0.935 685 K CB -0.051 32.470 32.500 0.035 0.000 0.728 685 K HN 0.859 nan 8.250 nan 0.000 0.452 686 D N -0.433 120.000 120.400 0.056 0.000 2.340 686 D HA 0.056 4.696 4.640 0.000 0.000 0.217 686 D C 0.102 176.435 176.300 0.054 0.000 1.081 686 D CA -0.148 53.879 54.000 0.046 0.000 0.842 686 D CB 0.108 40.924 40.800 0.026 0.000 0.934 686 D HN 0.155 nan 8.370 nan 0.000 0.511 687 A N 0.669 123.536 122.820 0.078 0.000 2.466 687 A HA 0.357 4.677 4.320 0.000 0.000 0.238 687 A C -0.367 177.265 177.584 0.079 0.000 1.074 687 A CA 0.103 52.190 52.037 0.083 0.000 0.774 687 A CB 0.281 19.347 19.000 0.111 0.000 1.015 687 A HN 0.247 nan 8.150 nan 0.000 0.498 688 D N 0.072 120.506 120.400 0.057 0.000 2.836 688 D HA 0.228 4.868 4.640 0.000 0.000 0.215 688 D C 0.870 177.174 176.300 0.006 0.000 1.255 688 D CA -0.460 53.548 54.000 0.015 0.000 0.822 688 D CB 0.360 41.111 40.800 -0.082 0.000 1.656 688 D HN 0.607 nan 8.370 nan 0.000 0.511 689 W N 4.479 125.808 121.300 0.047 0.000 2.342 689 W HA -0.109 4.551 4.660 0.001 0.000 0.297 689 W C 1.010 177.541 176.519 0.020 0.000 1.213 689 W CA 0.909 58.272 57.345 0.030 0.000 1.251 689 W CB -0.260 29.218 29.460 0.030 0.000 1.136 689 W HN 0.393 nan 8.180 nan 0.000 0.526 690 K N 0.337 120.111 120.400 -1.043 0.000 2.141 690 K HA -0.086 4.234 4.320 0.000 0.000 0.202 690 K C 2.074 178.446 176.600 -0.381 0.000 1.045 690 K CA 1.190 56.867 56.287 -1.017 0.000 0.971 690 K CB 0.029 31.519 32.500 -1.683 0.000 0.795 690 K HN -0.181 nan 8.250 nan 0.000 0.459 691 E N 0.189 120.201 120.200 -0.313 0.000 2.318 691 E HA -0.039 4.312 4.350 0.000 0.000 0.193 691 E C 0.076 176.654 176.600 -0.038 0.000 0.998 691 E CA 0.559 56.881 56.400 -0.130 0.000 0.859 691 E CB 0.285 29.912 29.700 -0.122 0.000 0.812 691 E HN 0.150 nan 8.360 nan 0.000 0.492 692 N N 0.059 118.741 118.700 -0.029 0.000 2.679 692 N HA 0.074 4.815 4.740 0.000 0.000 0.240 692 N C -2.277 173.264 175.510 0.051 0.000 1.537 692 N CA -0.940 52.126 53.050 0.027 0.000 0.793 692 N CB 0.915 39.416 38.487 0.022 0.000 1.391 692 N HN -0.197 nan 8.380 nan 0.000 0.524 693 P HA -0.091 nan 4.420 nan 0.000 0.225 693 P C 0.227 177.567 177.300 0.066 0.000 1.156 693 P CA 1.062 64.210 63.100 0.079 0.000 0.787 693 P CB 0.473 32.216 31.700 0.072 0.000 0.802 694 Q N -0.375 119.468 119.800 0.073 0.000 2.222 694 Q HA 0.349 4.689 4.340 0.000 0.000 0.206 694 Q C 0.381 176.475 176.000 0.156 0.000 0.877 694 Q CA -0.394 55.451 55.803 0.070 0.000 0.958 694 Q CB 0.369 29.149 28.738 0.070 0.000 1.075 694 Q HN 0.126 nan 8.270 nan 0.000 0.483 695 A N 1.411 124.301 122.820 0.118 0.000 2.279 695 A HA 0.505 4.825 4.320 0.000 0.000 0.306 695 A C -0.805 176.851 177.584 0.120 0.000 1.300 695 A CA -0.390 51.677 52.037 0.049 0.000 0.925 695 A CB -0.283 18.742 19.000 0.041 0.000 1.152 695 A HN 0.339 nan 8.150 nan 0.000 0.544 696 Y N -0.057 120.269 120.300 0.044 0.000 2.655 696 Y HA 0.841 5.391 4.550 0.001 0.000 0.336 696 Y C -0.175 175.759 175.900 0.057 0.000 1.154 696 Y CA -0.695 57.435 58.100 0.050 0.000 1.055 696 Y CB 1.059 39.542 38.460 0.039 0.000 1.295 696 Y HN 0.582 nan 8.280 nan 0.000 0.465 697 T N -0.183 114.510 114.554 0.233 0.000 2.906 697 T HA 0.819 5.169 4.350 0.000 0.000 0.295 697 T C -1.177 173.623 174.700 0.168 0.000 1.061 697 T CA -0.703 61.470 62.100 0.122 0.000 1.000 697 T CB 1.698 70.596 68.868 0.051 0.000 1.103 697 T HN 0.760 nan 8.240 nan 0.000 0.486 698 I N 1.718 122.332 120.570 0.074 0.000 2.478 698 I HA 0.434 4.604 4.170 0.000 0.000 0.287 698 I C -0.541 175.518 176.117 -0.097 0.000 1.042 698 I CA -0.889 60.365 61.300 -0.076 0.000 1.067 698 I CB 2.100 40.056 38.000 -0.074 0.000 1.233 698 I HN 0.547 nan 8.210 nan 0.000 0.431 699 K N 5.892 126.208 120.400 -0.140 0.000 2.345 699 K HA 0.518 4.838 4.320 0.000 0.000 0.255 699 K C -0.924 175.609 176.600 -0.112 0.000 0.934 699 K CA -0.928 55.302 56.287 -0.096 0.000 0.801 699 K CB 2.991 35.450 32.500 -0.069 0.000 1.137 699 K HN 0.395 nan 8.250 nan 0.000 0.424 700 K N 1.697 122.051 120.400 -0.077 0.000 2.323 700 K HA 0.609 4.929 4.320 0.000 0.000 0.259 700 K C -0.715 175.857 176.600 -0.047 0.000 0.947 700 K CA -0.504 55.747 56.287 -0.060 0.000 0.819 700 K CB 1.504 33.981 32.500 -0.038 0.000 1.109 700 K HN 0.841 nan 8.250 nan 0.000 0.429 701 G N 2.936 111.705 108.800 -0.051 0.000 2.650 701 G HA2 0.371 4.331 3.960 0.000 0.000 0.310 701 G HA3 0.371 4.331 3.960 0.000 0.000 0.310 701 G C -1.547 173.322 174.900 -0.053 0.000 1.270 701 G CA -0.692 44.378 45.100 -0.050 0.000 0.810 701 G HN 0.397 nan 8.290 nan 0.000 0.493 702 I N 0.390 120.926 120.570 -0.056 0.000 2.437 702 I HA 0.632 4.802 4.170 0.000 0.000 0.298 702 I C -0.761 175.302 176.117 -0.089 0.000 0.984 702 I CA -0.573 60.696 61.300 -0.051 0.000 1.214 702 I CB 1.272 39.249 38.000 -0.037 0.000 1.365 702 I HN 0.252 nan 8.210 nan 0.000 0.469 703 L N 4.885 126.056 121.223 -0.087 0.000 2.401 703 L HA 0.668 5.008 4.340 0.000 0.000 0.266 703 L C 0.097 176.931 176.870 -0.061 0.000 0.991 703 L CA -0.057 54.668 54.840 -0.192 0.000 0.818 703 L CB 2.193 43.993 42.059 -0.431 0.000 1.321 703 L HN 0.865 nan 8.230 nan 0.000 0.413 704 T N -1.666 112.825 114.554 -0.105 0.000 2.804 704 T HA 0.313 4.663 4.350 0.000 0.000 0.290 704 T C 0.577 175.210 174.700 -0.111 0.000 1.099 704 T CA -0.384 61.710 62.100 -0.010 0.000 1.011 704 T CB 1.047 69.916 68.868 0.002 0.000 1.291 704 T HN 0.558 nan 8.240 nan 0.000 0.523 705 N N 0.167 118.820 118.700 -0.078 0.000 2.609 705 N HA -0.067 4.673 4.740 0.000 0.000 0.190 705 N C 0.752 176.207 175.510 -0.091 0.000 1.157 705 N CA 0.348 53.315 53.050 -0.139 0.000 0.918 705 N CB -0.195 38.232 38.487 -0.099 0.000 0.978 705 N HN 0.430 nan 8.380 nan 0.000 0.448 706 K N 0.104 120.471 120.400 -0.056 0.000 2.353 706 K HA 0.217 4.537 4.320 0.000 0.000 0.195 706 K C 0.107 176.696 176.600 -0.020 0.000 1.031 706 K CA -0.063 56.202 56.287 -0.036 0.000 1.079 706 K CB 0.472 32.956 32.500 -0.027 0.000 0.857 706 K HN 0.067 nan 8.250 nan 0.000 0.535 707 S N 1.643 117.335 115.700 -0.014 0.000 2.576 707 S HA 0.221 4.691 4.470 0.000 0.000 0.276 707 S C -0.048 174.651 174.600 0.166 0.000 1.339 707 S CA 0.073 58.292 58.200 0.032 0.000 1.039 707 S CB 0.857 64.010 63.200 -0.077 0.000 0.902 707 S HN 0.054 nan 8.310 nan 0.000 0.516 708 K N 1.559 122.039 120.400 0.134 0.000 2.535 708 K HA 0.506 4.826 4.320 0.000 0.000 0.250 708 K C -1.854 174.807 176.600 0.102 0.000 0.948 708 K CA -0.631 55.715 56.287 0.099 0.000 0.796 708 K CB 1.429 33.934 32.500 0.008 0.000 1.216 708 K HN 0.219 nan 8.250 nan 0.000 0.432 709 L N 2.202 123.495 121.223 0.117 0.000 2.381 709 L HA 0.440 4.781 4.340 0.000 0.000 0.268 709 L C -0.769 176.086 176.870 -0.026 0.000 0.997 709 L CA -0.719 54.163 54.840 0.069 0.000 0.818 709 L CB 1.747 43.903 42.059 0.162 0.000 1.310 709 L HN 0.475 nan 8.230 nan 0.000 0.416 710 N N 3.691 122.365 118.700 -0.043 0.000 2.444 710 N HA 0.656 5.396 4.740 0.000 0.000 0.262 710 N C -1.185 174.277 175.510 -0.080 0.000 0.974 710 N CA -0.203 52.810 53.050 -0.061 0.000 0.933 710 N CB 1.546 40.007 38.487 -0.044 0.000 1.137 710 N HN 0.427 nan 8.380 nan 0.000 0.498 711 L N 1.401 122.552 121.223 -0.120 0.000 2.370 711 L HA 0.430 4.770 4.340 0.000 0.000 0.266 711 L C -0.570 176.313 176.870 0.021 0.000 1.002 711 L CA -0.930 53.821 54.840 -0.149 0.000 0.818 711 L CB 2.015 43.737 42.059 -0.562 0.000 1.325 711 L HN 0.492 nan 8.230 nan 0.000 0.418 712 H N 1.726 120.798 119.070 0.003 0.000 2.547 712 H HA 0.679 5.235 4.556 0.001 0.000 0.342 712 H C -0.769 174.658 175.328 0.165 0.000 1.048 712 H CA -0.409 55.674 56.048 0.059 0.000 1.204 712 H CB 1.725 31.500 29.762 0.021 0.000 1.493 712 H HN 0.687 nan 8.280 nan 0.000 0.511 713 A N 4.297 126.912 122.820 -0.340 0.000 2.289 713 A HA 0.688 5.008 4.320 0.000 0.000 0.298 713 A C 0.280 177.608 177.584 -0.426 0.000 1.208 713 A CA -0.047 51.887 52.037 -0.173 0.000 0.845 713 A CB -0.020 18.967 19.000 -0.022 0.000 1.125 713 A HN 0.957 nan 8.150 nan 0.000 0.517 714 A N 2.800 125.551 122.820 -0.114 0.000 2.292 714 A HA 0.312 4.633 4.320 0.000 0.000 0.265 714 A C 0.466 178.111 177.584 0.101 0.000 1.133 714 A CA -0.438 51.621 52.037 0.037 0.000 0.807 714 A CB -0.147 18.932 19.000 0.132 0.000 1.102 714 A HN 0.910 nan 8.150 nan 0.000 0.502 715 N N 0.033 118.847 118.700 0.190 0.000 2.434 715 N HA 0.334 5.074 4.740 0.000 0.000 0.268 715 N C 0.873 176.610 175.510 0.379 0.000 1.256 715 N CA 0.820 54.033 53.050 0.271 0.000 0.914 715 N CB 0.210 38.877 38.487 0.299 0.000 1.088 715 N HN 1.127 nan 8.380 nan 0.000 0.478 716 G N 1.440 110.396 108.800 0.260 0.000 2.198 716 G HA2 -0.217 3.744 3.960 0.000 0.000 0.260 716 G HA3 -0.217 3.744 3.960 0.000 0.000 0.260 716 G C 0.425 175.425 174.900 0.166 0.000 1.025 716 G CA 0.112 45.312 45.100 0.167 0.000 0.769 716 G HN 0.800 nan 8.290 nan 0.000 0.507 717 G N -1.718 107.159 108.800 0.128 0.000 3.119 717 G HA2 1.073 5.033 3.960 0.000 0.000 0.206 717 G HA3 1.073 5.033 3.960 0.000 0.000 0.206 717 G C 0.366 175.283 174.900 0.030 0.000 1.313 717 G CA 0.274 45.429 45.100 0.091 0.000 1.010 717 G HN 1.703 nan 8.290 nan 0.000 0.578 718 G N -2.234 106.580 108.800 0.022 0.000 2.336 718 G HA2 0.606 4.566 3.960 0.000 0.000 0.286 718 G HA3 0.606 4.566 3.960 0.000 0.000 0.286 718 G C -1.726 173.190 174.900 0.026 0.000 1.269 718 G CA 0.175 45.230 45.100 -0.074 0.000 0.873 718 G HN 1.735 nan 8.290 nan 0.000 0.494 719 Y N -2.499 117.807 120.300 0.009 0.000 2.656 719 Y HA 0.893 5.443 4.550 0.000 0.000 0.334 719 Y C -0.412 175.450 175.900 -0.062 0.000 1.179 719 Y CA -1.412 56.688 58.100 -0.000 0.000 1.050 719 Y CB 1.120 39.601 38.460 0.035 0.000 1.308 719 Y HN 1.711 nan 8.280 nan 0.000 0.456 720 A N 1.912 124.806 122.820 0.123 0.000 2.475 720 A HA 0.896 5.216 4.320 0.000 0.000 0.301 720 A C -1.694 175.897 177.584 0.012 0.000 1.059 720 A CA -0.870 51.031 52.037 -0.227 0.000 0.710 720 A CB 1.188 19.483 19.000 -1.174 0.000 1.288 720 A HN 0.760 nan 8.150 nan 0.000 0.408 721 I N 1.593 122.258 120.570 0.158 0.000 2.534 721 I HA 0.382 4.553 4.170 0.000 0.000 0.288 721 I C 0.021 176.439 176.117 0.502 0.000 1.077 721 I CA -0.566 60.938 61.300 0.341 0.000 1.051 721 I CB 2.558 40.735 38.000 0.295 0.000 1.234 721 I HN 0.656 nan 8.210 nan 0.000 0.425 722 S N 6.572 122.570 115.700 0.497 0.000 2.462 722 S HA 0.761 5.232 4.470 0.000 0.000 0.294 722 S C -0.608 174.012 174.600 0.034 0.000 1.144 722 S CA -0.625 57.719 58.200 0.241 0.000 1.088 722 S CB 1.306 64.758 63.200 0.420 0.000 1.009 722 S HN 0.515 nan 8.310 nan 0.000 0.484 723 I N 2.685 123.173 120.570 -0.136 0.000 2.537 723 I HA 0.319 4.490 4.170 0.000 0.000 0.276 723 I C -0.384 175.784 176.117 0.085 0.000 1.063 723 I CA -0.468 60.821 61.300 -0.018 0.000 1.144 723 I CB 1.140 39.111 38.000 -0.048 0.000 1.252 723 I HN 0.518 nan 8.210 nan 0.000 0.480 724 K N 5.023 125.495 120.400 0.120 0.000 2.211 724 K HA 0.302 4.622 4.320 0.000 0.000 0.275 724 K C -0.024 176.692 176.600 0.194 0.000 1.024 724 K CA -0.614 55.765 56.287 0.154 0.000 0.887 724 K CB 1.951 34.501 32.500 0.082 0.000 1.084 724 K HN 0.478 nan 8.250 nan 0.000 0.463 725 E N 2.608 122.906 120.200 0.163 0.000 2.414 725 E HA -0.004 4.346 4.350 0.000 0.000 0.263 725 E C -0.662 175.864 176.600 -0.124 0.000 1.000 725 E CA -0.423 55.877 56.400 -0.166 0.000 0.914 725 E CB 0.736 30.328 29.700 -0.180 0.000 0.948 725 E HN 0.181 nan 8.360 nan 0.000 0.444 726 V N 6.140 125.941 119.914 -0.189 0.000 2.479 726 V HA -0.042 4.078 4.120 0.000 0.000 0.281 726 V C 1.170 177.208 176.094 -0.093 0.000 1.031 726 V CA 0.562 62.797 62.300 -0.108 0.000 1.038 726 V CB 0.709 32.468 31.823 -0.108 0.000 0.981 726 V HN 0.783 nan 8.190 nan 0.000 0.478 727 K N 2.936 123.302 120.400 -0.056 0.000 2.313 727 K HA 0.209 4.530 4.320 0.000 0.000 0.197 727 K C 0.314 176.892 176.600 -0.038 0.000 1.061 727 K CA 0.073 56.333 56.287 -0.045 0.000 0.980 727 K CB 0.774 33.257 32.500 -0.029 0.000 0.888 727 K HN 0.556 nan 8.250 nan 0.000 0.502 728 D N 1.546 121.926 120.400 -0.033 0.000 2.696 728 D HA 0.072 4.712 4.640 0.000 0.000 0.251 728 D C 0.298 176.581 176.300 -0.029 0.000 1.188 728 D CA -0.361 53.622 54.000 -0.028 0.000 0.876 728 D CB 1.824 42.612 40.800 -0.020 0.000 1.334 728 D HN 0.210 nan 8.370 nan 0.000 0.540 729 K N 1.283 121.665 120.400 -0.030 0.000 2.189 729 K HA -0.213 4.107 4.320 0.000 0.000 0.207 729 K C 1.503 178.089 176.600 -0.022 0.000 1.046 729 K CA 1.521 57.791 56.287 -0.029 0.000 0.928 729 K CB -0.189 32.295 32.500 -0.026 0.000 0.720 729 K HN 0.160 nan 8.250 nan 0.000 0.458 730 S N 0.937 116.626 115.700 -0.018 0.000 2.465 730 S HA -0.137 4.333 4.470 0.000 0.000 0.241 730 S C 1.484 176.077 174.600 -0.012 0.000 1.000 730 S CA 1.240 59.432 58.200 -0.013 0.000 0.964 730 S CB -0.205 62.988 63.200 -0.011 0.000 0.763 730 S HN 0.494 nan 8.310 nan 0.000 0.512 731 E N 0.120 120.311 120.200 -0.014 0.000 2.358 731 E HA 0.120 4.470 4.350 0.000 0.000 0.195 731 E C 1.860 178.454 176.600 -0.011 0.000 1.010 731 E CA 0.691 57.085 56.400 -0.010 0.000 0.856 731 E CB -0.063 29.631 29.700 -0.010 0.000 0.795 731 E HN 0.593 nan 8.360 nan 0.000 0.504 732 A N 0.911 123.721 122.820 -0.017 0.000 2.267 732 A HA 0.065 4.386 4.320 0.000 0.000 0.213 732 A C 0.532 178.107 177.584 -0.015 0.000 1.192 732 A CA -0.143 51.883 52.037 -0.018 0.000 0.851 732 A CB 0.148 19.133 19.000 -0.026 0.000 0.881 732 A HN -0.104 nan 8.150 nan 0.000 0.494 733 K N 0.045 120.437 120.400 -0.013 0.000 2.511 733 K HA 0.341 4.662 4.320 0.000 0.000 0.280 733 K C 1.303 177.898 176.600 -0.009 0.000 1.008 733 K CA 1.148 57.429 56.287 -0.011 0.000 1.050 733 K CB -0.136 32.359 32.500 -0.009 0.000 0.889 733 K HN 0.718 nan 8.250 nan 0.000 0.484 734 G N 1.879 110.673 108.800 -0.010 0.000 2.234 734 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 734 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 734 G C -0.024 174.869 174.900 -0.012 0.000 0.987 734 G CA 0.121 45.215 45.100 -0.009 0.000 0.625 734 G HN 0.430 nan 8.290 nan 0.000 0.532 735 L N 0.487 121.702 121.223 -0.014 0.000 2.350 735 L HA 0.568 4.909 4.340 0.000 0.000 0.275 735 L C 0.683 177.540 176.870 -0.022 0.000 1.099 735 L CA -0.531 54.298 54.840 -0.018 0.000 0.808 735 L CB 1.226 43.274 42.059 -0.019 0.000 1.149 735 L HN 0.061 nan 8.230 nan 0.000 0.442 736 K N 2.165 122.550 120.400 -0.025 0.000 2.238 736 K HA 0.537 4.857 4.320 0.000 0.000 0.239 736 K C -0.641 175.937 176.600 -0.035 0.000 0.987 736 K CA -1.026 55.245 56.287 -0.027 0.000 0.857 736 K CB 1.638 34.123 32.500 -0.025 0.000 1.154 736 K HN 0.436 nan 8.250 nan 0.000 0.439 737 R N 1.277 121.756 120.500 -0.036 0.000 2.491 737 R HA 0.170 4.511 4.340 0.000 0.000 0.283 737 R C 0.100 176.370 176.300 -0.051 0.000 1.072 737 R CA -0.105 55.967 56.100 -0.047 0.000 1.048 737 R CB 0.182 30.458 30.300 -0.041 0.000 0.983 737 R HN 0.347 nan 8.270 nan 0.000 0.450 738 L N 0.000 121.181 121.223 -0.071 0.000 2.949 738 L HA 0.000 4.340 4.340 0.000 0.000 0.249 738 L CA 0.000 54.799 54.840 -0.069 0.000 0.813 738 L CB 0.000 42.001 42.059 -0.098 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502