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 2z82_1_A DATA FIRST_RESID 27 DATA SEQUENCE SLScDASGVc DGRSRSFTSI PSGLTAAMKS LDLSFNKITY IGHGDLRACA DATA SEQUENCE NLQVLILKSS RINTIEGDAF YSLGSLEHLD LSDNHLSSLS SSWFGPLSSL DATA SEQUENCE KYLNLMGNPY QTLGVTSLFP NLTNLQTLRI GNVETFSEIR RIDFAGLTSL DATA SEQUENCE NELEIKALSL RNYQSQSLKS IRDIHHLTLH LSESAFLLEI FADILSSVRY DATA SEQUENCE LELRDTNLAR FQFSPLPVDE VSSPMKKLAF RGSVLTDESF NELLKLLRYI DATA SEQUENCE LELSEVEFDD CTLNGLGDFN PSESDVVSEL GKVETVTIRR LHIPQFYLFY DATA SEQUENCE DLSTVYSLLE KVKRITVENS KVFLVPcSFS QHLKSLEFLD LSENLMVEEY DATA SEQUENCE LKNSAcKGAW PSLQTLVLSQ NHLRSMQKTG EILLTLKNLT SLDISRNTFH DATA SEQUENCE PMPDScQWPE KMRFLNLSST GIRVVKTcIP QTLEVLDVSN NNLDSFSLFL DATA SEQUENCE PRLQELYISR NKLKTLPDAS LFPVLLVMKI SRNQLKSVPD GIFDRLTSLQ DATA SEQUENCE KIWLHTNPWD cScPRIDYLS RWLNKNSQKE QGSAKcSGSG KPVRSIIcP 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.715 174.600 0.191 0.000 1.055 27 S CA 0.000 58.300 58.200 0.166 0.000 1.107 27 S CB 0.000 63.314 63.200 0.191 0.000 0.593 28 L N 1.273 122.618 121.223 0.204 0.000 2.350 28 L HA 0.926 5.264 4.340 -0.004 0.000 0.275 28 L C 0.094 177.015 176.870 0.085 0.000 1.099 28 L CA -0.278 54.661 54.840 0.165 0.000 0.808 28 L CB 0.808 42.986 42.059 0.199 0.000 1.149 28 L HN 0.154 nan 8.230 nan 0.000 0.442 29 S N 1.409 117.143 115.700 0.058 0.000 2.473 29 S HA 0.771 5.238 4.470 -0.004 0.000 0.307 29 S C -0.332 174.282 174.600 0.024 0.000 1.094 29 S CA -0.784 57.436 58.200 0.034 0.000 1.070 29 S CB 0.975 64.189 63.200 0.023 0.000 1.019 29 S HN 0.810 nan 8.310 nan 0.000 0.480 30 c N 2.844 121.455 118.600 0.018 0.000 2.454 30 c HA 0.775 5.342 4.570 -0.004 0.000 0.336 30 c C 0.379 174.471 174.090 0.003 0.000 1.189 30 c CA -0.798 55.537 56.329 0.010 0.000 1.877 30 c CB 0.803 43.319 42.510 0.010 0.000 2.348 30 c HN 1.016 nan 8.230 nan 0.000 0.508 31 D N 0.750 121.148 120.400 -0.002 0.000 2.466 31 D HA 0.434 5.072 4.640 -0.004 0.000 0.262 31 D C 0.814 177.110 176.300 -0.006 0.000 1.177 31 D CA -0.514 53.482 54.000 -0.006 0.000 1.035 31 D CB 0.580 41.374 40.800 -0.011 0.000 1.105 31 D HN 0.550 nan 8.370 nan 0.000 0.551 32 A N -0.303 122.513 122.820 -0.008 0.000 2.178 32 A HA -0.065 4.252 4.320 -0.004 0.000 0.218 32 A C 1.741 179.320 177.584 -0.009 0.000 1.157 32 A CA 1.026 53.058 52.037 -0.008 0.000 0.689 32 A CB -0.696 18.299 19.000 -0.009 0.000 0.787 32 A HN 0.432 nan 8.150 nan 0.000 0.465 33 S N -1.358 114.336 115.700 -0.011 0.000 2.575 33 S HA 0.379 4.846 4.470 -0.004 0.000 0.215 33 S C 1.205 175.797 174.600 -0.013 0.000 0.966 33 S CA 0.575 58.767 58.200 -0.013 0.000 0.911 33 S CB 0.107 63.296 63.200 -0.018 0.000 0.780 33 S HN 1.595 nan 8.310 nan 0.000 0.514 34 G N 1.181 109.976 108.800 -0.009 0.000 2.165 34 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.226 34 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.226 34 G C -0.184 174.711 174.900 -0.008 0.000 1.035 34 G CA -0.177 44.919 45.100 -0.006 0.000 0.744 34 G HN 0.407 nan 8.290 nan 0.000 0.501 35 V N 0.684 120.592 119.914 -0.010 0.000 2.313 35 V HA 0.440 4.557 4.120 -0.004 0.000 0.278 35 V C 0.673 176.765 176.094 -0.004 0.000 1.017 35 V CA -0.689 61.602 62.300 -0.014 0.000 0.823 35 V CB 1.199 33.008 31.823 -0.024 0.000 1.010 35 V HN 0.497 nan 8.190 nan 0.000 0.443 36 c N 3.422 122.025 118.600 0.005 0.000 2.341 36 c HA 0.596 5.164 4.570 -0.004 0.000 0.338 36 c C 0.184 174.287 174.090 0.021 0.000 1.257 36 c CA -0.690 55.650 56.329 0.019 0.000 1.883 36 c CB 0.984 43.514 42.510 0.033 0.000 2.334 36 c HN 0.869 nan 8.230 nan 0.000 0.524 37 D N 0.561 120.975 120.400 0.022 0.000 2.193 37 D HA 0.553 5.191 4.640 -0.004 0.000 0.244 37 D C 0.631 176.948 176.300 0.028 0.000 1.064 37 D CA -0.092 53.917 54.000 0.015 0.000 0.845 37 D CB 1.245 42.046 40.800 0.001 0.000 1.148 37 D HN 0.771 nan 8.370 nan 0.000 0.464 38 G N 3.148 111.954 108.800 0.010 0.000 3.581 38 G HA2 -0.014 3.943 3.960 -0.004 0.000 0.248 38 G HA3 -0.014 3.943 3.960 -0.004 0.000 0.248 38 G C 0.567 175.356 174.900 -0.186 0.000 1.037 38 G CA -0.476 44.604 45.100 -0.033 0.000 0.902 38 G HN 0.509 nan 8.290 nan 0.000 0.512 39 R N 1.296 121.751 120.500 -0.076 0.000 2.587 39 R HA 0.059 4.396 4.340 -0.004 0.000 0.268 39 R C 0.605 176.848 176.300 -0.095 0.000 0.978 39 R CA 0.883 56.964 56.100 -0.031 0.000 1.097 39 R CB -0.039 30.282 30.300 0.035 0.000 0.917 39 R HN 0.089 nan 8.270 nan 0.000 0.414 40 S N 2.404 118.086 115.700 -0.029 0.000 3.247 40 S HA -0.182 4.286 4.470 -0.004 0.000 0.341 40 S C 0.267 174.760 174.600 -0.178 0.000 0.924 40 S CA 1.112 59.272 58.200 -0.066 0.000 1.323 40 S CB -0.451 62.704 63.200 -0.075 0.000 0.918 40 S HN 0.709 nan 8.310 nan 0.000 0.523 41 R N 0.518 120.805 120.500 -0.355 0.000 2.600 41 R HA 0.259 4.596 4.340 -0.004 0.000 0.392 41 R C 1.013 177.120 176.300 -0.321 0.000 1.032 41 R CA 0.442 56.281 56.100 -0.434 0.000 1.139 41 R CB 0.283 30.120 30.300 -0.772 0.000 1.400 41 R HN 0.477 nan 8.270 nan 0.000 0.566 42 S N 0.258 115.857 115.700 -0.169 0.000 3.270 42 S HA -0.185 4.282 4.470 -0.004 0.000 0.293 42 S C 0.240 174.946 174.600 0.176 0.000 1.278 42 S CA 0.719 58.925 58.200 0.010 0.000 1.038 42 S CB -1.530 61.700 63.200 0.050 0.000 1.218 42 S HN 0.428 nan 8.310 nan 0.000 0.659 43 F N 1.562 121.525 119.950 0.022 0.000 2.607 43 F HA 0.064 4.589 4.527 -0.004 0.000 0.374 43 F C 1.979 177.788 175.800 0.014 0.000 1.104 43 F CA 0.416 58.426 58.000 0.016 0.000 1.296 43 F CB 0.522 39.529 39.000 0.012 0.000 1.085 43 F HN 0.256 nan 8.300 nan 0.000 0.584 44 T N -1.928 112.746 114.554 0.200 0.000 3.054 44 T HA 0.196 4.544 4.350 -0.004 0.000 0.255 44 T C -0.024 174.731 174.700 0.092 0.000 1.035 44 T CA 0.050 62.219 62.100 0.116 0.000 0.941 44 T CB -0.087 68.831 68.868 0.083 0.000 1.026 44 T HN 0.539 nan 8.240 nan 0.000 0.533 45 S N 0.677 116.429 115.700 0.086 0.000 2.586 45 S HA 0.520 4.988 4.470 -0.004 0.000 0.277 45 S C -0.914 173.683 174.600 -0.004 0.000 1.131 45 S CA -1.287 56.938 58.200 0.040 0.000 0.848 45 S CB 0.687 63.905 63.200 0.030 0.000 1.091 45 S HN 0.116 nan 8.310 nan 0.000 0.453 46 I N 2.734 123.295 120.570 -0.015 0.000 2.906 46 I HA 0.125 4.293 4.170 -0.004 0.000 0.302 46 I C -1.585 174.455 176.117 -0.127 0.000 1.220 46 I CA -1.035 60.246 61.300 -0.032 0.000 1.441 46 I CB -0.957 37.020 38.000 -0.039 0.000 1.336 46 I HN 0.575 nan 8.210 nan 0.000 0.565 47 P HA 0.070 nan 4.420 nan 0.000 0.269 47 P C -0.395 176.815 177.300 -0.150 0.000 1.209 47 P CA -0.234 62.678 63.100 -0.313 0.000 0.776 47 P CB 0.495 31.963 31.700 -0.386 0.000 0.876 48 S N 0.102 115.722 115.700 -0.134 0.000 2.652 48 S HA 0.558 5.025 4.470 -0.004 0.000 0.270 48 S C 0.898 175.464 174.600 -0.055 0.000 1.243 48 S CA -0.003 58.152 58.200 -0.075 0.000 0.999 48 S CB 0.348 63.510 63.200 -0.063 0.000 0.973 48 S HN 0.910 nan 8.310 nan 0.000 0.544 49 G N 0.684 109.465 108.800 -0.033 0.000 2.353 49 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.294 49 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.294 49 G C -0.308 174.582 174.900 -0.016 0.000 1.077 49 G CA -0.041 45.047 45.100 -0.021 0.000 1.098 49 G HN 0.629 nan 8.290 nan 0.000 0.511 50 L N -0.064 121.154 121.223 -0.010 0.000 2.454 50 L HA 0.832 5.170 4.340 -0.004 0.000 0.256 50 L C 1.291 178.164 176.870 0.004 0.000 1.136 50 L CA -0.129 54.711 54.840 0.000 0.000 0.804 50 L CB 1.346 43.408 42.059 0.006 0.000 1.181 50 L HN 0.566 nan 8.230 nan 0.000 0.469 51 T N -3.024 111.535 114.554 0.008 0.000 2.888 51 T HA 0.590 4.937 4.350 -0.004 0.000 0.288 51 T C 0.145 174.851 174.700 0.009 0.000 1.063 51 T CA -0.223 61.882 62.100 0.008 0.000 1.010 51 T CB 1.725 70.596 68.868 0.006 0.000 1.214 51 T HN 0.552 nan 8.240 nan 0.000 0.533 52 A N -0.440 122.385 122.820 0.008 0.000 2.337 52 A HA 0.666 4.984 4.320 -0.004 0.000 0.227 52 A C 1.911 179.497 177.584 0.004 0.000 1.259 52 A CA 0.454 52.495 52.037 0.007 0.000 0.870 52 A CB -1.044 17.960 19.000 0.006 0.000 0.927 52 A HN 1.154 nan 8.150 nan 0.000 0.497 53 A N -0.506 122.316 122.820 0.004 0.000 2.147 53 A HA 0.394 4.711 4.320 -0.004 0.000 0.211 53 A C 1.020 178.605 177.584 0.002 0.000 1.160 53 A CA 0.013 52.051 52.037 0.002 0.000 0.781 53 A CB -0.276 18.725 19.000 0.002 0.000 0.842 53 A HN 0.511 nan 8.150 nan 0.000 0.475 54 M N 0.415 120.018 119.600 0.005 0.000 2.228 54 M HA 0.197 4.675 4.480 -0.004 0.000 0.351 54 M C 0.710 177.011 176.300 0.003 0.000 1.233 54 M CA 0.061 55.365 55.300 0.006 0.000 1.129 54 M CB 0.817 33.425 32.600 0.012 0.000 1.604 54 M HN 0.012 nan 8.290 nan 0.000 0.457 55 K N 0.614 121.012 120.400 -0.003 0.000 2.387 55 K HA 0.198 4.516 4.320 -0.004 0.000 0.197 55 K C 0.221 176.813 176.600 -0.013 0.000 1.127 55 K CA 0.382 56.663 56.287 -0.008 0.000 0.950 55 K CB 0.930 33.421 32.500 -0.015 0.000 1.017 55 K HN 0.630 nan 8.250 nan 0.000 0.519 56 S N 0.957 116.648 115.700 -0.015 0.000 2.594 56 S HA 0.523 4.991 4.470 -0.004 0.000 0.296 56 S C -1.784 172.813 174.600 -0.006 0.000 1.124 56 S CA -0.724 57.462 58.200 -0.023 0.000 1.011 56 S CB 0.805 63.977 63.200 -0.047 0.000 1.016 56 S HN 0.099 nan 8.310 nan 0.000 0.485 57 L N 4.761 125.986 121.223 0.004 0.000 2.372 57 L HA 0.636 4.973 4.340 -0.004 0.000 0.273 57 L C -1.263 175.621 176.870 0.023 0.000 0.989 57 L CA -0.181 54.673 54.840 0.023 0.000 0.841 57 L CB 1.651 43.732 42.059 0.037 0.000 1.225 57 L HN 0.658 nan 8.230 nan 0.000 0.414 58 D N 5.550 125.963 120.400 0.022 0.000 2.392 58 D HA 0.314 4.952 4.640 -0.004 0.000 0.228 58 D C -0.610 175.706 176.300 0.027 0.000 1.074 58 D CA -0.073 53.938 54.000 0.017 0.000 0.838 58 D CB 0.995 41.799 40.800 0.006 0.000 1.067 58 D HN 0.627 nan 8.370 nan 0.000 0.511 59 L N 2.804 124.042 121.223 0.026 0.000 3.096 59 L HA 0.248 4.586 4.340 -0.004 0.000 0.272 59 L C 0.433 177.291 176.870 -0.019 0.000 1.311 59 L CA -0.402 54.452 54.840 0.023 0.000 0.943 59 L CB 0.618 42.728 42.059 0.085 0.000 1.348 59 L HN 0.128 nan 8.230 nan 0.000 0.562 60 S N -0.221 115.467 115.700 -0.020 0.000 2.603 60 S HA 0.412 4.879 4.470 -0.004 0.000 0.268 60 S C 0.311 174.917 174.600 0.010 0.000 1.317 60 S CA -0.289 57.842 58.200 -0.114 0.000 1.012 60 S CB 0.314 63.454 63.200 -0.100 0.000 0.926 60 S HN 0.400 nan 8.310 nan 0.000 0.539 61 F N 0.458 120.380 119.950 -0.047 0.000 2.943 61 F HA -0.222 4.302 4.527 -0.005 0.000 0.258 61 F C 0.430 176.184 175.800 -0.075 0.000 0.995 61 F CA 0.100 58.067 58.000 -0.055 0.000 0.896 61 F CB -1.735 37.233 39.000 -0.053 0.000 0.821 61 F HN 0.423 nan 8.300 nan 0.000 0.828 62 N N 0.408 119.122 118.700 0.025 0.000 2.653 62 N HA 0.422 5.159 4.740 -0.004 0.000 0.294 62 N C 0.229 175.748 175.510 0.015 0.000 1.305 62 N CA -0.895 52.159 53.050 0.007 0.000 0.827 62 N CB 1.188 39.673 38.487 -0.003 0.000 1.415 62 N HN 0.178 nan 8.380 nan 0.000 0.546 63 K N 1.091 121.516 120.400 0.042 0.000 3.129 63 K HA 0.420 4.738 4.320 -0.004 0.000 0.224 63 K C -0.321 176.304 176.600 0.042 0.000 1.249 63 K CA -0.057 56.249 56.287 0.032 0.000 1.177 63 K CB -0.123 32.406 32.500 0.049 0.000 1.393 63 K HN 0.374 nan 8.250 nan 0.000 0.459 64 I N 1.641 122.228 120.570 0.027 0.000 2.243 64 I HA -0.023 4.145 4.170 -0.004 0.000 0.297 64 I C 1.196 177.315 176.117 0.004 0.000 1.161 64 I CA 0.006 61.325 61.300 0.032 0.000 1.298 64 I CB 0.686 38.703 38.000 0.028 0.000 1.475 64 I HN 0.225 nan 8.210 nan 0.000 0.561 65 T N 4.218 118.797 114.554 0.040 0.000 2.812 65 T HA -0.141 4.206 4.350 -0.004 0.000 0.264 65 T C 0.130 174.895 174.700 0.109 0.000 1.042 65 T CA 1.436 63.572 62.100 0.060 0.000 1.140 65 T CB -0.064 68.856 68.868 0.088 0.000 0.870 65 T HN 0.432 nan 8.240 nan 0.000 0.445 66 Y N 0.372 120.657 120.300 -0.025 0.000 2.446 66 Y HA 0.601 5.149 4.550 -0.004 0.000 0.345 66 Y C -1.505 174.354 175.900 -0.069 0.000 0.984 66 Y CA -2.063 56.012 58.100 -0.042 0.000 1.058 66 Y CB 1.137 39.581 38.460 -0.026 0.000 1.220 66 Y HN -0.024 nan 8.280 nan 0.000 0.455 67 I N 5.868 125.897 120.570 -0.902 0.000 2.439 67 I HA 0.454 4.622 4.170 -0.004 0.000 0.285 67 I C 0.444 175.888 176.117 -1.122 0.000 1.021 67 I CA -0.718 60.126 61.300 -0.760 0.000 1.091 67 I CB 1.546 39.230 38.000 -0.528 0.000 1.242 67 I HN 0.855 nan 8.210 nan 0.000 0.439 68 G N 2.752 111.067 108.800 -0.808 0.000 2.535 68 G HA2 0.169 4.127 3.960 -0.004 0.000 0.282 68 G HA3 0.169 4.127 3.960 -0.004 0.000 0.282 68 G C 0.430 175.123 174.900 -0.346 0.000 1.350 68 G CA -0.036 44.764 45.100 -0.500 0.000 1.039 68 G HN 0.704 nan 8.290 nan 0.000 0.509 69 H N -0.969 118.037 119.070 -0.106 0.000 2.389 69 H HA 0.064 4.618 4.556 -0.004 0.000 0.299 69 H C 2.414 177.699 175.328 -0.070 0.000 1.081 69 H CA 1.498 57.492 56.048 -0.090 0.000 1.345 69 H CB 0.243 29.979 29.762 -0.044 0.000 1.393 69 H HN 0.485 nan 8.280 nan 0.000 0.520 70 G N -0.604 108.244 108.800 0.079 0.000 3.277 70 G HA2 -0.052 3.906 3.960 -0.004 0.000 0.243 70 G HA3 -0.052 3.906 3.960 -0.004 0.000 0.243 70 G C 0.707 175.608 174.900 0.000 0.000 1.107 70 G CA -0.099 45.025 45.100 0.039 0.000 0.771 70 G HN 0.223 nan 8.290 nan 0.000 0.544 71 D N 0.911 121.285 120.400 -0.043 0.000 2.178 71 D HA -0.040 4.597 4.640 -0.004 0.000 0.201 71 D C 1.693 177.975 176.300 -0.030 0.000 0.980 71 D CA 0.899 54.867 54.000 -0.052 0.000 0.842 71 D CB 0.315 41.053 40.800 -0.103 0.000 0.948 71 D HN 0.343 nan 8.370 nan 0.000 0.472 72 L N -0.032 121.178 121.223 -0.022 0.000 3.168 72 L HA 0.297 4.635 4.340 -0.004 0.000 0.277 72 L C 1.774 178.669 176.870 0.042 0.000 1.245 72 L CA -0.261 54.591 54.840 0.020 0.000 1.035 72 L CB 0.551 42.642 42.059 0.054 0.000 1.399 72 L HN -0.220 nan 8.230 nan 0.000 0.580 73 R N 1.085 121.607 120.500 0.037 0.000 2.148 73 R HA -0.087 4.251 4.340 -0.004 0.000 0.227 73 R C 2.152 178.480 176.300 0.046 0.000 1.103 73 R CA 1.396 57.530 56.100 0.056 0.000 0.983 73 R CB 0.121 30.456 30.300 0.058 0.000 0.874 73 R HN 0.438 nan 8.270 nan 0.000 0.451 74 A N 0.785 123.624 122.820 0.032 0.000 1.840 74 A HA -0.095 4.223 4.320 -0.004 0.000 0.214 74 A C 1.346 178.944 177.584 0.023 0.000 1.198 74 A CA 0.926 52.977 52.037 0.024 0.000 0.608 74 A CB -0.663 18.346 19.000 0.016 0.000 0.839 74 A HN 0.609 nan 8.150 nan 0.000 0.443 75 C N 0.435 119.750 119.300 0.025 0.000 2.996 75 C HA 0.517 4.974 4.460 -0.004 0.000 0.419 75 C C 1.555 176.560 174.990 0.024 0.000 1.081 75 C CA -0.637 58.395 59.018 0.023 0.000 1.160 75 C CB -2.101 25.654 27.740 0.026 0.000 1.687 75 C HN 0.546 nan 8.230 nan 0.000 0.575 76 A N 2.199 125.029 122.820 0.016 0.000 2.238 76 A HA 0.046 4.363 4.320 -0.004 0.000 0.208 76 A C 1.595 179.181 177.584 0.004 0.000 1.177 76 A CA 0.598 52.641 52.037 0.009 0.000 0.804 76 A CB -0.249 18.753 19.000 0.003 0.000 0.823 76 A HN 0.837 nan 8.150 nan 0.000 0.482 77 N N -0.462 118.242 118.700 0.006 0.000 2.200 77 N HA 0.137 4.875 4.740 -0.004 0.000 0.224 77 N C -0.533 174.979 175.510 0.003 0.000 1.179 77 N CA -0.217 52.835 53.050 0.002 0.000 0.877 77 N CB 0.574 39.062 38.487 0.000 0.000 1.072 77 N HN 0.312 nan 8.380 nan 0.000 0.519 78 L N 1.860 123.088 121.223 0.009 0.000 2.462 78 L HA 0.016 4.353 4.340 -0.004 0.000 0.272 78 L C 1.338 178.212 176.870 0.007 0.000 1.166 78 L CA 0.827 55.672 54.840 0.010 0.000 0.880 78 L CB 0.648 42.719 42.059 0.020 0.000 1.142 78 L HN 0.083 nan 8.230 nan 0.000 0.473 79 Q N 3.010 122.811 119.800 0.002 0.000 2.378 79 Q HA 0.263 4.601 4.340 -0.004 0.000 0.229 79 Q C -0.749 175.260 176.000 0.016 0.000 0.882 79 Q CA 0.103 55.909 55.803 0.004 0.000 0.936 79 Q CB 1.120 29.854 28.738 -0.007 0.000 1.092 79 Q HN 0.462 nan 8.270 nan 0.000 0.535 80 V N 1.839 121.755 119.914 0.004 0.000 2.623 80 V HA 0.342 4.459 4.120 -0.004 0.000 0.304 80 V C -1.433 174.674 176.094 0.021 0.000 1.054 80 V CA -0.803 61.502 62.300 0.009 0.000 0.882 80 V CB 2.175 33.944 31.823 -0.090 0.000 1.002 80 V HN 0.061 nan 8.190 nan 0.000 0.424 81 L N 6.642 127.902 121.223 0.061 0.000 2.372 81 L HA 0.660 4.997 4.340 -0.004 0.000 0.274 81 L C -0.765 176.148 176.870 0.071 0.000 0.988 81 L CA -0.051 54.814 54.840 0.043 0.000 0.833 81 L CB 1.377 43.440 42.059 0.007 0.000 1.236 81 L HN 0.586 nan 8.230 nan 0.000 0.410 82 I N 6.796 127.394 120.570 0.047 0.000 2.337 82 I HA 0.247 4.415 4.170 -0.004 0.000 0.285 82 I C 0.226 176.345 176.117 0.004 0.000 1.041 82 I CA -0.109 61.216 61.300 0.043 0.000 1.199 82 I CB 1.111 39.122 38.000 0.019 0.000 1.370 82 I HN 0.580 nan 8.210 nan 0.000 0.470 83 L N 6.225 127.442 121.223 -0.010 0.000 3.066 83 L HA 0.262 4.599 4.340 -0.004 0.000 0.265 83 L C 0.927 177.734 176.870 -0.106 0.000 1.232 83 L CA -0.159 54.654 54.840 -0.045 0.000 1.031 83 L CB -0.001 42.046 42.059 -0.021 0.000 1.379 83 L HN 0.518 nan 8.230 nan 0.000 0.563 84 K N 0.406 120.720 120.400 -0.143 0.000 2.469 84 K HA -0.048 4.270 4.320 -0.004 0.000 0.274 84 K C 0.904 177.240 176.600 -0.440 0.000 0.983 84 K CA 0.344 56.490 56.287 -0.236 0.000 0.974 84 K CB 0.591 32.953 32.500 -0.231 0.000 0.913 84 K HN -0.003 nan 8.250 nan 0.000 0.493 85 S N 1.367 116.835 115.700 -0.387 0.000 3.427 85 S HA -0.153 4.314 4.470 -0.004 0.000 0.373 85 S C -0.844 173.549 174.600 -0.345 0.000 0.973 85 S CA 0.666 58.617 58.200 -0.414 0.000 1.218 85 S CB -0.776 62.005 63.200 -0.698 0.000 0.912 85 S HN 0.630 nan 8.310 nan 0.000 0.483 86 S N 0.134 115.693 115.700 -0.235 0.000 2.704 86 S HA 0.527 4.994 4.470 -0.004 0.000 0.305 86 S C 0.505 174.973 174.600 -0.220 0.000 1.107 86 S CA -1.003 57.098 58.200 -0.165 0.000 0.993 86 S CB 1.273 64.401 63.200 -0.120 0.000 1.110 86 S HN 0.493 nan 8.310 nan 0.000 0.534 87 R N 0.976 121.335 120.500 -0.235 0.000 4.141 87 R HA 0.314 4.652 4.340 -0.004 0.000 0.281 87 R C -0.652 175.451 176.300 -0.328 0.000 1.608 87 R CA -0.031 55.778 56.100 -0.485 0.000 1.426 87 R CB -0.695 29.388 30.300 -0.362 0.000 1.432 87 R HN 0.460 nan 8.270 nan 0.000 0.708 88 I N 2.011 122.457 120.570 -0.206 0.000 2.533 88 I HA -0.044 4.123 4.170 -0.004 0.000 0.284 88 I C 0.763 176.886 176.117 0.010 0.000 1.109 88 I CA 0.144 61.394 61.300 -0.083 0.000 1.412 88 I CB 0.586 38.535 38.000 -0.085 0.000 1.396 88 I HN 0.414 nan 8.210 nan 0.000 0.543 89 N N 1.983 120.728 118.700 0.074 0.000 2.118 89 N HA 0.081 4.818 4.740 -0.004 0.000 0.226 89 N C -0.406 175.199 175.510 0.158 0.000 1.305 89 N CA -0.275 52.870 53.050 0.158 0.000 0.890 89 N CB 0.988 39.595 38.487 0.200 0.000 1.118 89 N HN 0.420 nan 8.380 nan 0.000 0.511 90 T N 1.163 115.788 114.554 0.119 0.000 3.109 90 T HA 0.518 4.866 4.350 -0.004 0.000 0.311 90 T C -1.155 173.528 174.700 -0.029 0.000 1.011 90 T CA -0.368 61.823 62.100 0.152 0.000 1.026 90 T CB 1.330 70.375 68.868 0.295 0.000 1.047 90 T HN 0.097 nan 8.240 nan 0.000 0.448 91 I N 2.397 122.957 120.570 -0.017 0.000 2.500 91 I HA 0.302 4.470 4.170 -0.004 0.000 0.286 91 I C -0.121 175.957 176.117 -0.064 0.000 1.063 91 I CA -1.075 60.029 61.300 -0.327 0.000 1.062 91 I CB 1.902 39.378 38.000 -0.874 0.000 1.223 91 I HN 0.377 nan 8.210 nan 0.000 0.435 92 E N 3.895 123.913 120.200 -0.302 0.000 2.414 92 E HA 0.019 4.366 4.350 -0.004 0.000 0.263 92 E C 1.277 177.858 176.600 -0.032 0.000 1.000 92 E CA 0.330 56.589 56.400 -0.236 0.000 0.914 92 E CB 1.102 30.362 29.700 -0.734 0.000 0.948 92 E HN 0.854 nan 8.360 nan 0.000 0.444 93 G N 3.481 112.329 108.800 0.080 0.000 2.597 93 G HA2 -0.303 3.654 3.960 -0.004 0.000 0.222 93 G HA3 -0.303 3.654 3.960 -0.004 0.000 0.222 93 G C 0.674 175.646 174.900 0.119 0.000 1.135 93 G CA 1.359 46.524 45.100 0.108 0.000 0.759 93 G HN 0.618 nan 8.290 nan 0.000 0.595 94 D N 0.277 120.676 120.400 -0.003 0.000 2.615 94 D HA 0.480 5.117 4.640 -0.004 0.000 0.236 94 D C 1.797 178.052 176.300 -0.074 0.000 1.233 94 D CA 0.404 54.413 54.000 0.015 0.000 0.829 94 D CB 0.223 41.003 40.800 -0.032 0.000 1.024 94 D HN 0.248 nan 8.370 nan 0.000 0.490 95 A N 0.333 122.951 122.820 -0.337 0.000 1.972 95 A HA -0.098 4.219 4.320 -0.004 0.000 0.219 95 A C 0.924 178.252 177.584 -0.427 0.000 1.169 95 A CA 0.730 52.431 52.037 -0.560 0.000 0.635 95 A CB -0.681 17.705 19.000 -1.024 0.000 0.810 95 A HN 0.253 nan 8.150 nan 0.000 0.446 96 F N -2.066 117.878 119.950 -0.010 0.000 2.916 96 F HA 0.296 4.821 4.527 -0.003 0.000 0.294 96 F C 1.023 176.891 175.800 0.114 0.000 1.189 96 F CA -1.224 56.791 58.000 0.026 0.000 1.369 96 F CB -0.784 38.219 39.000 0.004 0.000 0.961 96 F HN 0.297 nan 8.300 nan 0.000 0.508 97 Y N 1.424 121.794 120.300 0.117 0.000 2.293 97 Y HA -0.181 4.366 4.550 -0.004 0.000 0.291 97 Y C 2.244 178.197 175.900 0.088 0.000 1.137 97 Y CA 1.554 59.712 58.100 0.097 0.000 1.202 97 Y CB -0.067 38.429 38.460 0.061 0.000 0.990 97 Y HN 0.167 nan 8.280 nan 0.000 0.537 98 S N -1.090 114.646 115.700 0.059 0.000 2.556 98 S HA 0.178 4.646 4.470 -0.004 0.000 0.216 98 S C 0.607 175.204 174.600 -0.006 0.000 0.970 98 S CA -0.220 57.958 58.200 -0.036 0.000 0.912 98 S CB -0.538 62.681 63.200 0.031 0.000 0.790 98 S HN 0.279 nan 8.310 nan 0.000 0.504 99 L N 2.624 123.876 121.223 0.048 0.000 2.583 99 L HA 0.356 4.693 4.340 -0.004 0.000 0.239 99 L C 1.616 178.495 176.870 0.014 0.000 1.347 99 L CA -0.400 54.467 54.840 0.045 0.000 1.246 99 L CB -0.477 41.631 42.059 0.082 0.000 1.496 99 L HN 0.437 nan 8.230 nan 0.000 0.413 100 G N -0.797 107.993 108.800 -0.017 0.000 2.744 100 G HA2 -0.105 3.852 3.960 -0.004 0.000 0.211 100 G HA3 -0.105 3.852 3.960 -0.004 0.000 0.211 100 G C 1.229 176.124 174.900 -0.008 0.000 1.143 100 G CA 0.163 45.249 45.100 -0.023 0.000 0.788 100 G HN 0.453 nan 8.290 nan 0.000 0.534 101 S N -0.456 115.242 115.700 -0.004 0.000 2.554 101 S HA 0.254 4.722 4.470 -0.004 0.000 0.226 101 S C 0.233 174.836 174.600 0.005 0.000 0.980 101 S CA -0.627 57.572 58.200 -0.001 0.000 0.939 101 S CB 0.302 63.501 63.200 -0.002 0.000 0.832 101 S HN 0.209 nan 8.310 nan 0.000 0.486 102 L N 2.803 124.030 121.223 0.006 0.000 2.477 102 L HA 0.184 4.522 4.340 -0.004 0.000 0.272 102 L C 0.823 177.703 176.870 0.016 0.000 1.157 102 L CA 0.932 55.776 54.840 0.007 0.000 0.889 102 L CB 0.376 42.426 42.059 -0.015 0.000 1.158 102 L HN 0.110 nan 8.230 nan 0.000 0.473 103 E N 2.249 122.471 120.200 0.037 0.000 2.413 103 E HA 0.067 4.414 4.350 -0.004 0.000 0.203 103 E C -0.489 176.180 176.600 0.116 0.000 0.957 103 E CA 0.118 56.551 56.400 0.056 0.000 0.950 103 E CB 0.480 30.209 29.700 0.048 0.000 0.957 103 E HN 0.668 nan 8.360 nan 0.000 0.497 104 H N 0.398 119.469 119.070 0.000 0.000 3.013 104 H HA 0.357 4.910 4.556 -0.005 0.000 0.326 104 H C -1.815 173.529 175.328 0.026 0.000 0.973 104 H CA -0.882 55.186 56.048 0.032 0.000 1.369 104 H CB 0.884 30.603 29.762 -0.071 0.000 1.598 104 H HN -0.076 nan 8.280 nan 0.000 0.518 105 L N 4.698 125.903 121.223 -0.031 0.000 2.325 105 L HA 0.421 4.758 4.340 -0.004 0.000 0.281 105 L C -1.295 175.558 176.870 -0.029 0.000 1.004 105 L CA -0.484 54.330 54.840 -0.043 0.000 0.823 105 L CB 1.538 43.518 42.059 -0.132 0.000 1.236 105 L HN 0.721 nan 8.230 nan 0.000 0.415 106 D N 4.544 124.969 120.400 0.041 0.000 2.462 106 D HA 0.351 4.989 4.640 -0.004 0.000 0.245 106 D C -0.129 176.184 176.300 0.022 0.000 1.122 106 D CA -0.077 53.963 54.000 0.067 0.000 0.864 106 D CB 0.921 41.811 40.800 0.150 0.000 1.098 106 D HN 0.638 nan 8.370 nan 0.000 0.541 107 L N 2.256 123.490 121.223 0.019 0.000 2.906 107 L HA 0.178 4.516 4.340 -0.004 0.000 0.255 107 L C 0.786 177.671 176.870 0.024 0.000 1.166 107 L CA -0.318 54.535 54.840 0.022 0.000 0.977 107 L CB 0.222 42.322 42.059 0.069 0.000 1.313 107 L HN 0.317 nan 8.230 nan 0.000 0.549 108 S N -0.744 114.961 115.700 0.009 0.000 2.566 108 S HA -0.044 4.423 4.470 -0.004 0.000 0.280 108 S C 0.356 174.940 174.600 -0.027 0.000 1.343 108 S CA -0.329 57.871 58.200 -0.001 0.000 1.036 108 S CB 0.345 63.539 63.200 -0.009 0.000 0.866 108 S HN 0.389 nan 8.310 nan 0.000 0.526 109 D N 0.764 121.155 120.400 -0.014 0.000 2.689 109 D HA -0.145 4.493 4.640 -0.004 0.000 0.237 109 D C -0.354 175.946 176.300 0.001 0.000 1.148 109 D CA 1.090 55.085 54.000 -0.009 0.000 0.656 109 D CB -1.827 38.952 40.800 -0.036 0.000 1.050 109 D HN 0.677 nan 8.370 nan 0.000 0.426 110 N N -1.031 117.697 118.700 0.046 0.000 3.184 110 N HA 0.382 5.119 4.740 -0.004 0.000 0.353 110 N C 0.318 175.977 175.510 0.249 0.000 1.441 110 N CA -0.580 52.492 53.050 0.037 0.000 0.723 110 N CB 0.730 39.216 38.487 -0.001 0.000 1.547 110 N HN 0.163 nan 8.380 nan 0.000 0.624 111 H N -0.158 118.940 119.070 0.048 0.000 2.524 111 H HA 0.290 4.843 4.556 -0.004 0.000 0.297 111 H C -0.599 174.792 175.328 0.106 0.000 1.115 111 H CA -0.529 55.557 56.048 0.063 0.000 1.027 111 H CB 0.255 30.050 29.762 0.055 0.000 1.591 111 H HN -0.032 nan 8.280 nan 0.000 0.543 112 L N 2.351 123.731 121.223 0.261 0.000 2.315 112 L HA 0.037 4.374 4.340 -0.004 0.000 0.283 112 L C 1.206 178.265 176.870 0.314 0.000 1.089 112 L CA 0.273 55.295 54.840 0.303 0.000 0.833 112 L CB 0.784 43.066 42.059 0.371 0.000 1.170 112 L HN 0.289 nan 8.230 nan 0.000 0.442 113 S N 0.169 116.021 115.700 0.254 0.000 2.602 113 S HA 0.323 4.790 4.470 -0.004 0.000 0.240 113 S C 0.377 175.103 174.600 0.211 0.000 0.992 113 S CA -0.263 58.072 58.200 0.224 0.000 0.971 113 S CB 0.260 63.541 63.200 0.136 0.000 0.855 113 S HN 0.511 nan 8.310 nan 0.000 0.481 114 S N 0.748 116.572 115.700 0.208 0.000 2.590 114 S HA 0.520 4.987 4.470 -0.004 0.000 0.286 114 S C -1.315 173.284 174.600 -0.000 0.000 1.147 114 S CA -0.770 57.476 58.200 0.076 0.000 0.963 114 S CB 0.492 63.710 63.200 0.029 0.000 1.124 114 S HN 0.418 nan 8.310 nan 0.000 0.458 115 L N 3.121 124.246 121.223 -0.164 0.000 2.334 115 L HA 0.705 5.042 4.340 -0.004 0.000 0.275 115 L C 0.324 176.758 176.870 -0.726 0.000 1.036 115 L CA -0.735 53.874 54.840 -0.385 0.000 0.807 115 L CB 1.914 43.848 42.059 -0.207 0.000 1.231 115 L HN 0.628 nan 8.230 nan 0.000 0.438 116 S N -0.364 114.460 115.700 -1.460 0.000 2.478 116 S HA 0.215 4.682 4.470 -0.004 0.000 0.312 116 S C 0.914 174.973 174.600 -0.903 0.000 1.094 116 S CA -0.448 57.027 58.200 -1.209 0.000 1.081 116 S CB 1.534 63.787 63.200 -1.578 0.000 1.007 116 S HN 0.730 nan 8.310 nan 0.000 0.475 117 S N 3.717 119.120 115.700 -0.495 0.000 2.442 117 S HA -0.078 4.389 4.470 -0.004 0.000 0.236 117 S C 1.695 176.165 174.600 -0.217 0.000 1.007 117 S CA 1.348 59.380 58.200 -0.280 0.000 0.965 117 S CB -0.448 62.632 63.200 -0.201 0.000 0.773 117 S HN 0.584 nan 8.310 nan 0.000 0.504 118 S N 0.524 116.052 115.700 -0.287 0.000 2.447 118 S HA 0.014 4.482 4.470 -0.004 0.000 0.233 118 S C 1.253 175.864 174.600 0.019 0.000 1.006 118 S CA 0.789 58.916 58.200 -0.122 0.000 0.957 118 S CB -0.416 62.707 63.200 -0.128 0.000 0.773 118 S HN 0.698 nan 8.310 nan 0.000 0.507 119 W N 1.054 122.193 121.300 -0.267 0.000 2.378 119 W HA 0.084 4.742 4.660 -0.004 0.000 0.313 119 W C 1.420 177.861 176.519 -0.129 0.000 1.197 119 W CA 0.233 57.426 57.345 -0.254 0.000 1.304 119 W CB -1.429 27.671 29.460 -0.600 0.000 1.148 119 W HN 0.311 nan 8.180 nan 0.000 0.494 120 F N 0.341 120.516 119.950 0.376 0.000 2.780 120 F HA 0.212 4.737 4.527 -0.003 0.000 0.299 120 F C 2.350 178.242 175.800 0.153 0.000 1.146 120 F CA 0.356 58.486 58.000 0.216 0.000 1.428 120 F CB -1.552 37.547 39.000 0.165 0.000 1.115 120 F HN -0.142 nan 8.300 nan 0.000 0.583 121 G N 1.928 110.874 108.800 0.243 0.000 2.476 121 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.218 121 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.218 121 G C -0.578 174.425 174.900 0.172 0.000 1.164 121 G CA 0.691 45.899 45.100 0.180 0.000 0.768 121 G HN 0.267 nan 8.290 nan 0.000 0.560 122 P HA 0.209 nan 4.420 nan 0.000 0.256 122 P C 0.070 177.422 177.300 0.088 0.000 1.384 122 P CA 0.145 63.312 63.100 0.113 0.000 0.879 122 P CB -0.076 31.688 31.700 0.106 0.000 1.403 123 L N 0.607 121.907 121.223 0.128 0.000 2.843 123 L HA 0.233 4.571 4.340 -0.004 0.000 0.234 123 L C 1.645 178.558 176.870 0.072 0.000 1.264 123 L CA -0.208 54.689 54.840 0.094 0.000 1.052 123 L CB 0.117 42.248 42.059 0.120 0.000 1.372 123 L HN -0.115 nan 8.230 nan 0.000 0.466 124 S N -2.379 113.351 115.700 0.050 0.000 2.507 124 S HA -0.075 4.392 4.470 -0.004 0.000 0.235 124 S C 1.351 175.965 174.600 0.023 0.000 0.988 124 S CA 0.632 58.855 58.200 0.038 0.000 0.944 124 S CB -0.035 63.182 63.200 0.027 0.000 0.762 124 S HN 0.448 nan 8.310 nan 0.000 0.526 125 S N 0.984 116.695 115.700 0.019 0.000 2.582 125 S HA 0.392 4.859 4.470 -0.004 0.000 0.234 125 S C -0.160 174.447 174.600 0.011 0.000 0.961 125 S CA -0.554 57.652 58.200 0.011 0.000 0.953 125 S CB -0.155 63.049 63.200 0.007 0.000 0.800 125 S HN 0.425 nan 8.310 nan 0.000 0.471 126 L N 2.476 123.706 121.223 0.011 0.000 2.313 126 L HA 0.301 4.638 4.340 -0.004 0.000 0.282 126 L C 0.831 177.691 176.870 -0.016 0.000 1.092 126 L CA 0.667 55.507 54.840 -0.001 0.000 0.831 126 L CB 0.504 42.559 42.059 -0.007 0.000 1.159 126 L HN -0.047 nan 8.230 nan 0.000 0.442 127 K N 3.958 124.361 120.400 0.005 0.000 2.365 127 K HA 0.093 4.411 4.320 -0.004 0.000 0.195 127 K C -0.747 175.865 176.600 0.019 0.000 1.079 127 K CA 0.164 56.455 56.287 0.007 0.000 0.979 127 K CB 0.645 33.166 32.500 0.036 0.000 0.929 127 K HN 0.511 nan 8.250 nan 0.000 0.523 128 Y N 0.980 121.189 120.300 -0.152 0.000 2.346 128 Y HA 0.420 4.967 4.550 -0.005 0.000 0.332 128 Y C -1.778 173.924 175.900 -0.329 0.000 0.985 128 Y CA -1.447 56.505 58.100 -0.248 0.000 1.112 128 Y CB 1.311 39.592 38.460 -0.297 0.000 1.170 128 Y HN -0.192 nan 8.280 nan 0.000 0.447 129 L N 7.476 128.307 121.223 -0.653 0.000 2.377 129 L HA 0.498 4.835 4.340 -0.004 0.000 0.270 129 L C -1.705 174.789 176.870 -0.626 0.000 0.991 129 L CA -0.398 54.122 54.840 -0.533 0.000 0.851 129 L CB 1.161 42.944 42.059 -0.460 0.000 1.218 129 L HN 0.746 nan 8.230 nan 0.000 0.420 130 N N 5.359 123.773 118.700 -0.477 0.000 2.501 130 N HA 0.352 5.089 4.740 -0.004 0.000 0.245 130 N C -0.206 175.241 175.510 -0.104 0.000 0.974 130 N CA -0.228 52.632 53.050 -0.317 0.000 0.941 130 N CB 1.041 39.421 38.487 -0.178 0.000 1.122 130 N HN 0.772 nan 8.380 nan 0.000 0.507 131 L N 2.380 123.568 121.223 -0.057 0.000 2.766 131 L HA 0.344 4.681 4.340 -0.004 0.000 0.242 131 L C 1.242 178.209 176.870 0.162 0.000 1.136 131 L CA -0.190 54.715 54.840 0.108 0.000 0.933 131 L CB 0.024 42.171 42.059 0.147 0.000 1.241 131 L HN 0.431 nan 8.230 nan 0.000 0.522 132 M N -0.113 119.500 119.600 0.021 0.000 2.228 132 M HA 0.163 4.640 4.480 -0.004 0.000 0.303 132 M C 1.469 177.738 176.300 -0.052 0.000 1.099 132 M CA 1.845 57.117 55.300 -0.046 0.000 1.171 132 M CB 0.460 33.000 32.600 -0.100 0.000 1.412 132 M HN 0.229 nan 8.290 nan 0.000 0.447 133 G N 1.330 110.055 108.800 -0.124 0.000 2.184 133 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.264 133 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.264 133 G C -0.394 174.451 174.900 -0.091 0.000 0.975 133 G CA 0.597 45.639 45.100 -0.097 0.000 0.642 133 G HN 0.735 nan 8.290 nan 0.000 0.536 134 N N 1.157 119.771 118.700 -0.144 0.000 2.487 134 N HA 0.521 5.258 4.740 -0.004 0.000 0.292 134 N C -1.673 173.644 175.510 -0.323 0.000 1.108 134 N CA -1.456 51.545 53.050 -0.081 0.000 0.956 134 N CB 1.722 40.323 38.487 0.190 0.000 1.176 134 N HN 0.006 nan 8.380 nan 0.000 0.484 135 P HA -0.054 nan 4.420 nan 0.000 0.271 135 P C -0.998 176.281 177.300 -0.035 0.000 1.535 135 P CA 0.127 63.161 63.100 -0.110 0.000 0.820 135 P CB -0.643 31.036 31.700 -0.035 0.000 1.606 136 Y N -2.099 118.273 120.300 0.120 0.000 2.357 136 Y HA 0.261 4.809 4.550 -0.005 0.000 0.340 136 Y C 1.833 177.844 175.900 0.186 0.000 1.260 136 Y CA -0.645 57.538 58.100 0.139 0.000 1.425 136 Y CB -0.101 38.449 38.460 0.149 0.000 1.326 136 Y HN -0.147 nan 8.280 nan 0.000 0.580 137 Q N 0.268 120.271 119.800 0.339 0.000 2.339 137 Q HA 0.134 4.472 4.340 -0.004 0.000 0.205 137 Q C -0.333 175.792 176.000 0.207 0.000 0.925 137 Q CA 1.047 56.975 55.803 0.208 0.000 0.898 137 Q CB 0.491 29.284 28.738 0.091 0.000 1.013 137 Q HN 1.008 nan 8.270 nan 0.000 0.504 138 T N -4.719 110.015 114.554 0.301 0.000 2.762 138 T HA 0.311 4.658 4.350 -0.004 0.000 0.301 138 T C 0.347 175.177 174.700 0.217 0.000 1.299 138 T CA -0.779 61.451 62.100 0.217 0.000 1.005 138 T CB 0.184 69.054 68.868 0.004 0.000 1.377 138 T HN 0.048 nan 8.240 nan 0.000 0.504 139 L N 1.053 122.343 121.223 0.111 0.000 2.610 139 L HA 0.423 4.761 4.340 -0.004 0.000 0.232 139 L C 1.494 178.257 176.870 -0.179 0.000 1.149 139 L CA 0.875 55.641 54.840 -0.123 0.000 0.872 139 L CB -1.089 40.887 42.059 -0.139 0.000 0.992 139 L HN 1.249 nan 8.230 nan 0.000 0.447 140 G N -1.005 107.726 108.800 -0.115 0.000 2.592 140 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.684 140 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.684 140 G C -0.037 174.781 174.900 -0.136 0.000 1.291 140 G CA -0.490 44.529 45.100 -0.136 0.000 0.891 140 G HN -0.317 nan 8.290 nan 0.000 0.544 141 V N 0.525 120.360 119.914 -0.132 0.000 3.406 141 V HA 0.230 4.348 4.120 -0.004 0.000 0.263 141 V C 1.418 177.434 176.094 -0.130 0.000 1.172 141 V CA 2.260 64.490 62.300 -0.117 0.000 1.140 141 V CB 0.044 31.809 31.823 -0.096 0.000 0.784 141 V HN 0.853 nan 8.190 nan 0.000 0.467 142 T N 0.041 114.499 114.554 -0.160 0.000 2.841 142 T HA 0.276 4.623 4.350 -0.004 0.000 0.283 142 T C 0.099 174.676 174.700 -0.204 0.000 1.000 142 T CA -0.242 61.762 62.100 -0.160 0.000 0.977 142 T CB 1.556 70.332 68.868 -0.155 0.000 0.979 142 T HN 0.163 nan 8.240 nan 0.000 0.446 143 S N 3.271 118.862 115.700 -0.181 0.000 2.670 143 S HA 0.016 4.484 4.470 -0.004 0.000 0.308 143 S C 1.550 175.970 174.600 -0.300 0.000 1.232 143 S CA -0.264 57.801 58.200 -0.224 0.000 1.126 143 S CB -0.230 62.894 63.200 -0.126 0.000 0.897 143 S HN 0.513 nan 8.310 nan 0.000 0.508 144 L N 2.023 122.898 121.223 -0.579 0.000 2.395 144 L HA 0.047 4.384 4.340 -0.004 0.000 0.218 144 L C 0.579 177.082 176.870 -0.612 0.000 1.130 144 L CA 0.952 55.392 54.840 -0.667 0.000 0.826 144 L CB -0.268 41.211 42.059 -0.967 0.000 0.941 144 L HN 0.627 nan 8.230 nan 0.000 0.451 145 F N -1.827 118.120 119.950 -0.005 0.000 2.683 145 F HA 0.249 4.775 4.527 -0.003 0.000 0.306 145 F C -0.965 174.839 175.800 0.007 0.000 1.102 145 F CA -1.620 56.368 58.000 -0.021 0.000 1.244 145 F CB -1.109 37.846 39.000 -0.074 0.000 1.029 145 F HN -0.066 nan 8.300 nan 0.000 0.545 146 P HA -0.196 nan 4.420 nan 0.000 0.216 146 P C 0.572 177.927 177.300 0.091 0.000 1.150 146 P CA 1.702 64.857 63.100 0.092 0.000 0.837 146 P CB 0.069 31.797 31.700 0.045 0.000 0.786 147 N N -0.264 118.496 118.700 0.101 0.000 2.309 147 N HA -0.009 4.729 4.740 -0.004 0.000 0.182 147 N C 0.568 176.133 175.510 0.092 0.000 1.018 147 N CA 0.072 53.178 53.050 0.095 0.000 0.876 147 N CB -0.405 38.149 38.487 0.111 0.000 0.972 147 N HN 0.172 nan 8.380 nan 0.000 0.434 148 L N 1.657 122.946 121.223 0.111 0.000 2.448 148 L HA 0.102 4.439 4.340 -0.004 0.000 0.278 148 L C 0.613 177.505 176.870 0.035 0.000 1.201 148 L CA -0.091 54.790 54.840 0.069 0.000 1.036 148 L CB 0.061 42.155 42.059 0.058 0.000 1.325 148 L HN 0.112 nan 8.230 nan 0.000 0.441 149 T N -1.145 113.425 114.554 0.028 0.000 3.067 149 T HA 0.000 4.348 4.350 -0.004 0.000 0.261 149 T C 1.359 176.057 174.700 -0.004 0.000 1.110 149 T CA 0.642 62.751 62.100 0.015 0.000 1.113 149 T CB 0.022 68.901 68.868 0.018 0.000 0.917 149 T HN 0.468 nan 8.240 nan 0.000 0.499 150 N N 0.919 119.613 118.700 -0.009 0.000 2.204 150 N HA 0.188 4.925 4.740 -0.004 0.000 0.219 150 N C -0.284 175.202 175.510 -0.040 0.000 1.151 150 N CA -0.194 52.843 53.050 -0.020 0.000 0.867 150 N CB 0.451 38.931 38.487 -0.010 0.000 1.043 150 N HN 0.261 nan 8.380 nan 0.000 0.516 151 L N 1.771 122.960 121.223 -0.057 0.000 2.499 151 L HA -0.034 4.304 4.340 -0.004 0.000 0.273 151 L C 1.278 178.079 176.870 -0.116 0.000 1.195 151 L CA 1.000 55.780 54.840 -0.101 0.000 0.882 151 L CB 0.646 42.617 42.059 -0.147 0.000 1.133 151 L HN 0.095 nan 8.230 nan 0.000 0.483 152 Q N 1.636 121.366 119.800 -0.117 0.000 2.422 152 Q HA 0.232 4.570 4.340 -0.004 0.000 0.255 152 Q C -0.327 175.580 176.000 -0.155 0.000 0.864 152 Q CA 0.283 56.011 55.803 -0.125 0.000 0.968 152 Q CB 0.805 29.495 28.738 -0.079 0.000 1.130 152 Q HN 0.696 nan 8.270 nan 0.000 0.556 153 T N 1.274 115.725 114.554 -0.172 0.000 2.881 153 T HA 0.584 4.931 4.350 -0.004 0.000 0.290 153 T C -1.684 172.756 174.700 -0.433 0.000 1.000 153 T CA -0.453 61.496 62.100 -0.252 0.000 0.978 153 T CB 1.841 70.626 68.868 -0.138 0.000 0.997 153 T HN -0.023 nan 8.240 nan 0.000 0.443 154 L N 3.270 124.231 121.223 -0.436 0.000 2.493 154 L HA 0.684 5.021 4.340 -0.004 0.000 0.265 154 L C -1.407 175.227 176.870 -0.393 0.000 0.954 154 L CA -0.479 54.069 54.840 -0.488 0.000 0.844 154 L CB 1.746 43.491 42.059 -0.523 0.000 1.302 154 L HN 0.588 nan 8.230 nan 0.000 0.405 155 R N 6.193 126.469 120.500 -0.374 0.000 2.561 155 R HA 0.869 5.206 4.340 -0.004 0.000 0.297 155 R C -0.960 175.235 176.300 -0.176 0.000 0.969 155 R CA -0.666 55.282 56.100 -0.254 0.000 0.879 155 R CB 2.093 32.246 30.300 -0.243 0.000 1.178 155 R HN 0.797 nan 8.270 nan 0.000 0.445 156 I N -1.837 118.649 120.570 -0.139 0.000 3.191 156 I HA 0.912 5.080 4.170 -0.004 0.000 0.313 156 I C -0.024 175.939 176.117 -0.257 0.000 1.193 156 I CA -0.730 60.509 61.300 -0.102 0.000 0.968 156 I CB 2.526 40.475 38.000 -0.085 0.000 1.262 156 I HN 0.718 nan 8.210 nan 0.000 0.456 157 G N 2.684 111.275 108.800 -0.348 0.000 2.631 157 G HA2 0.109 4.066 3.960 -0.004 0.000 0.504 157 G HA3 0.109 4.066 3.960 -0.004 0.000 0.504 157 G C -1.389 173.268 174.900 -0.405 0.000 1.306 157 G CA -0.126 44.571 45.100 -0.672 0.000 0.897 157 G HN 1.772 nan 8.290 nan 0.000 0.520 158 N N -3.537 115.019 118.700 -0.240 0.000 3.378 158 N HA 0.613 5.351 4.740 -0.004 0.000 0.294 158 N C 0.461 175.937 175.510 -0.057 0.000 1.544 158 N CA 0.153 53.099 53.050 -0.172 0.000 0.872 158 N CB 0.834 39.191 38.487 -0.217 0.000 1.670 158 N HN 0.940 nan 8.380 nan 0.000 0.551 159 V N -0.308 119.579 119.914 -0.045 0.000 2.426 159 V HA 0.113 4.231 4.120 -0.004 0.000 0.242 159 V C 1.658 177.770 176.094 0.030 0.000 1.036 159 V CA 1.384 63.685 62.300 0.001 0.000 1.044 159 V CB -0.657 31.164 31.823 -0.003 0.000 0.688 159 V HN 0.678 nan 8.190 nan 0.000 0.462 160 E N 0.313 120.522 120.200 0.015 0.000 2.216 160 E HA -0.059 4.288 4.350 -0.004 0.000 0.192 160 E C 2.086 178.705 176.600 0.032 0.000 0.973 160 E CA 1.565 57.978 56.400 0.023 0.000 0.851 160 E CB 0.215 29.920 29.700 0.008 0.000 0.804 160 E HN 0.773 nan 8.360 nan 0.000 0.477 161 T N -1.912 112.664 114.554 0.035 0.000 2.964 161 T HA 0.064 4.411 4.350 -0.004 0.000 0.250 161 T C 0.508 175.271 174.700 0.105 0.000 0.982 161 T CA -0.527 61.603 62.100 0.051 0.000 0.959 161 T CB -0.355 68.531 68.868 0.029 0.000 1.141 161 T HN -0.031 nan 8.240 nan 0.000 0.494 162 F N 4.732 124.659 119.950 -0.038 0.000 2.539 162 F HA 0.317 4.842 4.527 -0.004 0.000 0.393 162 F C 1.154 176.980 175.800 0.045 0.000 1.032 162 F CA -0.406 57.609 58.000 0.024 0.000 1.120 162 F CB 0.482 39.496 39.000 0.024 0.000 1.014 162 F HN 0.290 nan 8.300 nan 0.000 0.546 163 S N 2.675 118.146 115.700 -0.382 0.000 2.701 163 S HA 0.292 4.760 4.470 -0.004 0.000 0.242 163 S C -0.082 174.267 174.600 -0.419 0.000 1.025 163 S CA -0.412 57.597 58.200 -0.318 0.000 1.016 163 S CB -0.061 63.063 63.200 -0.125 0.000 0.977 163 S HN 0.697 nan 8.310 nan 0.000 0.546 164 E N 0.496 120.291 120.200 -0.676 0.000 2.343 164 E HA 0.496 4.843 4.350 -0.004 0.000 0.286 164 E C -1.790 174.562 176.600 -0.413 0.000 0.915 164 E CA -0.533 55.597 56.400 -0.449 0.000 0.784 164 E CB 1.573 31.114 29.700 -0.266 0.000 1.251 164 E HN 0.363 nan 8.360 nan 0.000 0.407 165 I N 3.897 124.338 120.570 -0.215 0.000 2.377 165 I HA 0.512 4.679 4.170 -0.004 0.000 0.293 165 I C 0.134 176.161 176.117 -0.151 0.000 0.987 165 I CA -0.552 60.734 61.300 -0.022 0.000 1.185 165 I CB 1.386 39.548 38.000 0.270 0.000 1.341 165 I HN 0.358 nan 8.210 nan 0.000 0.455 166 R N 4.258 124.673 120.500 -0.142 0.000 2.888 166 R HA 0.515 4.852 4.340 -0.004 0.000 0.266 166 R C 0.544 176.754 176.300 -0.150 0.000 1.020 166 R CA -0.977 55.016 56.100 -0.177 0.000 0.963 166 R CB 1.567 31.778 30.300 -0.148 0.000 1.197 166 R HN 0.479 nan 8.270 nan 0.000 0.481 167 R N 0.717 121.136 120.500 -0.136 0.000 2.200 167 R HA -0.094 4.243 4.340 -0.004 0.000 0.234 167 R C 1.840 178.109 176.300 -0.052 0.000 1.127 167 R CA 1.566 57.619 56.100 -0.078 0.000 0.989 167 R CB -0.345 29.913 30.300 -0.069 0.000 0.869 167 R HN 0.573 nan 8.270 nan 0.000 0.459 168 I N -3.138 117.378 120.570 -0.090 0.000 3.728 168 I HA 0.092 4.259 4.170 -0.004 0.000 0.307 168 I C 0.531 176.559 176.117 -0.148 0.000 1.276 168 I CA 0.453 61.697 61.300 -0.092 0.000 1.285 168 I CB 0.034 37.974 38.000 -0.101 0.000 1.038 168 I HN -0.198 nan 8.210 nan 0.000 0.445 169 D N 2.313 122.565 120.400 -0.246 0.000 2.116 169 D HA -0.172 4.465 4.640 -0.004 0.000 0.193 169 D C 1.033 177.004 176.300 -0.548 0.000 0.998 169 D CA 1.991 55.690 54.000 -0.502 0.000 0.836 169 D CB -0.198 40.141 40.800 -0.769 0.000 0.951 169 D HN 0.497 nan 8.370 nan 0.000 0.449 170 F N 0.087 120.117 119.950 0.134 0.000 2.750 170 F HA 0.467 4.992 4.527 -0.003 0.000 0.297 170 F C 0.559 176.424 175.800 0.108 0.000 1.138 170 F CA -0.790 57.307 58.000 0.163 0.000 1.346 170 F CB -0.343 38.707 39.000 0.084 0.000 0.965 170 F HN -0.195 nan 8.300 nan 0.000 0.514 171 A N 0.378 123.288 122.820 0.150 0.000 2.524 171 A HA 0.454 4.772 4.320 -0.004 0.000 0.250 171 A C 1.476 179.129 177.584 0.115 0.000 1.078 171 A CA 0.821 52.919 52.037 0.101 0.000 0.761 171 A CB -0.562 18.458 19.000 0.034 0.000 1.012 171 A HN 1.049 nan 8.150 nan 0.000 0.500 172 G N 1.239 110.098 108.800 0.099 0.000 2.176 172 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.232 172 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.232 172 G C -0.050 174.905 174.900 0.092 0.000 0.986 172 G CA 0.151 45.303 45.100 0.088 0.000 0.643 172 G HN 0.812 nan 8.290 nan 0.000 0.522 173 L N 1.984 123.272 121.223 0.108 0.000 2.265 173 L HA 0.477 4.814 4.340 -0.004 0.000 0.289 173 L C 1.737 178.626 176.870 0.030 0.000 1.033 173 L CA 0.014 54.892 54.840 0.063 0.000 0.814 173 L CB 1.468 43.573 42.059 0.077 0.000 1.203 173 L HN 0.332 nan 8.230 nan 0.000 0.423 174 T N -2.073 112.485 114.554 0.007 0.000 3.004 174 T HA 0.128 4.475 4.350 -0.004 0.000 0.243 174 T C 0.711 175.401 174.700 -0.016 0.000 1.020 174 T CA -0.046 62.055 62.100 0.002 0.000 1.145 174 T CB 0.358 69.229 68.868 0.006 0.000 0.876 174 T HN 0.379 nan 8.240 nan 0.000 0.449 175 S N 0.772 116.451 115.700 -0.035 0.000 2.619 175 S HA 0.693 5.161 4.470 -0.004 0.000 0.280 175 S C -1.308 173.229 174.600 -0.105 0.000 1.150 175 S CA -0.817 57.351 58.200 -0.053 0.000 0.978 175 S CB 1.519 64.698 63.200 -0.034 0.000 1.041 175 S HN 0.338 nan 8.310 nan 0.000 0.485 176 L N 3.153 124.297 121.223 -0.132 0.000 2.385 176 L HA 0.518 4.855 4.340 -0.004 0.000 0.273 176 L C 0.583 177.317 176.870 -0.226 0.000 0.990 176 L CA -0.883 53.849 54.840 -0.180 0.000 0.821 176 L CB 1.625 43.569 42.059 -0.193 0.000 1.279 176 L HN 0.496 nan 8.230 nan 0.000 0.412 177 N N 1.440 119.972 118.700 -0.281 0.000 2.309 177 N HA -0.086 4.652 4.740 -0.004 0.000 0.182 177 N C 0.091 175.534 175.510 -0.112 0.000 1.018 177 N CA 0.848 53.699 53.050 -0.331 0.000 0.876 177 N CB 0.366 38.700 38.487 -0.256 0.000 0.972 177 N HN 0.655 nan 8.380 nan 0.000 0.434 178 E N -0.340 119.772 120.200 -0.146 0.000 2.347 178 E HA 0.348 4.695 4.350 -0.004 0.000 0.285 178 E C -2.066 174.387 176.600 -0.245 0.000 0.925 178 E CA -0.635 55.660 56.400 -0.176 0.000 0.779 178 E CB 1.170 30.770 29.700 -0.168 0.000 1.233 178 E HN -0.089 nan 8.360 nan 0.000 0.414 179 L N 3.466 124.523 121.223 -0.277 0.000 2.441 179 L HA 0.502 4.840 4.340 -0.004 0.000 0.270 179 L C -1.462 175.244 176.870 -0.273 0.000 0.973 179 L CA -0.180 54.489 54.840 -0.286 0.000 0.842 179 L CB 1.741 43.617 42.059 -0.305 0.000 1.239 179 L HN 0.657 nan 8.230 nan 0.000 0.406 180 E N 5.123 125.181 120.200 -0.236 0.000 2.151 180 E HA 0.562 4.910 4.350 -0.004 0.000 0.275 180 E C -1.319 175.223 176.600 -0.096 0.000 0.936 180 E CA -0.553 55.750 56.400 -0.162 0.000 0.777 180 E CB 1.234 30.851 29.700 -0.137 0.000 1.108 180 E HN 0.687 nan 8.360 nan 0.000 0.401 181 I N 4.738 125.298 120.570 -0.016 0.000 2.410 181 I HA 0.252 4.420 4.170 -0.004 0.000 0.286 181 I C -0.373 175.801 176.117 0.095 0.000 1.009 181 I CA -0.662 60.656 61.300 0.031 0.000 1.111 181 I CB 1.645 39.714 38.000 0.115 0.000 1.262 181 I HN 0.313 nan 8.210 nan 0.000 0.443 182 K N 6.148 126.526 120.400 -0.037 0.000 2.347 182 K HA 0.692 5.009 4.320 -0.004 0.000 0.262 182 K C -0.523 176.147 176.600 0.117 0.000 1.052 182 K CA -0.323 55.929 56.287 -0.058 0.000 0.946 182 K CB 1.110 33.394 32.500 -0.361 0.000 1.220 182 K HN 0.746 nan 8.250 nan 0.000 0.450 183 A N 6.261 129.239 122.820 0.264 0.000 3.297 183 A HA 0.259 4.577 4.320 -0.004 0.000 0.304 183 A C 0.431 178.151 177.584 0.227 0.000 0.963 183 A CA -0.513 51.749 52.037 0.375 0.000 0.935 183 A CB -0.044 19.222 19.000 0.443 0.000 1.093 183 A HN 0.883 nan 8.150 nan 0.000 0.480 184 L N -0.396 120.934 121.223 0.178 0.000 2.465 184 L HA -0.027 4.311 4.340 -0.004 0.000 0.224 184 L C 1.446 178.392 176.870 0.127 0.000 1.145 184 L CA 1.022 55.950 54.840 0.148 0.000 0.834 184 L CB 0.187 42.319 42.059 0.121 0.000 0.944 184 L HN 0.506 nan 8.230 nan 0.000 0.451 185 S N -0.487 115.287 115.700 0.122 0.000 2.650 185 S HA 0.195 4.662 4.470 -0.004 0.000 0.240 185 S C 0.258 174.899 174.600 0.068 0.000 1.007 185 S CA -0.538 57.716 58.200 0.091 0.000 0.984 185 S CB 0.219 63.462 63.200 0.072 0.000 0.910 185 S HN 0.078 nan 8.310 nan 0.000 0.509 186 L N 3.052 124.321 121.223 0.076 0.000 2.640 186 L HA 0.056 4.393 4.340 -0.004 0.000 0.280 186 L C 1.138 178.037 176.870 0.048 0.000 1.229 186 L CA 1.011 55.853 54.840 0.003 0.000 0.919 186 L CB 0.325 42.404 42.059 0.034 0.000 1.168 186 L HN 0.123 nan 8.230 nan 0.000 0.496 187 R N 2.252 122.736 120.500 -0.026 0.000 2.279 187 R HA 0.231 4.569 4.340 -0.004 0.000 0.195 187 R C -0.190 176.137 176.300 0.044 0.000 0.905 187 R CA 0.008 56.152 56.100 0.073 0.000 1.044 187 R CB 0.335 30.655 30.300 0.034 0.000 1.056 187 R HN 0.735 nan 8.270 nan 0.000 0.535 188 N N -0.323 118.203 118.700 -0.289 0.000 2.431 188 N HA 0.067 4.805 4.740 -0.004 0.000 0.275 188 N C -2.171 172.955 175.510 -0.640 0.000 1.091 188 N CA -0.641 52.110 53.050 -0.498 0.000 0.922 188 N CB 1.291 39.704 38.487 -0.123 0.000 1.666 188 N HN -0.034 nan 8.380 nan 0.000 0.484 189 Y N 2.230 121.916 120.300 -1.022 0.000 2.326 189 Y HA 0.429 4.977 4.550 -0.004 0.000 0.329 189 Y C -0.779 175.023 175.900 -0.163 0.000 0.973 189 Y CA -0.554 57.244 58.100 -0.503 0.000 1.162 189 Y CB 1.227 39.399 38.460 -0.480 0.000 1.147 189 Y HN 0.450 nan 8.280 nan 0.000 0.456 190 Q N 4.189 123.644 119.800 -0.574 0.000 2.304 190 Q HA 0.247 4.584 4.340 -0.004 0.000 0.260 190 Q C 0.138 175.791 176.000 -0.577 0.000 0.965 190 Q CA -0.324 55.241 55.803 -0.397 0.000 0.898 190 Q CB 0.866 29.430 28.738 -0.291 0.000 1.196 190 Q HN 0.846 nan 8.270 nan 0.000 0.402 191 S N 2.394 117.997 115.700 -0.161 0.000 2.563 191 S HA -0.055 4.412 4.470 -0.004 0.000 0.284 191 S C 0.362 174.933 174.600 -0.047 0.000 1.331 191 S CA -0.292 57.915 58.200 0.012 0.000 1.047 191 S CB 0.863 64.120 63.200 0.094 0.000 0.859 191 S HN 0.850 nan 8.310 nan 0.000 0.514 192 Q N -0.319 119.522 119.800 0.069 0.000 2.374 192 Q HA -0.209 4.128 4.340 -0.004 0.000 0.218 192 Q C 1.426 177.447 176.000 0.035 0.000 0.691 192 Q CA 0.978 56.816 55.803 0.059 0.000 1.340 192 Q CB -2.302 26.454 28.738 0.030 0.000 1.498 192 Q HN 0.792 nan 8.270 nan 0.000 0.739 193 S N -0.137 115.525 115.700 -0.063 0.000 2.370 193 S HA -0.098 4.370 4.470 -0.004 0.000 0.226 193 S C 1.330 176.070 174.600 0.234 0.000 1.033 193 S CA 1.204 59.406 58.200 0.004 0.000 1.011 193 S CB 0.061 63.134 63.200 -0.212 0.000 0.852 193 S HN 0.291 nan 8.310 nan 0.000 0.457 194 L N 1.172 122.543 121.223 0.245 0.000 2.558 194 L HA 0.238 4.575 4.340 -0.004 0.000 0.225 194 L C 1.959 178.866 176.870 0.061 0.000 1.128 194 L CA 0.886 55.792 54.840 0.111 0.000 0.868 194 L CB -0.959 41.123 42.059 0.039 0.000 1.006 194 L HN 0.268 nan 8.230 nan 0.000 0.454 195 K N 0.362 120.815 120.400 0.088 0.000 2.280 195 K HA -0.146 4.171 4.320 -0.004 0.000 0.202 195 K C 2.151 178.778 176.600 0.045 0.000 1.047 195 K CA 1.362 57.683 56.287 0.056 0.000 0.942 195 K CB 0.328 32.864 32.500 0.060 0.000 0.739 195 K HN 0.376 nan 8.250 nan 0.000 0.457 196 S N 0.458 116.196 115.700 0.063 0.000 2.406 196 S HA -0.044 4.424 4.470 -0.004 0.000 0.228 196 S C 0.982 175.607 174.600 0.042 0.000 1.020 196 S CA 0.199 58.434 58.200 0.059 0.000 0.965 196 S CB -0.485 62.766 63.200 0.086 0.000 0.798 196 S HN 0.200 nan 8.310 nan 0.000 0.488 197 I N 2.563 123.148 120.570 0.025 0.000 2.683 197 I HA 0.162 4.329 4.170 -0.004 0.000 0.286 197 I C 1.689 177.798 176.117 -0.012 0.000 1.175 197 I CA -0.302 60.992 61.300 -0.011 0.000 1.429 197 I CB 0.664 38.615 38.000 -0.081 0.000 1.371 197 I HN 0.163 nan 8.210 nan 0.000 0.569 198 R N 4.062 124.560 120.500 -0.004 0.000 2.080 198 R HA 0.041 4.379 4.340 -0.004 0.000 0.222 198 R C -0.228 176.075 176.300 0.005 0.000 1.107 198 R CA 1.284 57.386 56.100 0.003 0.000 0.980 198 R CB 0.123 30.429 30.300 0.011 0.000 0.879 198 R HN 0.696 nan 8.270 nan 0.000 0.439 199 D N -0.524 119.881 120.400 0.009 0.000 2.479 199 D HA 0.320 4.957 4.640 -0.004 0.000 0.246 199 D C -1.463 174.875 176.300 0.062 0.000 1.336 199 D CA -0.251 53.778 54.000 0.047 0.000 0.967 199 D CB 0.925 41.779 40.800 0.090 0.000 1.275 199 D HN 0.133 nan 8.370 nan 0.000 0.577 200 I N 3.842 124.440 120.570 0.048 0.000 2.354 200 I HA 0.230 4.398 4.170 -0.004 0.000 0.286 200 I C 1.360 177.560 176.117 0.138 0.000 1.007 200 I CA -0.585 60.733 61.300 0.030 0.000 1.167 200 I CB 1.390 39.345 38.000 -0.075 0.000 1.320 200 I HN 0.530 nan 8.210 nan 0.000 0.458 201 H N 3.998 123.054 119.070 -0.024 0.000 2.357 201 H HA -0.049 4.503 4.556 -0.006 0.000 0.301 201 H C 0.372 175.751 175.328 0.086 0.000 1.082 201 H CA 1.011 57.074 56.048 0.025 0.000 1.342 201 H CB 0.393 30.175 29.762 0.034 0.000 1.389 201 H HN 0.549 nan 8.280 nan 0.000 0.511 202 H N -0.106 118.984 119.070 0.034 0.000 3.013 202 H HA 0.251 4.805 4.556 -0.004 0.000 0.326 202 H C -1.612 173.576 175.328 -0.234 0.000 0.973 202 H CA -0.939 55.022 56.048 -0.145 0.000 1.369 202 H CB 1.086 30.762 29.762 -0.144 0.000 1.598 202 H HN 0.020 nan 8.280 nan 0.000 0.518 203 L N 5.590 126.771 121.223 -0.070 0.000 2.276 203 L HA 0.365 4.702 4.340 -0.004 0.000 0.286 203 L C -0.812 175.907 176.870 -0.251 0.000 1.024 203 L CA -0.038 54.680 54.840 -0.205 0.000 0.826 203 L CB 1.355 43.307 42.059 -0.179 0.000 1.211 203 L HN 0.562 nan 8.230 nan 0.000 0.422 204 T N 6.830 121.185 114.554 -0.330 0.000 2.756 204 T HA 0.556 4.904 4.350 -0.004 0.000 0.290 204 T C -0.240 174.369 174.700 -0.153 0.000 0.985 204 T CA -0.230 61.701 62.100 -0.280 0.000 0.955 204 T CB 0.434 69.105 68.868 -0.328 0.000 0.930 204 T HN 0.418 nan 8.240 nan 0.000 0.451 205 L N 4.190 125.321 121.223 -0.153 0.000 2.341 205 L HA 0.469 4.806 4.340 -0.004 0.000 0.278 205 L C 0.098 176.932 176.870 -0.060 0.000 1.005 205 L CA -0.952 53.868 54.840 -0.034 0.000 0.818 205 L CB 1.402 43.440 42.059 -0.034 0.000 1.259 205 L HN 0.608 nan 8.230 nan 0.000 0.418 206 H N 5.365 124.445 119.070 0.016 0.000 2.623 206 H HA 0.489 5.043 4.556 -0.004 0.000 0.299 206 H C -0.805 174.570 175.328 0.077 0.000 1.052 206 H CA -0.481 55.593 56.048 0.042 0.000 1.231 206 H CB 1.629 31.413 29.762 0.037 0.000 1.389 206 H HN 0.354 nan 8.280 nan 0.000 0.469 207 L N 1.735 123.057 121.223 0.165 0.000 2.381 207 L HA 0.155 4.492 4.340 -0.004 0.000 0.268 207 L C 1.295 178.256 176.870 0.151 0.000 0.997 207 L CA -0.533 54.404 54.840 0.162 0.000 0.818 207 L CB 2.241 44.388 42.059 0.147 0.000 1.310 207 L HN 0.549 nan 8.230 nan 0.000 0.416 208 S N 0.064 115.854 115.700 0.149 0.000 2.458 208 S HA 0.067 4.534 4.470 -0.004 0.000 0.223 208 S C 0.371 175.046 174.600 0.126 0.000 1.019 208 S CA 0.028 58.306 58.200 0.130 0.000 0.937 208 S CB -0.026 63.245 63.200 0.118 0.000 0.788 208 S HN 0.758 nan 8.310 nan 0.000 0.511 209 E N 0.754 121.038 120.200 0.141 0.000 2.446 209 E HA 0.478 4.826 4.350 -0.004 0.000 0.267 209 E C -0.451 176.244 176.600 0.157 0.000 0.955 209 E CA -0.355 56.126 56.400 0.134 0.000 0.842 209 E CB 0.885 30.655 29.700 0.117 0.000 1.504 209 E HN 0.158 nan 8.360 nan 0.000 0.438 210 S N -0.997 114.796 115.700 0.156 0.000 2.539 210 S HA 0.287 4.754 4.470 -0.004 0.000 0.221 210 S C 1.672 176.364 174.600 0.154 0.000 0.987 210 S CA 0.207 58.528 58.200 0.202 0.000 0.929 210 S CB 0.359 63.735 63.200 0.293 0.000 0.832 210 S HN 0.634 nan 8.310 nan 0.000 0.492 211 A N 1.538 124.382 122.820 0.040 0.000 1.958 211 A HA -0.019 4.298 4.320 -0.004 0.000 0.221 211 A C 1.277 178.627 177.584 -0.391 0.000 1.178 211 A CA 1.482 53.391 52.037 -0.214 0.000 0.642 211 A CB -0.828 17.964 19.000 -0.347 0.000 0.816 211 A HN 0.649 nan 8.150 nan 0.000 0.453 212 F N -2.110 117.896 119.950 0.094 0.000 2.683 212 F HA 0.282 4.806 4.527 -0.005 0.000 0.306 212 F C 1.313 177.128 175.800 0.026 0.000 1.102 212 F CA -0.382 57.654 58.000 0.060 0.000 1.244 212 F CB 0.299 39.322 39.000 0.038 0.000 1.029 212 F HN 0.154 nan 8.300 nan 0.000 0.545 213 L N 0.370 121.734 121.223 0.236 0.000 2.046 213 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 213 L C 2.109 179.157 176.870 0.296 0.000 1.077 213 L CA 1.792 56.775 54.840 0.239 0.000 0.747 213 L CB -0.581 41.629 42.059 0.251 0.000 0.896 213 L HN 0.274 nan 8.230 nan 0.000 0.432 214 L N -0.734 120.686 121.223 0.328 0.000 1.970 214 L HA -0.285 4.053 4.340 -0.004 0.000 0.212 214 L C 2.561 179.556 176.870 0.208 0.000 1.071 214 L CA 1.961 56.963 54.840 0.270 0.000 0.751 214 L CB -0.271 41.859 42.059 0.120 0.000 0.889 214 L HN 0.377 nan 8.230 nan 0.000 0.432 215 E N -0.211 120.094 120.200 0.174 0.000 2.110 215 E HA -0.241 4.106 4.350 -0.004 0.000 0.193 215 E C 2.189 178.891 176.600 0.171 0.000 0.988 215 E CA 1.261 57.778 56.400 0.195 0.000 0.804 215 E CB -0.064 29.810 29.700 0.290 0.000 0.745 215 E HN 0.496 nan 8.360 nan 0.000 0.458 216 I N 0.264 120.833 120.570 -0.001 0.000 2.163 216 I HA -0.293 3.875 4.170 -0.004 0.000 0.243 216 I C 2.136 178.266 176.117 0.023 0.000 1.085 216 I CA 1.132 62.320 61.300 -0.187 0.000 1.347 216 I CB -0.207 37.608 38.000 -0.308 0.000 1.044 216 I HN 0.112 nan 8.210 nan 0.000 0.408 217 F N 1.060 121.004 119.950 -0.010 0.000 2.216 217 F HA -0.223 4.301 4.527 -0.005 0.000 0.300 217 F C 2.425 178.231 175.800 0.010 0.000 1.085 217 F CA 1.334 59.344 58.000 0.016 0.000 1.326 217 F CB -0.096 38.945 39.000 0.069 0.000 1.027 217 F HN 0.012 nan 8.300 nan 0.000 0.497 218 A N -0.913 122.036 122.820 0.215 0.000 2.066 218 A HA -0.112 4.206 4.320 -0.004 0.000 0.218 218 A C 1.632 179.260 177.584 0.074 0.000 1.157 218 A CA 1.602 53.706 52.037 0.111 0.000 0.670 218 A CB -0.463 18.583 19.000 0.077 0.000 0.804 218 A HN 0.314 nan 8.150 nan 0.000 0.453 219 D N -0.492 119.960 120.400 0.086 0.000 2.339 219 D HA 0.073 4.711 4.640 -0.004 0.000 0.217 219 D C 1.081 177.384 176.300 0.006 0.000 1.050 219 D CA 0.688 54.734 54.000 0.078 0.000 0.856 219 D CB 0.285 41.190 40.800 0.176 0.000 0.922 219 D HN 0.668 nan 8.370 nan 0.000 0.518 220 I N -3.150 117.380 120.570 -0.067 0.000 4.154 220 I HA 0.142 4.310 4.170 -0.004 0.000 0.334 220 I C 1.489 177.521 176.117 -0.141 0.000 1.371 220 I CA -0.027 61.194 61.300 -0.131 0.000 1.110 220 I CB -0.328 37.543 38.000 -0.215 0.000 1.085 220 I HN -0.237 nan 8.210 nan 0.000 0.398 221 L N 0.301 121.467 121.223 -0.096 0.000 2.349 221 L HA -0.083 4.254 4.340 -0.004 0.000 0.220 221 L C 1.880 178.746 176.870 -0.007 0.000 1.130 221 L CA 1.134 55.953 54.840 -0.036 0.000 0.791 221 L CB -0.460 41.630 42.059 0.052 0.000 0.918 221 L HN 0.343 nan 8.230 nan 0.000 0.444 222 S N -1.639 114.053 115.700 -0.014 0.000 2.497 222 S HA 0.003 4.471 4.470 -0.004 0.000 0.218 222 S C 1.919 176.511 174.600 -0.014 0.000 1.023 222 S CA 0.661 58.861 58.200 -0.001 0.000 0.913 222 S CB 0.466 63.671 63.200 0.008 0.000 0.800 222 S HN 0.532 nan 8.310 nan 0.000 0.505 223 S N 0.515 116.194 115.700 -0.034 0.000 2.591 223 S HA 0.214 4.682 4.470 -0.004 0.000 0.235 223 S C 0.619 175.195 174.600 -0.040 0.000 1.074 223 S CA -0.219 57.961 58.200 -0.032 0.000 0.925 223 S CB -0.529 62.648 63.200 -0.038 0.000 0.818 223 S HN 0.131 nan 8.310 nan 0.000 0.535 224 V N 3.712 123.582 119.914 -0.075 0.000 2.493 224 V HA 0.150 4.267 4.120 -0.004 0.000 0.292 224 V C 1.289 177.350 176.094 -0.055 0.000 1.016 224 V CA 0.352 62.606 62.300 -0.077 0.000 1.097 224 V CB 0.301 32.037 31.823 -0.144 0.000 0.947 224 V HN 0.390 nan 8.190 nan 0.000 0.479 225 R N 3.239 123.725 120.500 -0.022 0.000 2.105 225 R HA 0.187 4.524 4.340 -0.004 0.000 0.214 225 R C 0.347 176.668 176.300 0.035 0.000 1.091 225 R CA 0.444 56.526 56.100 -0.029 0.000 1.007 225 R CB 0.358 30.607 30.300 -0.085 0.000 0.912 225 R HN 0.773 nan 8.270 nan 0.000 0.450 226 Y N 1.195 121.431 120.300 -0.107 0.000 2.332 226 Y HA 0.382 4.930 4.550 -0.004 0.000 0.326 226 Y C -1.625 174.214 175.900 -0.101 0.000 0.978 226 Y CA -1.710 56.303 58.100 -0.146 0.000 1.205 226 Y CB 1.263 39.581 38.460 -0.237 0.000 1.131 226 Y HN -0.118 nan 8.280 nan 0.000 0.462 227 L N 6.756 128.058 121.223 0.133 0.000 2.287 227 L HA 0.460 4.797 4.340 -0.004 0.000 0.287 227 L C -1.052 175.734 176.870 -0.140 0.000 1.022 227 L CA -0.185 54.591 54.840 -0.106 0.000 0.814 227 L CB 1.614 43.564 42.059 -0.181 0.000 1.217 227 L HN 0.752 nan 8.230 nan 0.000 0.420 228 E N 5.319 125.366 120.200 -0.256 0.000 2.145 228 E HA 0.391 4.739 4.350 -0.004 0.000 0.262 228 E C -1.553 174.903 176.600 -0.239 0.000 0.883 228 E CA -0.552 55.714 56.400 -0.224 0.000 0.748 228 E CB 1.038 30.604 29.700 -0.223 0.000 1.140 228 E HN 0.734 nan 8.360 nan 0.000 0.417 229 L N 4.900 125.953 121.223 -0.283 0.000 2.275 229 L HA 0.500 4.838 4.340 -0.004 0.000 0.288 229 L C 0.142 176.947 176.870 -0.109 0.000 1.046 229 L CA -0.444 54.276 54.840 -0.201 0.000 0.805 229 L CB 1.090 43.020 42.059 -0.215 0.000 1.193 229 L HN 0.434 nan 8.230 nan 0.000 0.426 230 R N 2.937 123.357 120.500 -0.135 0.000 2.599 230 R HA 0.272 4.609 4.340 -0.004 0.000 0.295 230 R C -0.638 175.672 176.300 0.017 0.000 0.963 230 R CA -0.790 55.247 56.100 -0.105 0.000 0.883 230 R CB 1.535 31.624 30.300 -0.353 0.000 1.171 230 R HN 0.617 nan 8.270 nan 0.000 0.450 231 D N 0.458 120.905 120.400 0.078 0.000 2.983 231 D HA -0.135 4.503 4.640 -0.004 0.000 0.225 231 D C -0.704 175.668 176.300 0.121 0.000 1.174 231 D CA 1.451 55.517 54.000 0.110 0.000 0.831 231 D CB -0.990 39.883 40.800 0.123 0.000 1.104 231 D HN 0.530 nan 8.370 nan 0.000 0.421 232 T N 1.138 115.775 114.554 0.137 0.000 2.817 232 T HA 0.166 4.514 4.350 -0.004 0.000 0.293 232 T C 0.594 175.376 174.700 0.137 0.000 0.964 232 T CA -0.662 61.525 62.100 0.145 0.000 1.085 232 T CB 1.584 70.552 68.868 0.166 0.000 0.921 232 T HN 0.081 nan 8.240 nan 0.000 0.502 233 N N 3.661 122.432 118.700 0.119 0.000 2.415 233 N HA 0.118 4.856 4.740 -0.004 0.000 0.246 233 N C 0.211 175.788 175.510 0.112 0.000 1.078 233 N CA -0.280 52.830 53.050 0.099 0.000 0.942 233 N CB 0.439 38.977 38.487 0.085 0.000 1.140 233 N HN 0.578 nan 8.380 nan 0.000 0.501 234 L N 3.058 124.345 121.223 0.108 0.000 2.628 234 L HA 0.184 4.521 4.340 -0.004 0.000 0.229 234 L C 2.215 179.167 176.870 0.137 0.000 1.137 234 L CA -0.117 54.804 54.840 0.135 0.000 0.909 234 L CB -0.118 41.999 42.059 0.097 0.000 1.137 234 L HN 0.534 nan 8.230 nan 0.000 0.470 235 A N 0.825 123.696 122.820 0.085 0.000 1.940 235 A HA -0.236 4.081 4.320 -0.004 0.000 0.221 235 A C 2.091 179.717 177.584 0.071 0.000 1.190 235 A CA 1.696 53.766 52.037 0.055 0.000 0.647 235 A CB -0.366 18.652 19.000 0.030 0.000 0.821 235 A HN 0.411 nan 8.150 nan 0.000 0.457 236 R N -1.730 118.824 120.500 0.089 0.000 2.721 236 R HA 0.280 4.618 4.340 -0.004 0.000 0.296 236 R C -0.547 175.817 176.300 0.106 0.000 1.174 236 R CA -0.507 55.634 56.100 0.069 0.000 1.129 236 R CB -0.248 30.076 30.300 0.040 0.000 1.316 236 R HN 0.460 nan 8.270 nan 0.000 0.571 237 F N 0.930 120.894 119.950 0.023 0.000 2.389 237 F HA 0.270 4.796 4.527 -0.002 0.000 0.337 237 F C -0.189 175.634 175.800 0.038 0.000 1.112 237 F CA -0.206 57.815 58.000 0.036 0.000 1.192 237 F CB 0.960 39.996 39.000 0.060 0.000 1.185 237 F HN -0.036 nan 8.300 nan 0.000 0.552 238 Q N 5.931 125.083 119.800 -1.080 0.000 2.268 238 Q HA 0.268 4.606 4.340 -0.004 0.000 0.266 238 Q C -1.760 173.732 176.000 -0.846 0.000 1.006 238 Q CA -0.795 54.604 55.803 -0.672 0.000 0.824 238 Q CB 1.544 30.090 28.738 -0.321 0.000 1.306 238 Q HN 0.704 nan 8.270 nan 0.000 0.424 239 F N 2.765 122.376 119.950 -0.565 0.000 2.410 239 F HA 0.591 5.115 4.527 -0.004 0.000 0.334 239 F C -0.354 175.349 175.800 -0.162 0.000 1.134 239 F CA 0.475 58.298 58.000 -0.296 0.000 1.227 239 F CB 1.081 40.049 39.000 -0.053 0.000 1.194 239 F HN 0.531 nan 8.300 nan 0.000 0.571 240 S N 3.971 118.883 115.700 -1.312 0.000 2.537 240 S HA 0.552 5.020 4.470 -0.004 0.000 0.270 240 S C -3.222 170.671 174.600 -1.178 0.000 1.142 240 S CA -1.580 56.099 58.200 -0.869 0.000 0.870 240 S CB 1.677 64.617 63.200 -0.433 0.000 1.112 240 S HN 0.360 nan 8.310 nan 0.000 0.466 241 P HA 0.188 nan 4.420 nan 0.000 0.264 241 P C -0.649 176.560 177.300 -0.152 0.000 1.236 241 P CA -0.037 62.972 63.100 -0.151 0.000 0.811 241 P CB -0.008 31.722 31.700 0.051 0.000 0.840 242 L N 7.075 128.170 121.223 -0.212 0.000 2.597 242 L HA 0.065 4.402 4.340 -0.004 0.000 0.271 242 L C -1.049 175.734 176.870 -0.146 0.000 1.157 242 L CA -0.929 53.731 54.840 -0.300 0.000 0.928 242 L CB 0.135 41.796 42.059 -0.663 0.000 1.216 242 L HN 0.300 nan 8.230 nan 0.000 0.481 243 P HA 0.073 nan 4.420 nan 0.000 0.227 243 P C -0.369 176.929 177.300 -0.003 0.000 1.801 243 P CA -0.031 63.062 63.100 -0.012 0.000 0.971 243 P CB 0.040 31.735 31.700 -0.008 0.000 1.653 244 V N -2.929 116.973 119.914 -0.020 0.000 2.539 244 V HA 0.431 4.549 4.120 -0.004 0.000 0.292 244 V C 0.178 176.293 176.094 0.035 0.000 1.045 244 V CA -0.919 61.384 62.300 0.005 0.000 0.945 244 V CB 1.194 33.015 31.823 -0.004 0.000 0.993 244 V HN -0.082 nan 8.190 nan 0.000 0.464 245 D N 2.078 122.502 120.400 0.040 0.000 2.474 245 D HA -0.034 4.604 4.640 -0.004 0.000 0.232 245 D C 0.354 176.694 176.300 0.068 0.000 1.177 245 D CA 0.555 54.586 54.000 0.051 0.000 0.876 245 D CB 0.584 41.408 40.800 0.042 0.000 1.208 245 D HN 0.883 nan 8.370 nan 0.000 0.464 246 E N 0.548 120.793 120.200 0.075 0.000 2.918 246 E HA 0.003 4.350 4.350 -0.004 0.000 0.232 246 E C -0.966 175.681 176.600 0.079 0.000 1.073 246 E CA 0.329 56.782 56.400 0.087 0.000 0.949 246 E CB -0.008 29.734 29.700 0.071 0.000 0.937 246 E HN 0.129 nan 8.360 nan 0.000 0.536 247 V N 4.072 124.045 119.914 0.098 0.000 2.378 247 V HA 0.287 4.404 4.120 -0.004 0.000 0.288 247 V C -0.445 175.705 176.094 0.092 0.000 1.016 247 V CA -0.553 61.797 62.300 0.082 0.000 0.840 247 V CB 1.891 33.759 31.823 0.075 0.000 0.994 247 V HN 0.575 nan 8.190 nan 0.000 0.431 248 S N 5.246 120.985 115.700 0.065 0.000 3.530 248 S HA 0.114 4.581 4.470 -0.004 0.000 0.279 248 S C 0.467 175.098 174.600 0.051 0.000 1.280 248 S CA 0.219 58.454 58.200 0.058 0.000 0.946 248 S CB 0.097 63.320 63.200 0.039 0.000 1.501 248 S HN 0.981 nan 8.310 nan 0.000 0.498 249 S N 4.289 120.033 115.700 0.073 0.000 2.673 249 S HA 0.043 4.511 4.470 -0.004 0.000 0.308 249 S C -1.168 173.448 174.600 0.027 0.000 1.246 249 S CA -0.900 57.334 58.200 0.057 0.000 1.077 249 S CB 0.404 63.663 63.200 0.098 0.000 0.814 249 S HN 0.449 nan 8.310 nan 0.000 0.503 250 P HA 0.072 nan 4.420 nan 0.000 0.257 250 P C 0.212 177.493 177.300 -0.032 0.000 1.325 250 P CA -0.030 63.057 63.100 -0.021 0.000 0.850 250 P CB -0.030 31.649 31.700 -0.035 0.000 1.324 251 M N 1.083 120.673 119.600 -0.017 0.000 2.364 251 M HA 0.036 4.513 4.480 -0.004 0.000 0.342 251 M C 0.927 177.214 176.300 -0.022 0.000 1.601 251 M CA 0.262 55.550 55.300 -0.021 0.000 1.156 251 M CB 0.582 33.174 32.600 -0.013 0.000 1.912 251 M HN -0.257 nan 8.290 nan 0.000 0.460 252 K N 3.468 123.839 120.400 -0.049 0.000 2.276 252 K HA 0.149 4.466 4.320 -0.004 0.000 0.198 252 K C 0.196 176.734 176.600 -0.105 0.000 1.052 252 K CA 0.728 56.971 56.287 -0.072 0.000 0.984 252 K CB 0.361 32.803 32.500 -0.097 0.000 0.836 252 K HN 0.543 nan 8.250 nan 0.000 0.490 253 K N 0.819 121.140 120.400 -0.131 0.000 2.427 253 K HA 0.343 4.661 4.320 -0.004 0.000 0.252 253 K C -1.746 174.796 176.600 -0.096 0.000 0.931 253 K CA -0.706 55.449 56.287 -0.220 0.000 0.793 253 K CB 1.383 33.551 32.500 -0.554 0.000 1.211 253 K HN -0.129 nan 8.250 nan 0.000 0.426 254 L N 2.993 124.149 121.223 -0.111 0.000 2.409 254 L HA 0.769 5.106 4.340 -0.004 0.000 0.272 254 L C -1.773 174.983 176.870 -0.189 0.000 0.980 254 L CA -0.141 54.638 54.840 -0.103 0.000 0.826 254 L CB 1.877 43.898 42.059 -0.063 0.000 1.268 254 L HN 0.750 nan 8.230 nan 0.000 0.407 255 A N 4.186 126.873 122.820 -0.223 0.000 2.422 255 A HA 0.833 5.150 4.320 -0.004 0.000 0.302 255 A C -1.683 175.673 177.584 -0.382 0.000 1.041 255 A CA -0.338 51.576 52.037 -0.206 0.000 0.708 255 A CB 0.846 19.866 19.000 0.034 0.000 1.257 255 A HN 0.510 nan 8.150 nan 0.000 0.414 256 F N 1.923 121.805 119.950 -0.113 0.000 2.495 256 F HA 0.723 5.247 4.527 -0.005 0.000 0.327 256 F C 0.595 176.428 175.800 0.056 0.000 1.103 256 F CA -0.460 57.545 58.000 0.007 0.000 0.949 256 F CB 2.053 41.125 39.000 0.120 0.000 1.142 256 F HN 0.427 nan 8.300 nan 0.000 0.457 257 R N 1.245 121.876 120.500 0.219 0.000 2.574 257 R HA 0.480 4.817 4.340 -0.004 0.000 0.288 257 R C 0.126 176.515 176.300 0.148 0.000 1.004 257 R CA -0.898 55.295 56.100 0.154 0.000 0.895 257 R CB 1.384 31.729 30.300 0.075 0.000 1.191 257 R HN 0.850 nan 8.270 nan 0.000 0.444 258 G N 1.865 110.749 108.800 0.141 0.000 2.366 258 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.299 258 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.299 258 G C -0.428 174.551 174.900 0.132 0.000 1.020 258 G CA 0.627 45.799 45.100 0.120 0.000 1.026 258 G HN 0.485 nan 8.290 nan 0.000 0.512 259 S N -1.536 114.260 115.700 0.159 0.000 2.565 259 S HA 0.681 5.149 4.470 -0.004 0.000 0.290 259 S C 0.295 174.948 174.600 0.089 0.000 1.150 259 S CA -0.739 57.553 58.200 0.153 0.000 1.058 259 S CB 2.551 65.889 63.200 0.231 0.000 1.032 259 S HN 0.531 nan 8.310 nan 0.000 0.510 260 V N 3.795 123.752 119.914 0.072 0.000 2.394 260 V HA 0.479 4.597 4.120 -0.004 0.000 0.282 260 V C -0.475 175.627 176.094 0.013 0.000 1.031 260 V CA -0.526 61.793 62.300 0.032 0.000 0.881 260 V CB 1.206 33.052 31.823 0.039 0.000 0.982 260 V HN 0.614 nan 8.190 nan 0.000 0.451 261 L N 4.133 125.335 121.223 -0.035 0.000 2.283 261 L HA 0.850 5.188 4.340 -0.004 0.000 0.259 261 L C 0.141 176.975 176.870 -0.061 0.000 1.027 261 L CA -0.164 54.646 54.840 -0.049 0.000 0.828 261 L CB 2.663 44.645 42.059 -0.128 0.000 1.380 261 L HN 0.878 nan 8.230 nan 0.000 0.425 262 T N -3.358 111.162 114.554 -0.056 0.000 2.883 262 T HA 0.347 4.694 4.350 -0.004 0.000 0.296 262 T C 0.349 174.956 174.700 -0.154 0.000 1.117 262 T CA -0.434 61.597 62.100 -0.115 0.000 1.006 262 T CB 1.571 70.361 68.868 -0.129 0.000 1.191 262 T HN 0.534 nan 8.240 nan 0.000 0.508 263 D N 0.232 120.453 120.400 -0.298 0.000 2.182 263 D HA -0.172 4.466 4.640 -0.004 0.000 0.201 263 D C 1.474 177.403 176.300 -0.619 0.000 0.986 263 D CA 1.390 55.174 54.000 -0.359 0.000 0.847 263 D CB -0.163 40.310 40.800 -0.544 0.000 0.942 263 D HN 0.809 nan 8.370 nan 0.000 0.467 264 E N 0.619 120.316 120.200 -0.838 0.000 2.016 264 E HA -0.191 4.156 4.350 -0.004 0.000 0.190 264 E C 1.976 178.456 176.600 -0.200 0.000 0.985 264 E CA 1.564 57.487 56.400 -0.795 0.000 0.802 264 E CB -0.055 29.363 29.700 -0.470 0.000 0.762 264 E HN 0.317 nan 8.360 nan 0.000 0.448 265 S N 0.028 115.687 115.700 -0.067 0.000 2.419 265 S HA -0.190 4.278 4.470 -0.004 0.000 0.235 265 S C 1.909 176.601 174.600 0.153 0.000 1.019 265 S CA 0.936 59.200 58.200 0.107 0.000 0.982 265 S CB -0.611 62.670 63.200 0.134 0.000 0.789 265 S HN 0.422 nan 8.310 nan 0.000 0.490 266 F N 3.373 123.279 119.950 -0.073 0.000 2.113 266 F HA 0.001 4.525 4.527 -0.005 0.000 0.297 266 F C 2.188 177.989 175.800 0.002 0.000 1.103 266 F CA 1.516 59.473 58.000 -0.072 0.000 1.248 266 F CB -0.969 37.959 39.000 -0.120 0.000 0.999 266 F HN 0.358 nan 8.300 nan 0.000 0.475 267 N N -0.322 118.345 118.700 -0.054 0.000 2.166 267 N HA -0.195 4.542 4.740 -0.004 0.000 0.186 267 N C 1.662 177.138 175.510 -0.058 0.000 1.019 267 N CA 1.072 54.076 53.050 -0.076 0.000 0.856 267 N CB -0.030 38.555 38.487 0.162 0.000 0.993 267 N HN 0.239 nan 8.380 nan 0.000 0.426 268 E N 1.203 121.438 120.200 0.058 0.000 2.051 268 E HA -0.160 4.187 4.350 -0.004 0.000 0.192 268 E C 2.198 178.933 176.600 0.226 0.000 0.991 268 E CA 0.586 57.091 56.400 0.174 0.000 0.799 268 E CB -0.467 29.404 29.700 0.285 0.000 0.748 268 E HN 0.475 nan 8.360 nan 0.000 0.449 269 L N 0.450 121.765 121.223 0.153 0.000 2.012 269 L HA -0.194 4.143 4.340 -0.004 0.000 0.210 269 L C 2.627 179.439 176.870 -0.097 0.000 1.073 269 L CA 0.873 55.725 54.840 0.020 0.000 0.748 269 L CB -0.494 41.508 42.059 -0.094 0.000 0.891 269 L HN 0.139 nan 8.230 nan 0.000 0.431 270 L N -0.221 120.850 121.223 -0.253 0.000 2.089 270 L HA -0.306 4.031 4.340 -0.004 0.000 0.213 270 L C 2.561 179.302 176.870 -0.215 0.000 1.079 270 L CA 1.570 56.261 54.840 -0.248 0.000 0.758 270 L CB -0.577 41.288 42.059 -0.323 0.000 0.891 270 L HN 0.298 nan 8.230 nan 0.000 0.433 271 K N -0.061 120.159 120.400 -0.300 0.000 2.209 271 K HA -0.151 4.166 4.320 -0.004 0.000 0.204 271 K C 2.016 178.297 176.600 -0.531 0.000 1.048 271 K CA 0.927 56.887 56.287 -0.546 0.000 0.940 271 K CB -0.181 31.724 32.500 -0.990 0.000 0.729 271 K HN 0.279 nan 8.250 nan 0.000 0.451 272 L N 0.952 122.031 121.223 -0.241 0.000 2.191 272 L HA -0.169 4.168 4.340 -0.004 0.000 0.212 272 L C 1.998 178.913 176.870 0.075 0.000 1.103 272 L CA 0.813 55.678 54.840 0.041 0.000 0.769 272 L CB -0.313 41.701 42.059 -0.074 0.000 0.908 272 L HN 0.198 nan 8.230 nan 0.000 0.438 273 L N -0.177 121.031 121.223 -0.025 0.000 2.127 273 L HA -0.236 4.102 4.340 -0.004 0.000 0.211 273 L C 2.753 179.597 176.870 -0.044 0.000 1.089 273 L CA 1.249 56.095 54.840 0.010 0.000 0.757 273 L CB -0.741 41.309 42.059 -0.016 0.000 0.899 273 L HN 0.416 nan 8.230 nan 0.000 0.434 274 R N -0.187 120.187 120.500 -0.209 0.000 2.211 274 R HA -0.218 4.119 4.340 -0.004 0.000 0.240 274 R C 1.555 177.670 176.300 -0.309 0.000 1.144 274 R CA 1.845 57.752 56.100 -0.322 0.000 0.992 274 R CB -0.729 29.261 30.300 -0.516 0.000 0.869 274 R HN 0.385 nan 8.270 nan 0.000 0.462 275 Y N 1.381 121.751 120.300 0.116 0.000 2.497 275 Y HA 0.261 4.808 4.550 -0.005 0.000 0.265 275 Y C 1.492 177.478 175.900 0.143 0.000 1.111 275 Y CA -0.374 57.816 58.100 0.149 0.000 1.288 275 Y CB 0.462 39.054 38.460 0.220 0.000 1.082 275 Y HN 0.065 nan 8.280 nan 0.000 0.536 276 I N -2.113 118.606 120.570 0.248 0.000 3.207 276 I HA 0.213 4.380 4.170 -0.004 0.000 0.343 276 I C 0.330 176.506 176.117 0.098 0.000 1.378 276 I CA -0.172 61.238 61.300 0.182 0.000 1.004 276 I CB -0.283 37.849 38.000 0.220 0.000 1.836 276 I HN 0.085 nan 8.210 nan 0.000 0.513 277 L N 0.465 121.731 121.223 0.073 0.000 2.283 277 L HA -0.166 4.172 4.340 -0.004 0.000 0.217 277 L C 2.011 178.898 176.870 0.028 0.000 1.104 277 L CA 1.349 56.211 54.840 0.036 0.000 0.772 277 L CB -0.462 41.615 42.059 0.030 0.000 0.899 277 L HN 0.515 nan 8.230 nan 0.000 0.439 278 E N -0.180 120.039 120.200 0.032 0.000 2.479 278 E HA 0.120 4.467 4.350 -0.004 0.000 0.193 278 E C 0.757 177.361 176.600 0.005 0.000 1.049 278 E CA -0.146 56.262 56.400 0.013 0.000 0.870 278 E CB 0.258 29.962 29.700 0.005 0.000 0.944 278 E HN 0.377 nan 8.360 nan 0.000 0.492 279 L N 2.454 123.689 121.223 0.021 0.000 2.628 279 L HA -0.082 4.255 4.340 -0.004 0.000 0.274 279 L C 0.944 177.812 176.870 -0.004 0.000 1.209 279 L CA 0.597 55.445 54.840 0.013 0.000 0.930 279 L CB 0.383 42.469 42.059 0.046 0.000 1.183 279 L HN 0.050 nan 8.230 nan 0.000 0.492 280 S N 2.064 117.745 115.700 -0.031 0.000 2.554 280 S HA 0.146 4.614 4.470 -0.004 0.000 0.227 280 S C 0.249 174.817 174.600 -0.054 0.000 1.050 280 S CA -0.462 57.715 58.200 -0.040 0.000 0.927 280 S CB 0.587 63.755 63.200 -0.054 0.000 0.859 280 S HN 0.711 nan 8.310 nan 0.000 0.494 281 E N 0.671 120.824 120.200 -0.078 0.000 2.275 281 E HA 0.615 4.963 4.350 -0.004 0.000 0.270 281 E C -1.925 174.612 176.600 -0.105 0.000 0.882 281 E CA -0.675 55.664 56.400 -0.101 0.000 0.758 281 E CB 2.241 31.843 29.700 -0.165 0.000 1.195 281 E HN 0.084 nan 8.360 nan 0.000 0.419 282 V N 4.046 123.915 119.914 -0.075 0.000 2.588 282 V HA 0.442 4.560 4.120 -0.004 0.000 0.304 282 V C -0.655 175.353 176.094 -0.144 0.000 1.042 282 V CA -0.705 61.531 62.300 -0.106 0.000 0.877 282 V CB 1.875 33.682 31.823 -0.025 0.000 0.996 282 V HN 0.731 nan 8.190 nan 0.000 0.425 283 E N 3.452 123.509 120.200 -0.238 0.000 2.288 283 E HA 0.626 4.974 4.350 -0.004 0.000 0.268 283 E C -1.876 174.556 176.600 -0.279 0.000 0.885 283 E CA -0.617 55.687 56.400 -0.159 0.000 0.767 283 E CB 2.898 32.553 29.700 -0.074 0.000 1.220 283 E HN 0.490 nan 8.360 nan 0.000 0.427 284 F N 1.367 121.410 119.950 0.156 0.000 2.577 284 F HA 0.274 4.798 4.527 -0.004 0.000 0.344 284 F C -0.566 175.292 175.800 0.096 0.000 1.145 284 F CA -0.814 57.279 58.000 0.154 0.000 0.996 284 F CB 1.470 40.513 39.000 0.071 0.000 1.248 284 F HN 0.222 nan 8.300 nan 0.000 0.447 285 D N 3.314 123.866 120.400 0.254 0.000 2.256 285 D HA 0.254 4.892 4.640 -0.004 0.000 0.240 285 D C -0.195 176.196 176.300 0.151 0.000 1.062 285 D CA 0.006 54.105 54.000 0.164 0.000 0.832 285 D CB 1.032 41.903 40.800 0.119 0.000 1.135 285 D HN 0.454 nan 8.370 nan 0.000 0.484 286 D N 0.999 121.467 120.400 0.113 0.000 2.701 286 D HA -0.190 4.448 4.640 -0.004 0.000 0.235 286 D C -0.402 175.961 176.300 0.105 0.000 1.155 286 D CA 0.619 54.676 54.000 0.095 0.000 0.649 286 D CB -1.165 39.685 40.800 0.084 0.000 1.050 286 D HN 0.277 nan 8.370 nan 0.000 0.425 287 C N -0.032 119.332 119.300 0.106 0.000 2.365 287 C HA 0.572 5.029 4.460 -0.004 0.000 0.349 287 C C 1.010 176.012 174.990 0.021 0.000 1.191 287 C CA -0.476 58.589 59.018 0.079 0.000 2.114 287 C CB 1.789 29.585 27.740 0.093 0.000 2.367 287 C HN 0.211 nan 8.230 nan 0.000 0.530 288 T N 2.560 117.112 114.554 -0.003 0.000 2.797 288 T HA 0.477 4.824 4.350 -0.004 0.000 0.279 288 T C -0.737 173.891 174.700 -0.121 0.000 0.991 288 T CA -0.192 61.872 62.100 -0.060 0.000 0.979 288 T CB 1.016 69.862 68.868 -0.036 0.000 0.943 288 T HN 0.472 nan 8.240 nan 0.000 0.444 289 L N 5.171 126.292 121.223 -0.169 0.000 2.301 289 L HA 0.432 4.769 4.340 -0.004 0.000 0.278 289 L C -0.346 176.495 176.870 -0.049 0.000 1.022 289 L CA -0.495 54.263 54.840 -0.137 0.000 0.854 289 L CB 0.228 42.170 42.059 -0.195 0.000 1.226 289 L HN 0.485 nan 8.230 nan 0.000 0.429 290 N N 3.625 122.285 118.700 -0.067 0.000 2.497 290 N HA 0.494 5.231 4.740 -0.004 0.000 0.271 290 N C -0.079 175.369 175.510 -0.103 0.000 1.142 290 N CA 0.055 53.065 53.050 -0.067 0.000 0.965 290 N CB 1.701 40.138 38.487 -0.082 0.000 1.077 290 N HN 0.762 nan 8.380 nan 0.000 0.462 291 G N 1.178 109.890 108.800 -0.147 0.000 2.524 291 G HA2 0.695 4.652 3.960 -0.004 0.000 0.310 291 G HA3 0.695 4.652 3.960 -0.004 0.000 0.310 291 G C -0.652 173.993 174.900 -0.424 0.000 1.279 291 G CA -0.605 44.120 45.100 -0.626 0.000 0.974 291 G HN 0.473 nan 8.290 nan 0.000 0.484 292 L N 0.024 121.000 121.223 -0.411 0.000 2.359 292 L HA 0.867 5.205 4.340 -0.004 0.000 0.256 292 L C 0.979 177.789 176.870 -0.100 0.000 1.026 292 L CA -1.110 53.621 54.840 -0.181 0.000 0.828 292 L CB 1.796 43.798 42.059 -0.095 0.000 1.406 292 L HN 0.603 nan 8.230 nan 0.000 0.413 293 G N -0.449 108.340 108.800 -0.019 0.000 2.494 293 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.216 293 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.216 293 G C 0.867 175.784 174.900 0.029 0.000 1.140 293 G CA 0.727 45.844 45.100 0.029 0.000 0.801 293 G HN 0.916 nan 8.290 nan 0.000 0.536 294 D N 0.175 120.590 120.400 0.025 0.000 2.311 294 D HA -0.142 4.496 4.640 -0.004 0.000 0.212 294 D C 0.578 176.895 176.300 0.029 0.000 0.972 294 D CA 0.044 54.053 54.000 0.015 0.000 0.887 294 D CB -0.285 40.526 40.800 0.018 0.000 0.915 294 D HN 0.314 nan 8.370 nan 0.000 0.497 295 F N 1.576 121.472 119.950 -0.090 0.000 2.390 295 F HA 0.370 4.895 4.527 -0.004 0.000 0.361 295 F C -0.311 175.377 175.800 -0.186 0.000 1.124 295 F CA -0.862 57.078 58.000 -0.099 0.000 1.149 295 F CB 0.591 39.553 39.000 -0.064 0.000 1.160 295 F HN -0.286 nan 8.300 nan 0.000 0.501 296 N N 7.008 125.224 118.700 -0.807 0.000 2.824 296 N HA 0.281 5.019 4.740 -0.004 0.000 0.224 296 N C -2.951 172.111 175.510 -0.746 0.000 1.418 296 N CA -1.016 51.496 53.050 -0.896 0.000 0.743 296 N CB 0.679 38.832 38.487 -0.557 0.000 1.395 296 N HN 0.339 nan 8.380 nan 0.000 0.548 297 P HA 0.359 nan 4.420 nan 0.000 0.279 297 P C 0.181 177.278 177.300 -0.338 0.000 1.276 297 P CA -0.347 62.460 63.100 -0.488 0.000 0.801 297 P CB 1.008 32.442 31.700 -0.442 0.000 1.127 298 S N 0.134 115.712 115.700 -0.204 0.000 2.484 298 S HA 0.063 4.531 4.470 -0.004 0.000 0.256 298 S C 1.096 175.643 174.600 -0.089 0.000 1.223 298 S CA -0.144 57.975 58.200 -0.134 0.000 1.002 298 S CB -0.251 62.894 63.200 -0.092 0.000 1.043 298 S HN 0.470 nan 8.310 nan 0.000 0.517 299 E N 0.003 120.175 120.200 -0.046 0.000 2.478 299 E HA 0.107 4.455 4.350 -0.004 0.000 0.194 299 E C 1.890 178.484 176.600 -0.009 0.000 1.045 299 E CA 0.351 56.744 56.400 -0.012 0.000 0.868 299 E CB 0.033 29.734 29.700 0.001 0.000 0.885 299 E HN 0.525 nan 8.360 nan 0.000 0.505 300 S N 0.552 116.239 115.700 -0.021 0.000 2.387 300 S HA -0.145 4.322 4.470 -0.004 0.000 0.226 300 S C 1.077 175.670 174.600 -0.011 0.000 1.026 300 S CA 1.463 59.654 58.200 -0.014 0.000 0.972 300 S CB -0.032 63.158 63.200 -0.017 0.000 0.814 300 S HN 0.177 nan 8.310 nan 0.000 0.477 301 D N 0.929 121.319 120.400 -0.018 0.000 2.149 301 D HA 0.043 4.680 4.640 -0.004 0.000 0.201 301 D C 0.652 176.966 176.300 0.023 0.000 0.972 301 D CA 0.571 54.571 54.000 -0.001 0.000 0.835 301 D CB -0.204 40.583 40.800 -0.021 0.000 0.966 301 D HN 0.245 nan 8.370 nan 0.000 0.476 302 V N 1.193 121.127 119.914 0.032 0.000 2.881 302 V HA 0.168 4.286 4.120 -0.004 0.000 0.303 302 V C 0.442 176.552 176.094 0.026 0.000 1.070 302 V CA -0.613 61.728 62.300 0.068 0.000 1.074 302 V CB 1.714 33.605 31.823 0.113 0.000 1.012 302 V HN -0.120 nan 8.190 nan 0.000 0.482 303 V N 3.002 122.924 119.914 0.013 0.000 2.547 303 V HA 0.497 4.614 4.120 -0.004 0.000 0.299 303 V C 0.549 176.654 176.094 0.018 0.000 1.040 303 V CA 0.249 62.538 62.300 -0.019 0.000 0.913 303 V CB 1.632 33.407 31.823 -0.080 0.000 0.992 303 V HN 1.058 nan 8.190 nan 0.000 0.449 304 S N 1.164 116.877 115.700 0.023 0.000 2.900 304 S HA 0.280 4.748 4.470 -0.004 0.000 0.253 304 S C -0.006 174.622 174.600 0.047 0.000 1.029 304 S CA -0.367 57.866 58.200 0.055 0.000 1.096 304 S CB 0.068 63.309 63.200 0.069 0.000 1.067 304 S HN 0.764 nan 8.310 nan 0.000 0.610 305 E N 1.007 121.217 120.200 0.017 0.000 2.129 305 E HA 0.481 4.828 4.350 -0.004 0.000 0.268 305 E C -0.942 175.661 176.600 0.005 0.000 0.900 305 E CA -0.657 55.750 56.400 0.011 0.000 0.755 305 E CB 0.897 30.591 29.700 -0.010 0.000 1.117 305 E HN 0.196 nan 8.360 nan 0.000 0.410 306 L N 5.089 126.327 121.223 0.024 0.000 3.094 306 L HA 0.329 4.666 4.340 -0.004 0.000 0.254 306 L C 0.946 177.830 176.870 0.024 0.000 1.298 306 L CA 0.593 55.450 54.840 0.029 0.000 1.050 306 L CB 0.256 42.349 42.059 0.056 0.000 1.420 306 L HN 0.925 nan 8.230 nan 0.000 0.548 307 G N 0.786 109.592 108.800 0.010 0.000 2.648 307 G HA2 -0.418 3.539 3.960 -0.004 0.000 0.357 307 G HA3 -0.418 3.539 3.960 -0.004 0.000 0.357 307 G C 0.937 175.846 174.900 0.014 0.000 1.342 307 G CA 0.705 45.810 45.100 0.009 0.000 0.978 307 G HN 0.445 nan 8.290 nan 0.000 0.532 308 K N 0.006 120.414 120.400 0.012 0.000 2.500 308 K HA 0.377 4.694 4.320 -0.004 0.000 0.206 308 K C 0.323 176.927 176.600 0.007 0.000 1.034 308 K CA -0.239 56.053 56.287 0.007 0.000 1.179 308 K CB 0.801 33.301 32.500 0.001 0.000 0.884 308 K HN 0.245 nan 8.250 nan 0.000 0.493 309 V N 3.580 123.505 119.914 0.019 0.000 2.434 309 V HA -0.085 4.032 4.120 -0.004 0.000 0.281 309 V C 1.407 177.511 176.094 0.018 0.000 1.005 309 V CA 0.792 63.106 62.300 0.023 0.000 1.089 309 V CB -0.083 31.769 31.823 0.048 0.000 0.978 309 V HN 0.484 nan 8.190 nan 0.000 0.474 310 E N 2.569 122.770 120.200 0.001 0.000 2.490 310 E HA 0.120 4.468 4.350 -0.004 0.000 0.209 310 E C 0.231 176.827 176.600 -0.007 0.000 0.971 310 E CA -0.111 56.286 56.400 -0.004 0.000 0.988 310 E CB 0.749 30.438 29.700 -0.018 0.000 1.029 310 E HN 0.570 nan 8.360 nan 0.000 0.496 311 T N 1.389 115.936 114.554 -0.012 0.000 2.840 311 T HA 0.418 4.766 4.350 -0.004 0.000 0.287 311 T C -1.092 173.616 174.700 0.013 0.000 0.991 311 T CA -0.511 61.581 62.100 -0.013 0.000 0.964 311 T CB 2.188 71.021 68.868 -0.058 0.000 0.954 311 T HN -0.061 nan 8.240 nan 0.000 0.438 312 V N 4.046 123.988 119.914 0.047 0.000 2.376 312 V HA 0.463 4.580 4.120 -0.004 0.000 0.287 312 V C 0.013 176.163 176.094 0.093 0.000 1.015 312 V CA -0.663 61.691 62.300 0.089 0.000 0.834 312 V CB 1.634 33.538 31.823 0.134 0.000 1.001 312 V HN 0.968 nan 8.190 nan 0.000 0.428 313 T N 6.747 121.351 114.554 0.083 0.000 2.779 313 T HA 0.696 5.044 4.350 -0.004 0.000 0.280 313 T C -0.326 174.459 174.700 0.142 0.000 0.987 313 T CA -0.155 61.996 62.100 0.084 0.000 0.966 313 T CB 1.017 69.907 68.868 0.035 0.000 0.933 313 T HN 0.381 nan 8.240 nan 0.000 0.442 314 I N 3.586 124.236 120.570 0.134 0.000 2.466 314 I HA 0.509 4.676 4.170 -0.004 0.000 0.289 314 I C -0.160 176.011 176.117 0.089 0.000 1.026 314 I CA -0.859 60.534 61.300 0.156 0.000 1.078 314 I CB 1.817 39.886 38.000 0.114 0.000 1.249 314 I HN 0.353 nan 8.210 nan 0.000 0.429 315 R N 5.280 125.838 120.500 0.096 0.000 2.621 315 R HA 0.543 4.881 4.340 -0.004 0.000 0.284 315 R C -0.687 175.646 176.300 0.054 0.000 0.998 315 R CA -1.107 55.029 56.100 0.060 0.000 0.895 315 R CB 2.114 32.450 30.300 0.059 0.000 1.195 315 R HN 0.527 nan 8.270 nan 0.000 0.450 316 R N 1.040 121.557 120.500 0.028 0.000 3.188 316 R HA -0.206 4.132 4.340 -0.004 0.000 0.247 316 R C -0.583 175.737 176.300 0.033 0.000 0.918 316 R CA 0.195 56.309 56.100 0.023 0.000 0.629 316 R CB -1.207 29.111 30.300 0.030 0.000 1.087 316 R HN 0.319 nan 8.270 nan 0.000 0.462 317 L N 1.161 122.389 121.223 0.009 0.000 2.276 317 L HA 0.320 4.658 4.340 -0.004 0.000 0.286 317 L C -0.103 176.781 176.870 0.024 0.000 1.061 317 L CA -0.510 54.324 54.840 -0.011 0.000 0.807 317 L CB 0.819 42.827 42.059 -0.086 0.000 1.177 317 L HN 0.186 nan 8.230 nan 0.000 0.429 318 H N 6.385 125.410 119.070 -0.077 0.000 2.541 318 H HA 0.478 5.031 4.556 -0.005 0.000 0.316 318 H C -1.065 174.217 175.328 -0.077 0.000 1.043 318 H CA -1.122 54.885 56.048 -0.068 0.000 1.232 318 H CB 0.695 30.436 29.762 -0.035 0.000 1.406 318 H HN 0.525 nan 8.280 nan 0.000 0.469 319 I N 8.882 129.389 120.570 -0.104 0.000 2.442 319 I HA 0.168 4.335 4.170 -0.004 0.000 0.279 319 I C -1.739 174.270 176.117 -0.181 0.000 1.081 319 I CA -2.133 59.046 61.300 -0.202 0.000 1.197 319 I CB 0.660 38.556 38.000 -0.174 0.000 1.394 319 I HN 0.530 nan 8.210 nan 0.000 0.488 320 P HA -0.199 nan 4.420 nan 0.000 0.218 320 P C 0.344 177.620 177.300 -0.040 0.000 1.165 320 P CA 1.683 64.683 63.100 -0.166 0.000 0.922 320 P CB 0.301 31.882 31.700 -0.198 0.000 0.794 321 Q N -2.589 117.173 119.800 -0.064 0.000 2.397 321 Q HA 0.186 4.523 4.340 -0.004 0.000 0.260 321 Q C -0.180 175.761 176.000 -0.097 0.000 1.002 321 Q CA -0.483 55.194 55.803 -0.210 0.000 0.716 321 Q CB 0.590 29.135 28.738 -0.321 0.000 1.258 321 Q HN -0.019 nan 8.270 nan 0.000 0.477 322 F N 3.198 122.977 119.950 -0.285 0.000 2.259 322 F HA -0.168 4.357 4.527 -0.002 0.000 0.298 322 F C 1.336 177.103 175.800 -0.055 0.000 1.088 322 F CA 1.254 59.101 58.000 -0.255 0.000 1.358 322 F CB 0.233 39.093 39.000 -0.233 0.000 1.040 322 F HN 0.685 nan 8.300 nan 0.000 0.505 323 Y N -1.177 119.103 120.300 -0.034 0.000 2.583 323 Y HA 0.180 4.727 4.550 -0.004 0.000 0.293 323 Y C 1.166 177.070 175.900 0.007 0.000 1.157 323 Y CA 0.020 58.049 58.100 -0.119 0.000 1.315 323 Y CB -1.648 36.803 38.460 -0.014 0.000 1.021 323 Y HN 0.047 nan 8.280 nan 0.000 0.536 324 L N 0.717 122.010 121.223 0.116 0.000 2.718 324 L HA 0.154 4.492 4.340 -0.004 0.000 0.242 324 L C -1.025 175.848 176.870 0.006 0.000 1.203 324 L CA 0.010 54.912 54.840 0.105 0.000 1.011 324 L CB -0.528 41.506 42.059 -0.042 0.000 1.250 324 L HN 0.102 nan 8.230 nan 0.000 0.437 325 F N -1.173 118.688 119.950 -0.148 0.000 2.477 325 F HA 0.303 4.828 4.527 -0.003 0.000 0.335 325 F C 0.410 176.127 175.800 -0.138 0.000 1.130 325 F CA -1.635 56.268 58.000 -0.161 0.000 0.948 325 F CB 0.702 39.483 39.000 -0.364 0.000 1.154 325 F HN -0.048 nan 8.300 nan 0.000 0.439 326 Y N -0.838 119.503 120.300 0.068 0.000 2.546 326 Y HA 0.110 4.658 4.550 -0.003 0.000 0.351 326 Y C 0.583 176.487 175.900 0.005 0.000 1.266 326 Y CA -1.475 56.639 58.100 0.022 0.000 1.487 326 Y CB -0.036 38.427 38.460 0.005 0.000 1.365 326 Y HN 0.634 nan 8.280 nan 0.000 0.642 327 D N 1.569 122.007 120.400 0.062 0.000 2.899 327 D HA -0.093 4.544 4.640 -0.004 0.000 0.254 327 D C -0.270 175.908 176.300 -0.203 0.000 1.320 327 D CA 0.621 54.585 54.000 -0.060 0.000 0.929 327 D CB -0.063 40.733 40.800 -0.006 0.000 1.148 327 D HN 0.631 nan 8.370 nan 0.000 0.571 328 L N 3.799 124.866 121.223 -0.261 0.000 2.530 328 L HA -0.024 4.313 4.340 -0.004 0.000 0.247 328 L C 1.555 178.254 176.870 -0.285 0.000 1.416 328 L CA -0.033 54.643 54.840 -0.273 0.000 1.202 328 L CB -0.415 41.524 42.059 -0.201 0.000 1.415 328 L HN 0.355 nan 8.230 nan 0.000 0.443 329 S N -0.890 114.611 115.700 -0.333 0.000 2.502 329 S HA -0.097 4.371 4.470 -0.004 0.000 0.215 329 S C 1.950 176.456 174.600 -0.156 0.000 1.009 329 S CA 0.757 58.628 58.200 -0.547 0.000 0.908 329 S CB 0.255 63.202 63.200 -0.423 0.000 0.801 329 S HN 0.651 nan 8.310 nan 0.000 0.505 330 T N 1.370 115.900 114.554 -0.040 0.000 2.897 330 T HA -0.069 4.278 4.350 -0.004 0.000 0.271 330 T C 1.452 176.244 174.700 0.153 0.000 1.084 330 T CA 1.770 63.921 62.100 0.084 0.000 1.123 330 T CB -0.373 68.566 68.868 0.119 0.000 0.865 330 T HN 0.385 nan 8.240 nan 0.000 0.496 331 V N -2.281 117.752 119.914 0.199 0.000 3.650 331 V HA 0.283 4.400 4.120 -0.004 0.000 0.271 331 V C 1.896 178.260 176.094 0.450 0.000 1.281 331 V CA 0.024 62.508 62.300 0.306 0.000 1.120 331 V CB -1.182 30.795 31.823 0.256 0.000 0.856 331 V HN 0.300 nan 8.190 nan 0.000 0.443 332 Y N 1.770 122.132 120.300 0.104 0.000 2.293 332 Y HA 0.036 4.584 4.550 -0.003 0.000 0.291 332 Y C 2.737 178.684 175.900 0.077 0.000 1.137 332 Y CA 1.300 59.398 58.100 -0.004 0.000 1.202 332 Y CB -0.550 37.666 38.460 -0.408 0.000 0.990 332 Y HN 0.298 nan 8.280 nan 0.000 0.537 333 S N -0.390 115.469 115.700 0.264 0.000 2.575 333 S HA 0.095 4.563 4.470 -0.004 0.000 0.215 333 S C 1.788 176.487 174.600 0.166 0.000 0.966 333 S CA 0.173 58.504 58.200 0.219 0.000 0.911 333 S CB -0.139 63.164 63.200 0.172 0.000 0.780 333 S HN 0.327 nan 8.310 nan 0.000 0.514 334 L N 0.247 121.574 121.223 0.175 0.000 2.270 334 L HA 0.197 4.534 4.340 -0.004 0.000 0.210 334 L C 1.326 178.272 176.870 0.127 0.000 1.104 334 L CA 0.850 55.777 54.840 0.144 0.000 0.804 334 L CB -0.410 41.752 42.059 0.172 0.000 0.937 334 L HN 0.269 nan 8.230 nan 0.000 0.450 335 L N 0.090 121.389 121.223 0.127 0.000 2.667 335 L HA 0.083 4.420 4.340 -0.004 0.000 0.232 335 L C 2.083 178.980 176.870 0.046 0.000 1.138 335 L CA -0.059 54.824 54.840 0.071 0.000 0.921 335 L CB -0.357 41.713 42.059 0.018 0.000 1.180 335 L HN 0.287 nan 8.230 nan 0.000 0.487 336 E N 1.231 121.477 120.200 0.076 0.000 2.171 336 E HA -0.252 4.096 4.350 -0.004 0.000 0.197 336 E C 1.422 178.042 176.600 0.034 0.000 0.997 336 E CA 1.384 57.821 56.400 0.061 0.000 0.810 336 E CB -0.130 29.616 29.700 0.075 0.000 0.738 336 E HN 0.453 nan 8.360 nan 0.000 0.467 337 K N 0.713 121.134 120.400 0.034 0.000 2.358 337 K HA 0.182 4.500 4.320 -0.004 0.000 0.200 337 K C -0.272 176.338 176.600 0.017 0.000 1.030 337 K CA -0.106 56.194 56.287 0.023 0.000 1.097 337 K CB 1.215 33.729 32.500 0.023 0.000 0.862 337 K HN -0.050 nan 8.250 nan 0.000 0.534 338 V N 2.740 122.665 119.914 0.019 0.000 2.540 338 V HA -0.044 4.074 4.120 -0.004 0.000 0.297 338 V C 1.121 177.216 176.094 0.002 0.000 1.024 338 V CA 0.620 62.928 62.300 0.014 0.000 1.105 338 V CB 0.814 32.649 31.823 0.020 0.000 0.938 338 V HN 0.228 nan 8.190 nan 0.000 0.482 339 K N 3.602 124.004 120.400 0.002 0.000 2.242 339 K HA 0.237 4.554 4.320 -0.004 0.000 0.200 339 K C 0.413 177.028 176.600 0.024 0.000 1.050 339 K CA 0.496 56.784 56.287 0.002 0.000 0.981 339 K CB 0.330 32.824 32.500 -0.009 0.000 0.795 339 K HN 0.557 nan 8.250 nan 0.000 0.477 340 R N 0.695 121.215 120.500 0.033 0.000 2.538 340 R HA 0.487 4.824 4.340 -0.004 0.000 0.292 340 R C -1.071 175.291 176.300 0.104 0.000 1.008 340 R CA -0.383 55.786 56.100 0.114 0.000 0.896 340 R CB 2.039 32.359 30.300 0.033 0.000 1.187 340 R HN -0.056 nan 8.270 nan 0.000 0.440 341 I N 1.442 122.081 120.570 0.116 0.000 2.582 341 I HA 0.379 4.546 4.170 -0.004 0.000 0.292 341 I C -0.653 175.486 176.117 0.037 0.000 1.066 341 I CA -0.666 60.660 61.300 0.044 0.000 1.053 341 I CB 2.875 40.850 38.000 -0.042 0.000 1.241 341 I HN 0.508 nan 8.210 nan 0.000 0.421 342 T N 5.128 119.718 114.554 0.060 0.000 2.949 342 T HA 0.434 4.781 4.350 -0.004 0.000 0.300 342 T C -0.686 174.028 174.700 0.025 0.000 0.988 342 T CA -0.413 61.713 62.100 0.043 0.000 0.993 342 T CB 1.684 70.621 68.868 0.115 0.000 0.984 342 T HN 0.176 nan 8.240 nan 0.000 0.442 343 V N 4.582 124.485 119.914 -0.018 0.000 2.357 343 V HA 0.438 4.555 4.120 -0.004 0.000 0.281 343 V C -0.088 175.987 176.094 -0.032 0.000 1.015 343 V CA -0.864 61.425 62.300 -0.017 0.000 0.827 343 V CB 1.034 32.837 31.823 -0.035 0.000 1.018 343 V HN 0.940 nan 8.190 nan 0.000 0.432 344 E N 3.275 123.466 120.200 -0.014 0.000 2.227 344 E HA 0.532 4.880 4.350 -0.004 0.000 0.268 344 E C 0.179 176.767 176.600 -0.019 0.000 0.907 344 E CA -1.030 55.358 56.400 -0.020 0.000 0.786 344 E CB 1.257 30.954 29.700 -0.006 0.000 1.191 344 E HN 0.312 nan 8.360 nan 0.000 0.411 345 N N 1.091 119.774 118.700 -0.028 0.000 2.699 345 N HA -0.199 4.539 4.740 -0.004 0.000 0.256 345 N C -1.020 174.473 175.510 -0.027 0.000 0.993 345 N CA 1.136 54.169 53.050 -0.027 0.000 0.759 345 N CB -1.140 37.337 38.487 -0.017 0.000 0.906 345 N HN 0.480 nan 8.380 nan 0.000 0.541 346 S N -0.068 115.608 115.700 -0.041 0.000 2.855 346 S HA 0.207 4.674 4.470 -0.004 0.000 0.249 346 S C 0.230 174.787 174.600 -0.071 0.000 1.033 346 S CA -0.205 57.962 58.200 -0.055 0.000 1.038 346 S CB 0.494 63.649 63.200 -0.074 0.000 0.960 346 S HN 0.487 nan 8.310 nan 0.000 0.548 347 K N 0.918 121.290 120.400 -0.046 0.000 3.129 347 K HA -0.125 4.193 4.320 -0.004 0.000 0.273 347 K C -0.479 176.112 176.600 -0.015 0.000 1.123 347 K CA 0.137 56.411 56.287 -0.022 0.000 0.800 347 K CB -2.041 30.448 32.500 -0.018 0.000 1.238 347 K HN 0.260 nan 8.250 nan 0.000 0.492 348 V N 1.775 121.656 119.914 -0.054 0.000 2.572 348 V HA 0.047 4.164 4.120 -0.004 0.000 0.291 348 V C 1.033 177.128 176.094 0.001 0.000 1.039 348 V CA 0.723 62.963 62.300 -0.099 0.000 1.055 348 V CB 0.015 31.772 31.823 -0.110 0.000 0.969 348 V HN 0.393 nan 8.190 nan 0.000 0.482 349 F N 4.277 124.151 119.950 -0.127 0.000 2.767 349 F HA 0.705 5.229 4.527 -0.005 0.000 0.323 349 F C -0.440 175.285 175.800 -0.125 0.000 1.091 349 F CA -0.496 57.423 58.000 -0.134 0.000 1.192 349 F CB 0.511 39.377 39.000 -0.223 0.000 1.056 349 F HN 0.358 nan 8.300 nan 0.000 0.571 350 L N 1.347 122.138 121.223 -0.720 0.000 2.611 350 L HA 0.626 4.964 4.340 -0.004 0.000 0.260 350 L C -1.873 174.827 176.870 -0.283 0.000 0.924 350 L CA -0.580 53.976 54.840 -0.472 0.000 0.901 350 L CB 2.269 43.906 42.059 -0.704 0.000 1.369 350 L HN -0.123 nan 8.230 nan 0.000 0.415 351 V N 6.509 126.413 119.914 -0.016 0.000 2.257 351 V HA 0.421 4.538 4.120 -0.004 0.000 0.269 351 V C -1.997 174.191 176.094 0.158 0.000 1.040 351 V CA -1.403 60.991 62.300 0.156 0.000 0.813 351 V CB 0.870 32.909 31.823 0.360 0.000 1.065 351 V HN 0.670 nan 8.190 nan 0.000 0.457 352 P HA -0.101 nan 4.420 nan 0.000 0.261 352 P C 1.297 178.669 177.300 0.119 0.000 1.165 352 P CA 0.460 63.628 63.100 0.114 0.000 0.759 352 P CB 0.835 32.606 31.700 0.120 0.000 0.772 353 c N 3.700 122.325 118.600 0.042 0.000 2.336 353 c HA -0.236 4.332 4.570 -0.004 0.000 0.275 353 c C 3.115 177.205 174.090 0.000 0.000 1.175 353 c CA 2.592 58.899 56.329 -0.036 0.000 1.771 353 c CB -1.752 40.742 42.510 -0.027 0.000 2.030 353 c HN 0.768 nan 8.230 nan 0.000 0.442 354 S N -0.006 115.760 115.700 0.111 0.000 2.402 354 S HA -0.251 4.216 4.470 -0.004 0.000 0.233 354 S C 1.764 176.429 174.600 0.108 0.000 1.030 354 S CA 1.888 60.210 58.200 0.203 0.000 1.003 354 S CB -1.101 62.320 63.200 0.369 0.000 0.813 354 S HN 0.724 nan 8.310 nan 0.000 0.477 355 F N 2.973 122.775 119.950 -0.246 0.000 2.134 355 F HA 0.003 4.527 4.527 -0.005 0.000 0.299 355 F C 2.458 178.097 175.800 -0.269 0.000 1.097 355 F CA 1.223 58.830 58.000 -0.654 0.000 1.264 355 F CB -0.950 37.824 39.000 -0.376 0.000 1.001 355 F HN 0.209 nan 8.300 nan 0.000 0.479 356 S N 0.204 115.781 115.700 -0.205 0.000 2.382 356 S HA -0.218 4.250 4.470 -0.004 0.000 0.228 356 S C 1.820 176.263 174.600 -0.263 0.000 1.027 356 S CA 1.354 59.355 58.200 -0.331 0.000 0.991 356 S CB -0.461 62.270 63.200 -0.782 0.000 0.823 356 S HN 0.545 nan 8.310 nan 0.000 0.469 357 Q N -0.018 119.676 119.800 -0.176 0.000 2.226 357 Q HA -0.133 4.205 4.340 -0.004 0.000 0.204 357 Q C 1.586 177.537 176.000 -0.080 0.000 0.975 357 Q CA 1.194 56.931 55.803 -0.110 0.000 0.866 357 Q CB -0.272 28.430 28.738 -0.059 0.000 0.915 357 Q HN 0.637 nan 8.270 nan 0.000 0.440 358 H N 0.097 119.068 119.070 -0.164 0.000 2.502 358 H HA 0.079 4.632 4.556 -0.005 0.000 0.283 358 H C 0.522 175.779 175.328 -0.118 0.000 1.015 358 H CA 0.505 56.480 56.048 -0.122 0.000 1.298 358 H CB 0.173 29.839 29.762 -0.160 0.000 1.411 358 H HN 0.058 nan 8.280 nan 0.000 0.556 359 L N 1.649 122.846 121.223 -0.044 0.000 2.511 359 L HA -0.000 4.337 4.340 -0.004 0.000 0.239 359 L C 1.163 178.054 176.870 0.036 0.000 1.400 359 L CA -0.026 54.804 54.840 -0.016 0.000 1.226 359 L CB 0.009 42.083 42.059 0.024 0.000 1.475 359 L HN 0.187 nan 8.230 nan 0.000 0.428 360 K N -0.339 120.065 120.400 0.008 0.000 2.211 360 K HA -0.089 4.229 4.320 -0.004 0.000 0.204 360 K C 1.531 178.142 176.600 0.018 0.000 1.047 360 K CA 1.016 57.307 56.287 0.007 0.000 0.935 360 K CB 0.132 32.625 32.500 -0.012 0.000 0.728 360 K HN 0.370 nan 8.250 nan 0.000 0.452 361 S N 0.497 116.206 115.700 0.016 0.000 2.524 361 S HA 0.066 4.534 4.470 -0.004 0.000 0.215 361 S C 0.284 174.890 174.600 0.011 0.000 0.986 361 S CA -0.493 57.715 58.200 0.013 0.000 0.911 361 S CB 0.157 63.362 63.200 0.008 0.000 0.805 361 S HN 0.101 nan 8.310 nan 0.000 0.501 362 L N 3.501 124.729 121.223 0.007 0.000 2.700 362 L HA 0.019 4.357 4.340 -0.004 0.000 0.272 362 L C 0.961 177.822 176.870 -0.014 0.000 1.176 362 L CA 0.864 55.690 54.840 -0.023 0.000 0.961 362 L CB -0.014 41.995 42.059 -0.082 0.000 1.249 362 L HN 0.180 nan 8.230 nan 0.000 0.487 363 E N 3.943 124.145 120.200 0.004 0.000 2.251 363 E HA 0.033 4.380 4.350 -0.004 0.000 0.194 363 E C -0.416 176.216 176.600 0.053 0.000 0.964 363 E CA 0.250 56.665 56.400 0.025 0.000 0.868 363 E CB 0.420 30.138 29.700 0.031 0.000 0.828 363 E HN 0.462 nan 8.360 nan 0.000 0.481 364 F N 1.499 121.365 119.950 -0.140 0.000 2.529 364 F HA 0.469 4.994 4.527 -0.004 0.000 0.320 364 F C -1.512 174.150 175.800 -0.229 0.000 1.118 364 F CA -1.368 56.532 58.000 -0.167 0.000 0.915 364 F CB 1.514 40.433 39.000 -0.135 0.000 1.161 364 F HN -0.208 nan 8.300 nan 0.000 0.445 365 L N 6.551 127.253 121.223 -0.869 0.000 2.439 365 L HA 0.491 4.829 4.340 -0.004 0.000 0.270 365 L C -1.944 174.392 176.870 -0.891 0.000 0.972 365 L CA -0.222 54.147 54.840 -0.784 0.000 0.836 365 L CB 1.569 43.098 42.059 -0.883 0.000 1.255 365 L HN 0.608 nan 8.230 nan 0.000 0.404 366 D N 5.349 125.352 120.400 -0.661 0.000 2.454 366 D HA 0.329 4.967 4.640 -0.004 0.000 0.247 366 D C -0.615 175.549 176.300 -0.226 0.000 1.129 366 D CA -0.079 53.652 54.000 -0.447 0.000 0.877 366 D CB 0.953 41.593 40.800 -0.265 0.000 1.082 366 D HN 0.668 nan 8.370 nan 0.000 0.537 367 L N 2.485 123.591 121.223 -0.196 0.000 3.108 367 L HA 0.263 4.600 4.340 -0.004 0.000 0.251 367 L C 0.591 177.412 176.870 -0.081 0.000 1.315 367 L CA -0.407 54.362 54.840 -0.117 0.000 1.048 367 L CB 0.353 42.352 42.059 -0.099 0.000 1.432 367 L HN 0.127 nan 8.230 nan 0.000 0.543 368 S N 0.944 116.600 115.700 -0.072 0.000 2.560 368 S HA 0.065 4.533 4.470 -0.004 0.000 0.284 368 S C 0.584 175.152 174.600 -0.053 0.000 1.327 368 S CA -0.088 58.080 58.200 -0.053 0.000 1.055 368 S CB 0.248 63.429 63.200 -0.032 0.000 0.868 368 S HN 0.539 nan 8.310 nan 0.000 0.506 369 E N 0.599 120.759 120.200 -0.067 0.000 2.287 369 E HA -0.218 4.129 4.350 -0.004 0.000 0.229 369 E C -0.499 176.055 176.600 -0.078 0.000 1.194 369 E CA 0.321 56.675 56.400 -0.077 0.000 0.704 369 E CB -1.790 27.880 29.700 -0.050 0.000 1.216 369 E HN 0.667 nan 8.360 nan 0.000 0.381 370 N N -0.334 118.308 118.700 -0.095 0.000 3.369 370 N HA 0.499 5.237 4.740 -0.004 0.000 0.362 370 N C -0.608 174.858 175.510 -0.072 0.000 1.523 370 N CA -0.923 52.090 53.050 -0.061 0.000 0.684 370 N CB 0.590 39.054 38.487 -0.037 0.000 1.796 370 N HN -0.085 nan 8.380 nan 0.000 0.641 371 L N 1.199 122.449 121.223 0.045 0.000 3.141 371 L HA 0.415 4.753 4.340 -0.004 0.000 0.263 371 L C -0.737 176.262 176.870 0.215 0.000 1.312 371 L CA 0.088 55.049 54.840 0.203 0.000 1.012 371 L CB -0.812 41.392 42.059 0.242 0.000 1.408 371 L HN 0.552 nan 8.230 nan 0.000 0.559 372 M N 1.949 121.621 119.600 0.120 0.000 2.217 372 M HA 0.339 4.816 4.480 -0.004 0.000 0.352 372 M C 0.277 176.697 176.300 0.199 0.000 1.376 372 M CA 0.074 55.469 55.300 0.158 0.000 1.107 372 M CB 1.313 33.979 32.600 0.109 0.000 1.723 372 M HN 0.107 nan 8.290 nan 0.000 0.461 373 V N 1.285 121.359 119.914 0.266 0.000 3.074 373 V HA 0.527 4.644 4.120 -0.004 0.000 0.314 373 V C 0.886 177.111 176.094 0.217 0.000 1.117 373 V CA -0.797 61.648 62.300 0.242 0.000 1.014 373 V CB 1.609 33.589 31.823 0.261 0.000 1.057 373 V HN 0.761 nan 8.190 nan 0.000 0.438 374 E N 0.905 121.199 120.200 0.157 0.000 2.045 374 E HA -0.246 4.101 4.350 -0.004 0.000 0.212 374 E C 1.827 178.467 176.600 0.068 0.000 1.039 374 E CA 2.683 59.150 56.400 0.112 0.000 0.860 374 E CB -0.393 29.360 29.700 0.087 0.000 0.776 374 E HN 0.926 nan 8.360 nan 0.000 0.467 375 E N -0.985 119.217 120.200 0.004 0.000 2.147 375 E HA -0.236 4.111 4.350 -0.004 0.000 0.199 375 E C 1.965 178.433 176.600 -0.220 0.000 1.005 375 E CA 1.476 57.785 56.400 -0.152 0.000 0.810 375 E CB -0.234 29.290 29.700 -0.292 0.000 0.736 375 E HN 0.433 nan 8.360 nan 0.000 0.460 376 Y N -0.563 119.797 120.300 0.100 0.000 2.490 376 Y HA -0.021 4.526 4.550 -0.005 0.000 0.285 376 Y C 1.979 177.926 175.900 0.079 0.000 1.117 376 Y CA -0.045 58.119 58.100 0.106 0.000 1.262 376 Y CB 0.130 38.693 38.460 0.170 0.000 1.043 376 Y HN 0.049 nan 8.280 nan 0.000 0.553 377 L N 1.003 122.351 121.223 0.207 0.000 2.056 377 L HA -0.150 4.188 4.340 -0.004 0.000 0.207 377 L C 2.320 179.240 176.870 0.084 0.000 1.078 377 L CA 1.811 56.746 54.840 0.159 0.000 0.749 377 L CB -0.630 41.523 42.059 0.158 0.000 0.901 377 L HN 0.060 nan 8.230 nan 0.000 0.433 378 K N -0.392 120.037 120.400 0.049 0.000 2.059 378 K HA -0.295 4.022 4.320 -0.004 0.000 0.212 378 K C 2.211 178.798 176.600 -0.021 0.000 1.050 378 K CA 2.064 58.353 56.287 0.003 0.000 0.927 378 K CB -0.408 32.082 32.500 -0.018 0.000 0.714 378 K HN 0.538 nan 8.250 nan 0.000 0.447 379 N N -0.157 118.542 118.700 -0.002 0.000 2.142 379 N HA -0.105 4.633 4.740 -0.004 0.000 0.186 379 N C 1.528 177.005 175.510 -0.055 0.000 1.023 379 N CA 1.583 54.628 53.050 -0.010 0.000 0.852 379 N CB -0.034 38.480 38.487 0.045 0.000 0.998 379 N HN 0.140 nan 8.380 nan 0.000 0.424 380 S N 0.404 116.087 115.700 -0.028 0.000 2.383 380 S HA -0.038 4.430 4.470 -0.004 0.000 0.229 380 S C 1.342 175.654 174.600 -0.479 0.000 1.030 380 S CA 1.143 59.273 58.200 -0.117 0.000 1.002 380 S CB -0.165 63.088 63.200 0.089 0.000 0.829 380 S HN 0.553 nan 8.310 nan 0.000 0.467 381 A N 1.369 123.988 122.820 -0.335 0.000 3.282 381 A HA 0.436 4.753 4.320 -0.004 0.000 0.287 381 A C 0.827 178.259 177.584 -0.255 0.000 1.366 381 A CA -0.743 51.042 52.037 -0.420 0.000 1.069 381 A CB -1.184 17.747 19.000 -0.114 0.000 1.109 381 A HN 0.619 nan 8.150 nan 0.000 0.638 382 c N -1.079 117.362 118.600 -0.265 0.000 2.776 382 c HA 0.321 4.888 4.570 -0.004 0.000 0.300 382 c C 1.985 175.988 174.090 -0.145 0.000 1.462 382 c CA -0.152 56.081 56.329 -0.159 0.000 2.246 382 c CB -0.075 42.357 42.510 -0.129 0.000 2.203 382 c HN 0.804 nan 8.230 nan 0.000 0.701 383 K N 0.767 121.111 120.400 -0.093 0.000 2.013 383 K HA -0.167 4.150 4.320 -0.004 0.000 0.225 383 K C 1.704 178.256 176.600 -0.079 0.000 1.056 383 K CA 2.436 58.681 56.287 -0.069 0.000 0.971 383 K CB -0.981 31.491 32.500 -0.048 0.000 0.731 383 K HN 0.955 nan 8.250 nan 0.000 0.450 384 G N -0.402 108.345 108.800 -0.088 0.000 3.440 384 G HA2 0.373 4.330 3.960 -0.004 0.000 0.263 384 G HA3 0.373 4.330 3.960 -0.004 0.000 0.263 384 G C -0.314 174.504 174.900 -0.137 0.000 1.236 384 G CA 0.168 45.217 45.100 -0.085 0.000 0.927 384 G HN 0.481 nan 8.290 nan 0.000 0.530 385 A N 0.109 122.791 122.820 -0.229 0.000 2.425 385 A HA 0.459 4.776 4.320 -0.004 0.000 0.249 385 A C 0.604 178.022 177.584 -0.277 0.000 1.084 385 A CA -0.495 51.266 52.037 -0.461 0.000 0.781 385 A CB -0.102 18.430 19.000 -0.780 0.000 1.019 385 A HN 0.603 nan 8.150 nan 0.000 0.490 386 W N 1.067 122.327 121.300 -0.065 0.000 6.860 386 W HA -0.131 4.530 4.660 0.003 0.000 0.428 386 W C -2.014 174.479 176.519 -0.043 0.000 1.769 386 W CA -0.034 57.271 57.345 -0.067 0.000 1.101 386 W CB -2.144 27.275 29.460 -0.068 0.000 2.946 386 W HN 0.643 nan 8.180 nan 0.000 1.441 387 P HA -0.190 nan 4.420 nan 0.000 0.216 387 P C 1.391 178.733 177.300 0.070 0.000 1.154 387 P CA 2.674 65.811 63.100 0.061 0.000 0.865 387 P CB 0.139 31.855 31.700 0.027 0.000 0.789 388 S N -1.841 113.906 115.700 0.078 0.000 2.568 388 S HA 0.154 4.621 4.470 -0.004 0.000 0.232 388 S C 0.421 175.056 174.600 0.058 0.000 0.975 388 S CA -0.454 57.780 58.200 0.056 0.000 0.949 388 S CB -0.488 62.733 63.200 0.037 0.000 0.829 388 S HN -0.012 nan 8.310 nan 0.000 0.479 389 L N 2.995 124.272 121.223 0.090 0.000 2.584 389 L HA 0.052 4.389 4.340 -0.004 0.000 0.272 389 L C 1.067 177.960 176.870 0.038 0.000 1.195 389 L CA 1.059 55.928 54.840 0.049 0.000 0.920 389 L CB 0.317 42.424 42.059 0.080 0.000 1.173 389 L HN 0.209 nan 8.230 nan 0.000 0.489 390 Q N 1.982 121.792 119.800 0.016 0.000 2.423 390 Q HA 0.200 4.537 4.340 -0.004 0.000 0.231 390 Q C -0.266 175.737 176.000 0.004 0.000 0.894 390 Q CA 0.446 56.261 55.803 0.020 0.000 0.938 390 Q CB 0.554 29.304 28.738 0.020 0.000 1.079 390 Q HN 0.694 nan 8.270 nan 0.000 0.552 391 T N 1.775 116.322 114.554 -0.012 0.000 2.841 391 T HA 0.527 4.875 4.350 -0.004 0.000 0.285 391 T C -1.383 173.183 174.700 -0.224 0.000 0.991 391 T CA -0.519 61.549 62.100 -0.054 0.000 0.966 391 T CB 1.777 70.708 68.868 0.105 0.000 0.962 391 T HN -0.017 nan 8.240 nan 0.000 0.438 392 L N 4.150 125.254 121.223 -0.198 0.000 2.406 392 L HA 0.764 5.101 4.340 -0.004 0.000 0.272 392 L C -1.440 175.310 176.870 -0.200 0.000 0.980 392 L CA -0.662 54.017 54.840 -0.268 0.000 0.831 392 L CB 1.640 43.619 42.059 -0.133 0.000 1.253 392 L HN 0.468 nan 8.230 nan 0.000 0.406 393 V N 7.128 126.863 119.914 -0.298 0.000 2.357 393 V HA 0.420 4.538 4.120 -0.004 0.000 0.284 393 V C 0.255 176.275 176.094 -0.123 0.000 1.018 393 V CA -0.196 62.003 62.300 -0.169 0.000 0.841 393 V CB 1.465 33.171 31.823 -0.194 0.000 0.991 393 V HN 0.726 nan 8.190 nan 0.000 0.437 394 L N 3.655 124.858 121.223 -0.034 0.000 3.255 394 L HA 0.245 4.582 4.340 -0.004 0.000 0.293 394 L C 1.726 178.599 176.870 0.005 0.000 1.302 394 L CA 0.174 55.010 54.840 -0.008 0.000 0.977 394 L CB 0.857 42.947 42.059 0.051 0.000 1.390 394 L HN 0.733 nan 8.230 nan 0.000 0.588 395 S N 0.625 116.321 115.700 -0.007 0.000 2.492 395 S HA -0.275 4.193 4.470 -0.004 0.000 0.234 395 S C 1.042 175.615 174.600 -0.045 0.000 1.050 395 S CA 1.594 59.792 58.200 -0.004 0.000 1.203 395 S CB 0.016 63.215 63.200 -0.002 0.000 1.161 395 S HN 0.586 nan 8.310 nan 0.000 0.417 396 Q N 1.651 121.409 119.800 -0.070 0.000 2.571 396 Q HA 0.331 4.668 4.340 -0.004 0.000 0.222 396 Q C -1.028 174.856 176.000 -0.192 0.000 1.167 396 Q CA -0.307 55.423 55.803 -0.121 0.000 0.966 396 Q CB 0.038 28.716 28.738 -0.101 0.000 1.274 396 Q HN 0.463 nan 8.270 nan 0.000 0.552 397 N N -0.374 118.189 118.700 -0.229 0.000 3.369 397 N HA 0.360 5.097 4.740 -0.004 0.000 0.362 397 N C -0.845 174.397 175.510 -0.446 0.000 1.523 397 N CA -0.712 52.148 53.050 -0.317 0.000 0.684 397 N CB 0.826 39.239 38.487 -0.123 0.000 1.796 397 N HN 0.307 nan 8.380 nan 0.000 0.641 398 H N 0.067 119.117 119.070 -0.033 0.000 2.472 398 H HA 0.361 4.916 4.556 -0.002 0.000 0.287 398 H C -0.529 174.770 175.328 -0.049 0.000 1.112 398 H CA -0.176 55.843 56.048 -0.048 0.000 1.021 398 H CB -0.347 29.412 29.762 -0.007 0.000 1.635 398 H HN 0.181 nan 8.280 nan 0.000 0.559 399 L N 0.623 121.840 121.223 -0.009 0.000 2.439 399 L HA 0.220 4.558 4.340 -0.004 0.000 0.269 399 L C 1.364 178.162 176.870 -0.121 0.000 1.179 399 L CA 0.224 55.077 54.840 0.020 0.000 0.828 399 L CB 1.035 43.158 42.059 0.107 0.000 1.106 399 L HN 0.150 nan 8.230 nan 0.000 0.467 400 R N 0.175 120.689 120.500 0.024 0.000 2.568 400 R HA 0.139 4.476 4.340 -0.004 0.000 0.254 400 R C 0.053 176.452 176.300 0.166 0.000 0.925 400 R CA -0.044 56.008 56.100 -0.080 0.000 1.025 400 R CB 1.007 31.210 30.300 -0.162 0.000 1.428 400 R HN 0.539 nan 8.270 nan 0.000 0.573 401 S N 0.804 116.689 115.700 0.308 0.000 2.474 401 S HA 0.291 4.759 4.470 -0.004 0.000 0.321 401 S C 0.673 175.387 174.600 0.190 0.000 1.080 401 S CA -0.454 57.911 58.200 0.276 0.000 1.106 401 S CB 1.308 64.622 63.200 0.189 0.000 0.984 401 S HN 0.156 nan 8.310 nan 0.000 0.464 402 M N 3.997 123.602 119.600 0.009 0.000 2.067 402 M HA -0.130 4.347 4.480 -0.004 0.000 0.260 402 M C 2.264 178.428 176.300 -0.227 0.000 1.069 402 M CA 1.794 56.949 55.300 -0.242 0.000 1.117 402 M CB -0.304 32.135 32.600 -0.268 0.000 1.334 402 M HN 0.908 nan 8.290 nan 0.000 0.407 403 Q N 0.225 119.900 119.800 -0.208 0.000 2.030 403 Q HA -0.285 4.052 4.340 -0.004 0.000 0.204 403 Q C 2.016 177.861 176.000 -0.258 0.000 0.986 403 Q CA 2.153 57.769 55.803 -0.310 0.000 0.843 403 Q CB -0.169 28.465 28.738 -0.174 0.000 0.904 403 Q HN 0.418 nan 8.270 nan 0.000 0.420 404 K N -0.898 119.439 120.400 -0.106 0.000 2.074 404 K HA -0.160 4.158 4.320 -0.004 0.000 0.209 404 K C 2.000 178.573 176.600 -0.044 0.000 1.048 404 K CA 1.825 58.081 56.287 -0.052 0.000 0.926 404 K CB -0.064 32.449 32.500 0.023 0.000 0.713 404 K HN 0.268 nan 8.250 nan 0.000 0.444 405 T N -0.527 114.020 114.554 -0.012 0.000 2.777 405 T HA -0.077 4.271 4.350 -0.004 0.000 0.266 405 T C 1.692 176.399 174.700 0.010 0.000 1.040 405 T CA 1.314 63.453 62.100 0.064 0.000 1.141 405 T CB -0.323 68.659 68.868 0.190 0.000 0.868 405 T HN 0.495 nan 8.240 nan 0.000 0.444 406 G N 0.858 109.510 108.800 -0.246 0.000 2.408 406 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.217 406 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.217 406 G C 1.362 176.133 174.900 -0.215 0.000 1.150 406 G CA 0.945 45.816 45.100 -0.381 0.000 0.776 406 G HN 0.576 nan 8.290 nan 0.000 0.542 407 E N 0.199 120.252 120.200 -0.246 0.000 2.038 407 E HA -0.129 4.218 4.350 -0.004 0.000 0.195 407 E C 2.464 179.028 176.600 -0.059 0.000 1.000 407 E CA 0.987 57.300 56.400 -0.146 0.000 0.803 407 E CB -0.244 29.374 29.700 -0.136 0.000 0.750 407 E HN 0.479 nan 8.360 nan 0.000 0.448 408 I N 0.909 121.461 120.570 -0.031 0.000 2.264 408 I HA -0.280 3.888 4.170 -0.004 0.000 0.248 408 I C 2.183 178.318 176.117 0.030 0.000 1.111 408 I CA 0.924 62.226 61.300 0.004 0.000 1.382 408 I CB -0.154 37.863 38.000 0.029 0.000 1.060 408 I HN 0.238 nan 8.210 nan 0.000 0.418 409 L N 0.275 121.537 121.223 0.064 0.000 2.610 409 L HA -0.083 4.254 4.340 -0.004 0.000 0.232 409 L C 2.187 179.113 176.870 0.093 0.000 1.149 409 L CA 0.230 55.136 54.840 0.110 0.000 0.872 409 L CB -0.313 41.854 42.059 0.180 0.000 0.992 409 L HN 0.304 nan 8.230 nan 0.000 0.447 410 L N -0.158 121.097 121.223 0.052 0.000 2.265 410 L HA -0.183 4.155 4.340 -0.004 0.000 0.215 410 L C 2.679 179.573 176.870 0.039 0.000 1.117 410 L CA 1.618 56.485 54.840 0.045 0.000 0.782 410 L CB -0.910 41.156 42.059 0.011 0.000 0.914 410 L HN 0.475 nan 8.230 nan 0.000 0.441 411 T N -2.107 112.462 114.554 0.025 0.000 2.977 411 T HA -0.095 4.252 4.350 -0.004 0.000 0.271 411 T C 0.838 175.554 174.700 0.027 0.000 1.105 411 T CA 0.522 62.626 62.100 0.008 0.000 1.116 411 T CB -0.486 68.368 68.868 -0.024 0.000 0.878 411 T HN 0.160 nan 8.240 nan 0.000 0.509 412 L N 1.658 122.919 121.223 0.065 0.000 2.259 412 L HA 0.384 4.721 4.340 -0.004 0.000 0.288 412 L C 1.124 178.042 176.870 0.080 0.000 1.051 412 L CA -0.902 53.994 54.840 0.093 0.000 0.824 412 L CB 1.085 43.233 42.059 0.147 0.000 1.206 412 L HN -0.061 nan 8.230 nan 0.000 0.429 413 K N 1.217 121.655 120.400 0.063 0.000 2.211 413 K HA 0.065 4.382 4.320 -0.004 0.000 0.201 413 K C 1.035 177.668 176.600 0.054 0.000 1.052 413 K CA 0.676 56.995 56.287 0.054 0.000 0.973 413 K CB 0.121 32.644 32.500 0.038 0.000 0.766 413 K HN 0.471 nan 8.250 nan 0.000 0.466 414 N N 0.988 119.721 118.700 0.057 0.000 2.412 414 N HA -0.022 4.715 4.740 -0.004 0.000 0.184 414 N C 0.256 175.797 175.510 0.052 0.000 1.101 414 N CA -0.075 53.004 53.050 0.049 0.000 0.881 414 N CB -0.036 38.477 38.487 0.044 0.000 0.969 414 N HN 0.040 nan 8.380 nan 0.000 0.459 415 L N 1.962 123.224 121.223 0.066 0.000 2.601 415 L HA -0.066 4.271 4.340 -0.004 0.000 0.277 415 L C 1.459 178.363 176.870 0.057 0.000 1.219 415 L CA 0.881 55.760 54.840 0.065 0.000 0.915 415 L CB 0.437 42.550 42.059 0.090 0.000 1.160 415 L HN 0.187 nan 8.230 nan 0.000 0.494 416 T N -1.570 113.010 114.554 0.043 0.000 2.954 416 T HA 0.300 4.648 4.350 -0.004 0.000 0.252 416 T C 0.569 175.305 174.700 0.060 0.000 0.983 416 T CA 0.086 62.212 62.100 0.044 0.000 0.941 416 T CB 0.175 69.060 68.868 0.028 0.000 1.141 416 T HN 0.448 nan 8.240 nan 0.000 0.500 417 S N 1.034 116.758 115.700 0.040 0.000 2.538 417 S HA 0.802 5.269 4.470 -0.004 0.000 0.288 417 S C -1.789 172.863 174.600 0.087 0.000 1.108 417 S CA -0.730 57.509 58.200 0.065 0.000 0.971 417 S CB 2.224 65.306 63.200 -0.196 0.000 1.041 417 S HN 0.415 nan 8.310 nan 0.000 0.483 418 L N 2.929 124.285 121.223 0.222 0.000 2.470 418 L HA 0.658 4.996 4.340 -0.004 0.000 0.268 418 L C -1.892 175.102 176.870 0.208 0.000 0.964 418 L CA -0.244 54.679 54.840 0.138 0.000 0.839 418 L CB 1.927 44.023 42.059 0.062 0.000 1.276 418 L HN 0.598 nan 8.230 nan 0.000 0.403 419 D N 5.231 125.724 120.400 0.155 0.000 2.425 419 D HA 0.429 5.066 4.640 -0.004 0.000 0.240 419 D C 0.030 176.399 176.300 0.116 0.000 1.080 419 D CA -0.250 53.851 54.000 0.169 0.000 0.836 419 D CB 1.135 42.039 40.800 0.174 0.000 1.125 419 D HN 0.603 nan 8.370 nan 0.000 0.525 420 I N 1.011 121.663 120.570 0.137 0.000 3.621 420 I HA 0.255 4.423 4.170 -0.004 0.000 0.325 420 I C 0.326 176.584 176.117 0.235 0.000 1.554 420 I CA -0.691 60.740 61.300 0.217 0.000 1.053 420 I CB 0.201 38.418 38.000 0.362 0.000 1.302 420 I HN 0.138 nan 8.210 nan 0.000 0.518 421 S N 1.149 116.927 115.700 0.129 0.000 2.587 421 S HA 0.314 4.781 4.470 -0.004 0.000 0.260 421 S C 0.934 175.551 174.600 0.029 0.000 1.353 421 S CA -0.141 58.110 58.200 0.086 0.000 0.995 421 S CB 0.562 63.786 63.200 0.040 0.000 0.912 421 S HN 0.643 nan 8.310 nan 0.000 0.568 422 R N -0.585 119.911 120.500 -0.007 0.000 3.863 422 R HA -0.194 4.143 4.340 -0.004 0.000 0.313 422 R C -0.998 175.223 176.300 -0.132 0.000 1.202 422 R CA 1.064 57.129 56.100 -0.058 0.000 0.852 422 R CB -2.421 27.849 30.300 -0.049 0.000 1.292 422 R HN 0.776 nan 8.270 nan 0.000 0.519 423 N N -0.273 118.297 118.700 -0.216 0.000 2.361 423 N HA 0.179 4.917 4.740 -0.004 0.000 0.302 423 N C -0.293 174.852 175.510 -0.609 0.000 1.074 423 N CA -0.339 52.422 53.050 -0.483 0.000 0.850 423 N CB 1.572 39.588 38.487 -0.784 0.000 1.228 423 N HN 0.116 nan 8.380 nan 0.000 0.491 424 T N 0.559 114.818 114.554 -0.491 0.000 2.863 424 T HA 0.354 4.701 4.350 -0.004 0.000 0.299 424 T C -0.436 174.005 174.700 -0.433 0.000 0.973 424 T CA -0.430 61.468 62.100 -0.338 0.000 0.994 424 T CB -0.898 67.865 68.868 -0.176 0.000 0.961 424 T HN 0.193 nan 8.240 nan 0.000 0.552 425 F N 2.550 122.447 119.950 -0.088 0.000 2.380 425 F HA 0.441 4.964 4.527 -0.008 0.000 0.321 425 F C 1.556 177.276 175.800 -0.133 0.000 1.103 425 F CA -1.065 56.857 58.000 -0.130 0.000 1.067 425 F CB 0.917 39.908 39.000 -0.016 0.000 1.265 425 F HN 0.491 nan 8.300 nan 0.000 0.517 426 H N 0.084 119.318 119.070 0.273 0.000 2.509 426 H HA 0.267 4.821 4.556 -0.003 0.000 0.359 426 H C -2.134 173.272 175.328 0.131 0.000 1.253 426 H CA -2.134 54.003 56.048 0.149 0.000 1.373 426 H CB 0.188 30.015 29.762 0.109 0.000 1.555 426 H HN 0.173 nan 8.280 nan 0.000 0.586 427 P HA -0.031 nan 4.420 nan 0.000 0.262 427 P C 0.241 177.604 177.300 0.106 0.000 1.182 427 P CA 0.214 63.393 63.100 0.131 0.000 0.761 427 P CB 0.219 31.972 31.700 0.089 0.000 0.795 428 M N 4.728 124.373 119.600 0.074 0.000 2.238 428 M HA 0.412 4.890 4.480 -0.004 0.000 0.347 428 M C -2.144 174.174 176.300 0.030 0.000 1.173 428 M CA -1.571 53.757 55.300 0.046 0.000 1.147 428 M CB 0.130 32.754 32.600 0.041 0.000 1.547 428 M HN 0.136 nan 8.290 nan 0.000 0.455 429 P HA 0.110 nan 4.420 nan 0.000 0.288 429 P C -0.561 176.741 177.300 0.004 0.000 1.291 429 P CA -0.043 63.058 63.100 0.001 0.000 0.766 429 P CB 0.515 32.203 31.700 -0.019 0.000 1.242 430 D N -1.959 118.439 120.400 -0.003 0.000 2.350 430 D HA 0.090 4.727 4.640 -0.004 0.000 0.213 430 D C 0.424 176.726 176.300 0.004 0.000 1.031 430 D CA 0.829 54.829 54.000 0.000 0.000 0.861 430 D CB 0.408 41.205 40.800 -0.005 0.000 0.926 430 D HN 0.158 nan 8.370 nan 0.000 0.520 431 S N -0.630 115.065 115.700 -0.008 0.000 2.536 431 S HA 0.556 5.024 4.470 -0.004 0.000 0.271 431 S C -1.312 173.252 174.600 -0.059 0.000 1.134 431 S CA -0.563 57.628 58.200 -0.015 0.000 0.897 431 S CB 1.215 64.403 63.200 -0.021 0.000 1.094 431 S HN 0.078 nan 8.310 nan 0.000 0.473 432 c N 2.641 121.191 118.600 -0.083 0.000 3.241 432 c HA 0.668 5.235 4.570 -0.004 0.000 0.312 432 c C -1.458 172.449 174.090 -0.305 0.000 1.350 432 c CA -0.789 55.375 56.329 -0.274 0.000 1.415 432 c CB 2.288 44.544 42.510 -0.422 0.000 1.770 432 c HN 0.821 nan 8.230 nan 0.000 0.466 433 Q N 0.701 120.219 119.800 -0.469 0.000 2.333 433 Q HA 0.429 4.767 4.340 -0.004 0.000 0.268 433 Q C -1.523 174.227 176.000 -0.416 0.000 1.007 433 Q CA 0.146 55.777 55.803 -0.288 0.000 0.810 433 Q CB 1.913 30.542 28.738 -0.182 0.000 1.264 433 Q HN 0.757 nan 8.270 nan 0.000 0.452 434 W N 2.229 123.528 121.300 -0.001 0.000 2.882 434 W HA 0.447 5.108 4.660 0.002 0.000 0.345 434 W C -2.035 174.492 176.519 0.013 0.000 1.125 434 W CA -2.006 55.342 57.345 0.004 0.000 1.167 434 W CB 0.727 30.187 29.460 0.000 0.000 1.431 434 W HN 0.410 nan 8.180 nan 0.000 0.543 435 P HA -0.068 nan 4.420 nan 0.000 0.266 435 P C 0.620 178.013 177.300 0.156 0.000 1.195 435 P CA 0.379 63.588 63.100 0.181 0.000 0.768 435 P CB 0.787 32.584 31.700 0.162 0.000 0.838 436 E N 2.361 122.626 120.200 0.108 0.000 2.077 436 E HA -0.210 4.138 4.350 -0.004 0.000 0.193 436 E C 0.686 177.327 176.600 0.069 0.000 0.989 436 E CA 1.206 57.658 56.400 0.086 0.000 0.800 436 E CB 0.039 29.777 29.700 0.063 0.000 0.746 436 E HN 0.372 nan 8.360 nan 0.000 0.452 437 K N 0.193 120.631 120.400 0.062 0.000 2.522 437 K HA 0.071 4.388 4.320 -0.004 0.000 0.194 437 K C 0.409 177.037 176.600 0.047 0.000 1.026 437 K CA -0.222 56.094 56.287 0.049 0.000 1.119 437 K CB -0.055 32.471 32.500 0.043 0.000 0.856 437 K HN 0.229 nan 8.250 nan 0.000 0.513 438 M N 2.306 121.937 119.600 0.052 0.000 2.307 438 M HA -0.032 4.446 4.480 -0.004 0.000 0.346 438 M C 0.776 177.083 176.300 0.013 0.000 1.552 438 M CA 0.621 55.941 55.300 0.033 0.000 1.116 438 M CB 0.249 32.854 32.600 0.008 0.000 1.889 438 M HN 0.109 nan 8.290 nan 0.000 0.460 439 R N 4.237 124.763 120.500 0.044 0.000 2.509 439 R HA 0.269 4.606 4.340 -0.004 0.000 0.297 439 R C -0.813 175.548 176.300 0.102 0.000 0.951 439 R CA -0.320 55.808 56.100 0.047 0.000 1.103 439 R CB 0.455 30.788 30.300 0.055 0.000 1.283 439 R HN 0.533 nan 8.270 nan 0.000 0.534 440 F N 1.369 121.275 119.950 -0.074 0.000 2.585 440 F HA 0.536 5.052 4.527 -0.018 0.000 0.319 440 F C -2.006 173.725 175.800 -0.115 0.000 1.165 440 F CA -1.466 56.489 58.000 -0.074 0.000 0.949 440 F CB 2.134 41.109 39.000 -0.042 0.000 1.218 440 F HN -0.057 nan 8.300 nan 0.000 0.453 441 L N 7.041 127.993 121.223 -0.451 0.000 2.439 441 L HA 0.510 4.847 4.340 -0.004 0.000 0.270 441 L C -1.770 174.803 176.870 -0.496 0.000 0.972 441 L CA -0.346 54.269 54.840 -0.375 0.000 0.836 441 L CB 1.534 43.338 42.059 -0.424 0.000 1.255 441 L HN 0.667 nan 8.230 nan 0.000 0.404 442 N N 5.642 124.166 118.700 -0.292 0.000 2.469 442 N HA 0.373 5.110 4.740 -0.004 0.000 0.253 442 N C -0.634 174.828 175.510 -0.081 0.000 0.970 442 N CA -0.244 52.681 53.050 -0.208 0.000 0.940 442 N CB 1.054 39.536 38.487 -0.008 0.000 1.128 442 N HN 0.798 nan 8.380 nan 0.000 0.503 443 L N 1.546 122.711 121.223 -0.096 0.000 3.110 443 L HA 0.230 4.568 4.340 -0.004 0.000 0.266 443 L C 0.931 177.792 176.870 -0.016 0.000 1.257 443 L CA -0.271 54.562 54.840 -0.013 0.000 1.038 443 L CB 0.166 42.203 42.059 -0.036 0.000 1.395 443 L HN 0.367 nan 8.230 nan 0.000 0.566 444 S N -0.223 115.441 115.700 -0.060 0.000 2.579 444 S HA 0.066 4.533 4.470 -0.004 0.000 0.275 444 S C 1.105 175.677 174.600 -0.046 0.000 1.345 444 S CA 0.039 58.175 58.200 -0.106 0.000 1.031 444 S CB 0.467 63.583 63.200 -0.140 0.000 0.892 444 S HN 0.466 nan 8.310 nan 0.000 0.529 445 S N 1.638 117.298 115.700 -0.067 0.000 3.491 445 S HA -0.152 4.316 4.470 -0.004 0.000 0.371 445 S C 0.860 175.455 174.600 -0.010 0.000 0.980 445 S CA 1.066 59.243 58.200 -0.040 0.000 1.204 445 S CB -2.304 60.871 63.200 -0.042 0.000 0.915 445 S HN 1.075 nan 8.310 nan 0.000 0.482 446 T N -3.038 111.535 114.554 0.032 0.000 3.092 446 T HA 0.507 4.855 4.350 -0.004 0.000 0.258 446 T C 1.563 176.306 174.700 0.071 0.000 1.031 446 T CA 0.748 62.897 62.100 0.081 0.000 0.925 446 T CB 0.532 69.580 68.868 0.300 0.000 1.036 446 T HN 1.668 nan 8.240 nan 0.000 0.544 447 G N 2.655 111.477 108.800 0.038 0.000 2.189 447 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.267 447 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.267 447 G C 0.239 175.176 174.900 0.061 0.000 0.975 447 G CA 0.301 45.423 45.100 0.037 0.000 0.644 447 G HN 1.105 nan 8.290 nan 0.000 0.537 448 I N -2.425 118.197 120.570 0.086 0.000 2.813 448 I HA 0.482 4.650 4.170 -0.004 0.000 0.287 448 I C 1.271 177.425 176.117 0.061 0.000 1.196 448 I CA -0.031 61.322 61.300 0.087 0.000 1.421 448 I CB 0.417 38.474 38.000 0.095 0.000 1.365 448 I HN -0.003 nan 8.210 nan 0.000 0.591 449 R N 3.188 123.723 120.500 0.058 0.000 2.373 449 R HA 0.448 4.786 4.340 -0.004 0.000 0.221 449 R C -0.677 175.650 176.300 0.044 0.000 0.893 449 R CA -0.007 56.121 56.100 0.046 0.000 1.049 449 R CB 1.094 31.418 30.300 0.040 0.000 1.119 449 R HN 0.591 nan 8.270 nan 0.000 0.535 450 V N 1.134 121.074 119.914 0.044 0.000 2.971 450 V HA 0.308 4.425 4.120 -0.004 0.000 0.309 450 V C -0.873 175.234 176.094 0.022 0.000 1.130 450 V CA -1.095 61.223 62.300 0.029 0.000 0.964 450 V CB 2.579 34.413 31.823 0.018 0.000 1.029 450 V HN -0.093 nan 8.190 nan 0.000 0.427 451 V N 1.158 121.064 119.914 -0.013 0.000 2.384 451 V HA 0.712 4.829 4.120 -0.004 0.000 0.287 451 V C -0.364 175.674 176.094 -0.094 0.000 1.020 451 V CA -0.626 61.646 62.300 -0.047 0.000 0.850 451 V CB 1.135 32.897 31.823 -0.102 0.000 0.987 451 V HN 0.856 nan 8.190 nan 0.000 0.436 452 K N 2.210 122.581 120.400 -0.048 0.000 2.307 452 K HA 0.512 4.829 4.320 -0.004 0.000 0.239 452 K C 1.041 177.623 176.600 -0.030 0.000 1.083 452 K CA -0.158 56.103 56.287 -0.044 0.000 0.913 452 K CB 1.505 33.997 32.500 -0.012 0.000 1.322 452 K HN 0.753 nan 8.250 nan 0.000 0.514 453 T N -2.405 112.142 114.554 -0.011 0.000 3.227 453 T HA -0.090 4.258 4.350 -0.004 0.000 0.257 453 T C 1.763 176.500 174.700 0.061 0.000 1.162 453 T CA 0.271 62.378 62.100 0.013 0.000 1.051 453 T CB -0.935 67.941 68.868 0.013 0.000 0.953 453 T HN 0.616 nan 8.240 nan 0.000 0.535 454 c N 0.880 119.529 118.600 0.081 0.000 2.432 454 c HA 0.290 4.858 4.570 -0.004 0.000 0.282 454 c C 1.081 175.374 174.090 0.339 0.000 1.388 454 c CA -0.570 55.858 56.329 0.165 0.000 1.777 454 c CB -1.365 41.227 42.510 0.137 0.000 1.882 454 c HN 0.640 nan 8.230 nan 0.000 0.520 455 I N 3.979 124.654 120.570 0.176 0.000 2.379 455 I HA 0.235 4.403 4.170 -0.004 0.000 0.290 455 I C -1.667 174.481 176.117 0.052 0.000 1.063 455 I CA -1.568 59.774 61.300 0.069 0.000 1.351 455 I CB 0.754 38.754 38.000 -0.001 0.000 1.410 455 I HN 0.253 nan 8.210 nan 0.000 0.505 456 P HA -0.003 nan 4.420 nan 0.000 0.268 456 P C -0.281 177.010 177.300 -0.014 0.000 1.205 456 P CA -0.138 62.986 63.100 0.040 0.000 0.771 456 P CB 0.750 32.481 31.700 0.053 0.000 0.858 457 Q N 0.952 120.747 119.800 -0.008 0.000 2.436 457 Q HA -0.060 4.278 4.340 -0.004 0.000 0.209 457 Q C 1.668 177.634 176.000 -0.056 0.000 0.965 457 Q CA 1.650 57.418 55.803 -0.057 0.000 0.910 457 Q CB -0.492 28.214 28.738 -0.054 0.000 0.980 457 Q HN 0.659 nan 8.270 nan 0.000 0.491 458 T N -1.741 112.799 114.554 -0.024 0.000 3.072 458 T HA 0.004 4.351 4.350 -0.004 0.000 0.266 458 T C 0.804 175.489 174.700 -0.026 0.000 1.127 458 T CA -0.150 61.941 62.100 -0.016 0.000 1.107 458 T CB -0.064 68.809 68.868 0.009 0.000 0.910 458 T HN -0.078 nan 8.240 nan 0.000 0.513 459 L N 1.818 123.013 121.223 -0.047 0.000 2.506 459 L HA 0.215 4.552 4.340 -0.004 0.000 0.281 459 L C 1.308 178.159 176.870 -0.031 0.000 1.228 459 L CA 0.806 55.613 54.840 -0.054 0.000 0.850 459 L CB 0.384 42.391 42.059 -0.087 0.000 1.110 459 L HN 0.244 nan 8.230 nan 0.000 0.496 460 E N 0.929 121.119 120.200 -0.017 0.000 2.391 460 E HA 0.197 4.544 4.350 -0.004 0.000 0.206 460 E C -0.834 175.759 176.600 -0.011 0.000 0.851 460 E CA 0.126 56.528 56.400 0.003 0.000 1.059 460 E CB 0.939 30.659 29.700 0.032 0.000 1.065 460 E HN 0.338 nan 8.360 nan 0.000 0.512 461 V N 2.114 122.003 119.914 -0.042 0.000 2.638 461 V HA 0.395 4.513 4.120 -0.004 0.000 0.306 461 V C -1.237 174.685 176.094 -0.287 0.000 1.052 461 V CA -0.887 61.341 62.300 -0.120 0.000 0.885 461 V CB 2.125 33.934 31.823 -0.024 0.000 0.999 461 V HN 0.053 nan 8.190 nan 0.000 0.424 462 L N 3.750 124.820 121.223 -0.256 0.000 2.438 462 L HA 0.761 5.098 4.340 -0.004 0.000 0.270 462 L C -1.340 175.389 176.870 -0.235 0.000 0.972 462 L CA -0.012 54.667 54.840 -0.268 0.000 0.831 462 L CB 2.054 44.032 42.059 -0.135 0.000 1.273 462 L HN 0.695 nan 8.230 nan 0.000 0.405 463 D N 3.968 124.212 120.400 -0.260 0.000 2.454 463 D HA 0.346 4.984 4.640 -0.004 0.000 0.247 463 D C -0.160 176.016 176.300 -0.207 0.000 1.129 463 D CA -0.136 53.752 54.000 -0.187 0.000 0.877 463 D CB 1.500 42.218 40.800 -0.138 0.000 1.082 463 D HN 0.396 nan 8.370 nan 0.000 0.537 464 V N 1.805 121.597 119.914 -0.203 0.000 2.940 464 V HA 0.338 4.455 4.120 -0.004 0.000 0.366 464 V C 0.549 176.510 176.094 -0.222 0.000 1.353 464 V CA -0.508 61.707 62.300 -0.143 0.000 1.232 464 V CB -0.606 31.206 31.823 -0.017 0.000 1.278 464 V HN 0.411 nan 8.190 nan 0.000 0.546 465 S N 0.139 115.577 115.700 -0.436 0.000 2.592 465 S HA 0.434 4.902 4.470 -0.004 0.000 0.271 465 S C 0.514 174.895 174.600 -0.365 0.000 1.326 465 S CA 0.478 58.330 58.200 -0.580 0.000 1.024 465 S CB 0.532 62.843 63.200 -1.482 0.000 0.921 465 S HN 1.149 nan 8.310 nan 0.000 0.527 466 N N 0.824 119.373 118.700 -0.251 0.000 2.771 466 N HA -0.179 4.559 4.740 -0.004 0.000 0.249 466 N C -0.585 174.872 175.510 -0.089 0.000 1.069 466 N CA 1.165 54.129 53.050 -0.143 0.000 0.688 466 N CB -1.818 36.583 38.487 -0.143 0.000 0.928 466 N HN 0.853 nan 8.380 nan 0.000 0.551 467 N N -0.575 118.085 118.700 -0.067 0.000 3.357 467 N HA 0.394 5.132 4.740 -0.004 0.000 0.359 467 N C -0.488 175.017 175.510 -0.008 0.000 1.477 467 N CA -0.788 52.247 53.050 -0.025 0.000 0.645 467 N CB 0.569 39.050 38.487 -0.010 0.000 1.703 467 N HN 0.237 nan 8.380 nan 0.000 0.597 468 N N 0.079 118.787 118.700 0.012 0.000 2.571 468 N HA 0.314 5.052 4.740 -0.004 0.000 0.298 468 N C -1.444 174.082 175.510 0.027 0.000 1.671 468 N CA -0.061 52.999 53.050 0.017 0.000 0.900 468 N CB 0.450 38.950 38.487 0.021 0.000 1.365 468 N HN 0.214 nan 8.380 nan 0.000 0.493 469 L N -0.253 120.990 121.223 0.033 0.000 2.375 469 L HA 0.344 4.681 4.340 -0.004 0.000 0.271 469 L C 0.402 177.301 176.870 0.049 0.000 1.107 469 L CA -0.132 54.741 54.840 0.054 0.000 0.806 469 L CB 1.190 43.304 42.059 0.092 0.000 1.146 469 L HN 0.097 nan 8.230 nan 0.000 0.447 470 D N -0.623 119.808 120.400 0.052 0.000 2.423 470 D HA 0.048 4.686 4.640 -0.004 0.000 0.212 470 D C 0.107 176.444 176.300 0.062 0.000 1.060 470 D CA 0.386 54.412 54.000 0.043 0.000 0.872 470 D CB 0.728 41.545 40.800 0.030 0.000 1.012 470 D HN 0.567 nan 8.370 nan 0.000 0.503 471 S N -1.078 114.675 115.700 0.089 0.000 2.567 471 S HA 0.518 4.985 4.470 -0.004 0.000 0.270 471 S C -1.751 172.964 174.600 0.191 0.000 1.152 471 S CA -0.996 57.277 58.200 0.122 0.000 0.835 471 S CB 1.027 64.271 63.200 0.073 0.000 1.115 471 S HN -0.026 nan 8.310 nan 0.000 0.459 472 F N 1.543 121.533 119.950 0.067 0.000 2.499 472 F HA 0.679 5.206 4.527 0.000 0.000 0.333 472 F C 0.439 176.288 175.800 0.081 0.000 1.138 472 F CA -0.305 57.749 58.000 0.091 0.000 0.945 472 F CB 2.301 41.392 39.000 0.151 0.000 1.181 472 F HN 0.681 nan 8.300 nan 0.000 0.435 473 S N 4.869 120.415 115.700 -0.257 0.000 2.780 473 S HA 0.234 4.701 4.470 -0.004 0.000 0.248 473 S C -0.485 173.979 174.600 -0.226 0.000 1.036 473 S CA -0.249 57.860 58.200 -0.151 0.000 1.061 473 S CB 0.026 63.165 63.200 -0.101 0.000 1.037 473 S HN 0.317 nan 8.310 nan 0.000 0.584 474 L N 2.778 123.693 121.223 -0.513 0.000 2.361 474 L HA 0.365 4.702 4.340 -0.004 0.000 0.278 474 L C -0.388 176.466 176.870 -0.028 0.000 1.113 474 L CA -0.151 54.501 54.840 -0.314 0.000 0.849 474 L CB -0.405 41.337 42.059 -0.528 0.000 1.155 474 L HN 0.328 nan 8.230 nan 0.000 0.452 475 F N 6.209 126.089 119.950 -0.116 0.000 2.413 475 F HA 0.466 4.991 4.527 -0.002 0.000 0.359 475 F C -0.604 175.188 175.800 -0.012 0.000 1.122 475 F CA -0.497 57.446 58.000 -0.096 0.000 1.160 475 F CB 0.245 39.188 39.000 -0.095 0.000 1.146 475 F HN 0.260 nan 8.300 nan 0.000 0.514 476 L N 9.733 130.662 121.223 -0.491 0.000 2.384 476 L HA 0.329 4.666 4.340 -0.004 0.000 0.261 476 L C -1.642 174.913 176.870 -0.525 0.000 1.024 476 L CA -1.649 52.935 54.840 -0.426 0.000 0.899 476 L CB 1.397 43.438 42.059 -0.029 0.000 1.243 476 L HN 0.483 nan 8.230 nan 0.000 0.449 477 P HA -0.134 nan 4.420 nan 0.000 0.222 477 P C 0.932 178.157 177.300 -0.125 0.000 1.147 477 P CA 1.171 64.016 63.100 -0.426 0.000 0.790 477 P CB 0.291 31.791 31.700 -0.333 0.000 0.780 478 R N -1.321 119.115 120.500 -0.108 0.000 2.362 478 R HA 0.184 4.521 4.340 -0.004 0.000 0.227 478 R C 0.611 176.910 176.300 -0.001 0.000 0.905 478 R CA -0.662 55.419 56.100 -0.030 0.000 1.067 478 R CB -0.265 30.018 30.300 -0.027 0.000 1.078 478 R HN 0.109 nan 8.270 nan 0.000 0.516 479 L N 2.077 123.305 121.223 0.009 0.000 2.584 479 L HA -0.089 4.248 4.340 -0.004 0.000 0.272 479 L C 0.797 177.694 176.870 0.045 0.000 1.195 479 L CA 1.091 55.955 54.840 0.040 0.000 0.920 479 L CB 0.638 42.765 42.059 0.114 0.000 1.173 479 L HN 0.143 nan 8.230 nan 0.000 0.489 480 Q N 2.952 122.763 119.800 0.017 0.000 2.378 480 Q HA 0.199 4.537 4.340 -0.004 0.000 0.229 480 Q C -0.147 175.845 176.000 -0.013 0.000 0.882 480 Q CA 0.240 56.053 55.803 0.017 0.000 0.936 480 Q CB 0.894 29.646 28.738 0.024 0.000 1.092 480 Q HN 0.725 nan 8.270 nan 0.000 0.535 481 E N 0.779 120.952 120.200 -0.045 0.000 2.291 481 E HA 0.417 4.764 4.350 -0.004 0.000 0.276 481 E C -2.069 174.442 176.600 -0.147 0.000 0.896 481 E CA -0.581 55.766 56.400 -0.088 0.000 0.774 481 E CB 1.777 31.441 29.700 -0.059 0.000 1.227 481 E HN -0.013 nan 8.360 nan 0.000 0.413 482 L N 5.300 126.393 121.223 -0.217 0.000 2.381 482 L HA 0.469 4.806 4.340 -0.004 0.000 0.274 482 L C -2.007 174.751 176.870 -0.187 0.000 0.988 482 L CA -0.515 54.160 54.840 -0.275 0.000 0.824 482 L CB 1.566 43.317 42.059 -0.513 0.000 1.263 482 L HN 0.672 nan 8.230 nan 0.000 0.410 483 Y N 6.529 126.642 120.300 -0.312 0.000 2.345 483 Y HA 0.470 5.020 4.550 0.001 0.000 0.331 483 Y C 0.025 175.770 175.900 -0.258 0.000 0.959 483 Y CA -0.708 57.219 58.100 -0.287 0.000 1.204 483 Y CB 1.552 39.850 38.460 -0.270 0.000 1.135 483 Y HN 0.726 nan 8.280 nan 0.000 0.477 484 I N 3.957 124.514 120.570 -0.022 0.000 3.966 484 I HA 0.154 4.322 4.170 -0.004 0.000 0.324 484 I C -0.096 175.958 176.117 -0.105 0.000 1.517 484 I CA 0.120 61.328 61.300 -0.154 0.000 1.117 484 I CB 0.167 38.050 38.000 -0.194 0.000 1.190 484 I HN 0.416 nan 8.210 nan 0.000 0.466 485 S N 0.945 116.614 115.700 -0.050 0.000 2.587 485 S HA 0.201 4.668 4.470 -0.004 0.000 0.260 485 S C 0.390 174.936 174.600 -0.090 0.000 1.353 485 S CA -0.074 58.122 58.200 -0.005 0.000 0.995 485 S CB 0.326 63.636 63.200 0.183 0.000 0.912 485 S HN 0.463 nan 8.310 nan 0.000 0.568 486 R N 0.847 121.330 120.500 -0.029 0.000 3.146 486 R HA -0.194 4.143 4.340 -0.004 0.000 0.250 486 R C -0.775 175.497 176.300 -0.047 0.000 0.912 486 R CA 0.382 56.461 56.100 -0.034 0.000 0.633 486 R CB -1.967 28.302 30.300 -0.051 0.000 1.180 486 R HN 0.609 nan 8.270 nan 0.000 0.464 487 N N -0.683 117.999 118.700 -0.030 0.000 3.550 487 N HA 0.409 5.146 4.740 -0.004 0.000 0.345 487 N C -0.572 174.931 175.510 -0.012 0.000 1.647 487 N CA -0.941 52.097 53.050 -0.020 0.000 0.737 487 N CB 0.655 39.132 38.487 -0.015 0.000 2.178 487 N HN -0.010 nan 8.380 nan 0.000 0.638 488 K N 0.205 120.603 120.400 -0.003 0.000 2.676 488 K HA 0.423 4.740 4.320 -0.004 0.000 0.205 488 K C -1.192 175.406 176.600 -0.002 0.000 1.084 488 K CA -0.254 56.029 56.287 -0.007 0.000 1.057 488 K CB 0.216 32.714 32.500 -0.002 0.000 0.791 488 K HN 0.225 nan 8.250 nan 0.000 0.484 489 L N 1.459 122.686 121.223 0.007 0.000 2.559 489 L HA -0.001 4.337 4.340 -0.004 0.000 0.274 489 L C 1.177 178.044 176.870 -0.006 0.000 1.205 489 L CA 0.950 55.803 54.840 0.022 0.000 0.907 489 L CB 0.382 42.469 42.059 0.045 0.000 1.153 489 L HN 0.140 nan 8.230 nan 0.000 0.490 490 K N 0.720 121.121 120.400 0.001 0.000 2.354 490 K HA 0.182 4.499 4.320 -0.004 0.000 0.194 490 K C -0.199 176.400 176.600 -0.002 0.000 1.038 490 K CA 0.289 56.566 56.287 -0.018 0.000 1.052 490 K CB 0.474 32.967 32.500 -0.012 0.000 0.861 490 K HN 0.642 nan 8.250 nan 0.000 0.535 491 T N 1.124 115.694 114.554 0.026 0.000 2.879 491 T HA 0.232 4.579 4.350 -0.004 0.000 0.290 491 T C -1.084 173.663 174.700 0.077 0.000 0.993 491 T CA -0.742 61.385 62.100 0.045 0.000 0.975 491 T CB 1.827 70.721 68.868 0.043 0.000 0.981 491 T HN -0.071 nan 8.240 nan 0.000 0.439 492 L N 6.458 127.736 121.223 0.092 0.000 2.499 492 L HA 0.325 4.663 4.340 -0.004 0.000 0.273 492 L C -1.870 175.086 176.870 0.144 0.000 1.195 492 L CA -1.163 53.755 54.840 0.130 0.000 0.882 492 L CB 0.016 42.155 42.059 0.132 0.000 1.133 492 L HN 0.360 nan 8.230 nan 0.000 0.483 493 P HA 0.005 nan 4.420 nan 0.000 0.267 493 P C -0.911 176.546 177.300 0.262 0.000 1.209 493 P CA -0.313 62.966 63.100 0.299 0.000 0.763 493 P CB 0.424 32.439 31.700 0.524 0.000 0.816 494 D N 2.895 123.371 120.400 0.127 0.000 2.586 494 D HA -0.011 4.626 4.640 -0.004 0.000 0.234 494 D C 1.504 177.830 176.300 0.042 0.000 1.132 494 D CA 0.438 54.465 54.000 0.044 0.000 0.860 494 D CB 0.609 41.398 40.800 -0.017 0.000 1.159 494 D HN 0.365 nan 8.370 nan 0.000 0.490 495 A N 3.386 126.251 122.820 0.075 0.000 1.997 495 A HA -0.237 4.080 4.320 -0.004 0.000 0.221 495 A C 2.165 179.790 177.584 0.069 0.000 1.172 495 A CA 2.197 54.318 52.037 0.140 0.000 0.645 495 A CB -0.835 18.208 19.000 0.073 0.000 0.813 495 A HN 0.695 nan 8.150 nan 0.000 0.454 496 S N -0.350 115.341 115.700 -0.016 0.000 2.507 496 S HA 0.003 4.470 4.470 -0.004 0.000 0.235 496 S C 1.647 176.228 174.600 -0.032 0.000 0.988 496 S CA 1.143 59.330 58.200 -0.021 0.000 0.944 496 S CB -0.610 62.554 63.200 -0.059 0.000 0.762 496 S HN 0.493 nan 8.310 nan 0.000 0.526 497 L N -0.455 120.618 121.223 -0.250 0.000 2.156 497 L HA 0.131 4.469 4.340 -0.004 0.000 0.208 497 L C 0.078 176.702 176.870 -0.411 0.000 1.095 497 L CA 0.814 55.424 54.840 -0.383 0.000 0.770 497 L CB -0.262 41.215 42.059 -0.968 0.000 0.914 497 L HN 0.373 nan 8.230 nan 0.000 0.439 498 F N -1.116 118.948 119.950 0.190 0.000 2.449 498 F HA 0.346 4.874 4.527 0.002 0.000 0.344 498 F C -1.523 174.343 175.800 0.110 0.000 1.180 498 F CA -2.430 55.636 58.000 0.110 0.000 1.209 498 F CB -0.352 38.693 39.000 0.075 0.000 1.440 498 F HN -0.196 nan 8.300 nan 0.000 0.526 499 P HA -0.196 nan 4.420 nan 0.000 0.216 499 P C 0.917 178.312 177.300 0.158 0.000 1.150 499 P CA 1.592 64.802 63.100 0.183 0.000 0.843 499 P CB 0.246 32.053 31.700 0.178 0.000 0.787 500 V N -3.754 116.248 119.914 0.147 0.000 2.887 500 V HA 0.346 4.463 4.120 -0.004 0.000 0.370 500 V C 0.242 176.400 176.094 0.107 0.000 1.322 500 V CA -1.185 61.183 62.300 0.113 0.000 1.267 500 V CB -0.648 31.224 31.823 0.082 0.000 1.344 500 V HN -0.185 nan 8.190 nan 0.000 0.573 501 L N 1.343 122.649 121.223 0.138 0.000 2.453 501 L HA 0.360 4.698 4.340 -0.004 0.000 0.272 501 L C 0.947 177.856 176.870 0.065 0.000 1.182 501 L CA 0.713 55.605 54.840 0.086 0.000 0.858 501 L CB 0.923 43.021 42.059 0.065 0.000 1.120 501 L HN 0.386 nan 8.230 nan 0.000 0.474 502 L N 4.362 125.609 121.223 0.040 0.000 2.500 502 L HA 0.296 4.633 4.340 -0.004 0.000 0.219 502 L C -0.198 176.701 176.870 0.048 0.000 1.057 502 L CA -0.009 54.859 54.840 0.047 0.000 0.854 502 L CB 0.096 42.179 42.059 0.041 0.000 1.078 502 L HN 0.321 nan 8.230 nan 0.000 0.480 503 V N 1.103 121.032 119.914 0.025 0.000 2.686 503 V HA 0.423 4.540 4.120 -0.004 0.000 0.306 503 V C -0.751 175.330 176.094 -0.021 0.000 1.065 503 V CA -0.312 62.019 62.300 0.052 0.000 0.894 503 V CB 2.650 34.515 31.823 0.070 0.000 1.004 503 V HN 0.149 nan 8.190 nan 0.000 0.424 504 M N 4.934 124.551 119.600 0.030 0.000 2.327 504 M HA 0.593 5.071 4.480 -0.004 0.000 0.298 504 M C -1.459 174.878 176.300 0.063 0.000 1.065 504 M CA -0.552 54.716 55.300 -0.053 0.000 0.916 504 M CB 1.879 34.428 32.600 -0.085 0.000 1.630 504 M HN 0.562 nan 8.290 nan 0.000 0.442 505 K N 6.304 126.673 120.400 -0.051 0.000 2.527 505 K HA 0.417 4.735 4.320 -0.004 0.000 0.240 505 K C -0.623 176.003 176.600 0.043 0.000 0.989 505 K CA -0.174 56.080 56.287 -0.055 0.000 0.985 505 K CB 1.452 33.650 32.500 -0.504 0.000 1.221 505 K HN 0.749 nan 8.250 nan 0.000 0.458 506 I N 2.260 122.880 120.570 0.083 0.000 3.158 506 I HA 0.032 4.200 4.170 -0.004 0.000 0.344 506 I C 0.024 176.190 176.117 0.081 0.000 1.459 506 I CA -0.148 61.196 61.300 0.073 0.000 0.956 506 I CB 0.233 38.288 38.000 0.090 0.000 1.793 506 I HN 0.490 nan 8.210 nan 0.000 0.522 507 S N 1.129 116.853 115.700 0.040 0.000 2.681 507 S HA 0.473 4.941 4.470 -0.004 0.000 0.270 507 S C 0.637 175.253 174.600 0.027 0.000 1.209 507 S CA -0.416 57.768 58.200 -0.025 0.000 0.988 507 S CB 0.888 63.895 63.200 -0.322 0.000 1.006 507 S HN 0.549 nan 8.310 nan 0.000 0.558 508 R N 0.817 121.353 120.500 0.060 0.000 3.188 508 R HA -0.179 4.159 4.340 -0.004 0.000 0.247 508 R C -0.790 175.513 176.300 0.006 0.000 0.918 508 R CA 0.667 56.801 56.100 0.056 0.000 0.629 508 R CB -2.436 27.912 30.300 0.079 0.000 1.087 508 R HN 0.743 nan 8.270 nan 0.000 0.462 509 N N -0.678 118.004 118.700 -0.029 0.000 3.427 509 N HA 0.291 5.029 4.740 -0.004 0.000 0.364 509 N C 0.152 175.605 175.510 -0.095 0.000 1.538 509 N CA -0.731 52.289 53.050 -0.050 0.000 0.662 509 N CB 0.488 38.949 38.487 -0.043 0.000 1.881 509 N HN 0.038 nan 8.380 nan 0.000 0.634 510 Q N 0.374 120.106 119.800 -0.113 0.000 2.135 510 Q HA 0.359 4.697 4.340 -0.004 0.000 0.222 510 Q C -0.825 175.048 176.000 -0.210 0.000 0.808 510 Q CA -0.165 55.555 55.803 -0.139 0.000 1.049 510 Q CB 0.191 28.881 28.738 -0.079 0.000 1.168 510 Q HN 0.459 nan 8.270 nan 0.000 0.483 511 L N 1.070 122.111 121.223 -0.304 0.000 2.559 511 L HA -0.014 4.323 4.340 -0.004 0.000 0.274 511 L C 1.346 177.849 176.870 -0.613 0.000 1.205 511 L CA 0.598 55.195 54.840 -0.405 0.000 0.907 511 L CB 0.312 42.082 42.059 -0.481 0.000 1.153 511 L HN -0.064 nan 8.230 nan 0.000 0.490 512 K N 1.103 121.331 120.400 -0.286 0.000 2.365 512 K HA 0.113 4.430 4.320 -0.004 0.000 0.195 512 K C 0.321 176.998 176.600 0.128 0.000 1.079 512 K CA 0.314 56.515 56.287 -0.143 0.000 0.979 512 K CB 0.687 33.162 32.500 -0.042 0.000 0.929 512 K HN 0.793 nan 8.250 nan 0.000 0.523 513 S N -0.596 115.224 115.700 0.200 0.000 2.615 513 S HA 0.528 4.996 4.470 -0.004 0.000 0.269 513 S C -1.121 173.687 174.600 0.347 0.000 1.161 513 S CA -0.988 57.434 58.200 0.370 0.000 0.817 513 S CB 1.648 64.971 63.200 0.205 0.000 1.131 513 S HN -0.052 nan 8.310 nan 0.000 0.467 514 V N -1.756 118.325 119.914 0.278 0.000 2.709 514 V HA 0.793 4.910 4.120 -0.004 0.000 0.308 514 V C -3.191 172.915 176.094 0.019 0.000 1.062 514 V CA -2.314 60.055 62.300 0.115 0.000 0.901 514 V CB 0.700 32.534 31.823 0.018 0.000 1.003 514 V HN 0.799 nan 8.190 nan 0.000 0.425 515 P HA 0.127 nan 4.420 nan 0.000 0.262 515 P C -0.408 176.735 177.300 -0.261 0.000 1.182 515 P CA 0.299 63.324 63.100 -0.125 0.000 0.761 515 P CB 0.179 31.798 31.700 -0.135 0.000 0.795 516 D N 2.604 122.838 120.400 -0.278 0.000 2.583 516 D HA 0.074 4.712 4.640 -0.004 0.000 0.232 516 D C 1.636 177.423 176.300 -0.856 0.000 1.128 516 D CA 1.777 55.416 54.000 -0.601 0.000 0.859 516 D CB 0.172 40.779 40.800 -0.321 0.000 1.169 516 D HN 0.717 nan 8.370 nan 0.000 0.481 517 G N 2.385 110.122 108.800 -1.772 0.000 2.189 517 G HA2 -0.377 3.580 3.960 -0.004 0.000 0.267 517 G HA3 -0.377 3.580 3.960 -0.004 0.000 0.267 517 G C 1.070 175.701 174.900 -0.448 0.000 0.975 517 G CA 0.428 44.973 45.100 -0.925 0.000 0.644 517 G HN 0.605 nan 8.290 nan 0.000 0.537 518 I N -0.464 119.804 120.570 -0.504 0.000 2.264 518 I HA -0.060 4.108 4.170 -0.004 0.000 0.248 518 I C 2.409 178.327 176.117 -0.333 0.000 1.111 518 I CA 1.874 62.938 61.300 -0.393 0.000 1.382 518 I CB -0.132 37.568 38.000 -0.501 0.000 1.060 518 I HN 0.320 nan 8.210 nan 0.000 0.418 519 F N 0.264 120.111 119.950 -0.171 0.000 2.325 519 F HA -0.151 4.375 4.527 -0.002 0.000 0.299 519 F C 2.077 177.841 175.800 -0.060 0.000 1.090 519 F CA 0.510 58.283 58.000 -0.378 0.000 1.392 519 F CB -0.261 37.901 39.000 -1.397 0.000 1.053 519 F HN 0.092 nan 8.300 nan 0.000 0.521 520 D N 0.215 120.751 120.400 0.226 0.000 2.348 520 D HA -0.059 4.579 4.640 -0.004 0.000 0.216 520 D C 1.821 178.222 176.300 0.168 0.000 0.970 520 D CA 0.600 54.774 54.000 0.290 0.000 0.889 520 D CB -0.105 40.866 40.800 0.284 0.000 0.912 520 D HN 0.371 nan 8.370 nan 0.000 0.524 521 R N -0.091 120.470 120.500 0.101 0.000 2.300 521 R HA 0.074 4.411 4.340 -0.004 0.000 0.199 521 R C 0.067 176.440 176.300 0.121 0.000 0.920 521 R CA -0.106 56.041 56.100 0.078 0.000 1.046 521 R CB 0.528 30.840 30.300 0.020 0.000 0.984 521 R HN -0.047 nan 8.270 nan 0.000 0.493 522 L N 2.043 123.365 121.223 0.164 0.000 2.407 522 L HA 0.111 4.449 4.340 -0.004 0.000 0.261 522 L C 0.982 177.960 176.870 0.179 0.000 1.108 522 L CA 0.352 55.304 54.840 0.187 0.000 0.995 522 L CB 0.753 42.943 42.059 0.220 0.000 1.349 522 L HN 0.048 nan 8.230 nan 0.000 0.423 523 T N -3.869 110.773 114.554 0.147 0.000 3.228 523 T HA -0.016 4.331 4.350 -0.004 0.000 0.261 523 T C 1.238 176.005 174.700 0.111 0.000 1.171 523 T CA 0.751 62.927 62.100 0.128 0.000 1.056 523 T CB -0.010 68.919 68.868 0.103 0.000 0.938 523 T HN 0.358 nan 8.240 nan 0.000 0.539 524 S N -0.132 115.636 115.700 0.113 0.000 2.787 524 S HA 0.328 4.796 4.470 -0.004 0.000 0.255 524 S C 0.135 174.789 174.600 0.091 0.000 1.051 524 S CA -0.674 57.580 58.200 0.090 0.000 1.124 524 S CB 0.170 63.419 63.200 0.081 0.000 1.104 524 S HN 0.387 nan 8.310 nan 0.000 0.623 525 L N 3.026 124.319 121.223 0.117 0.000 2.628 525 L HA 0.064 4.402 4.340 -0.004 0.000 0.274 525 L C 0.850 177.775 176.870 0.093 0.000 1.209 525 L CA 1.273 56.183 54.840 0.116 0.000 0.930 525 L CB 0.340 42.500 42.059 0.168 0.000 1.183 525 L HN 0.188 nan 8.230 nan 0.000 0.492 526 Q N 3.283 123.121 119.800 0.063 0.000 2.422 526 Q HA 0.277 4.615 4.340 -0.004 0.000 0.255 526 Q C -0.349 175.649 176.000 -0.002 0.000 0.864 526 Q CA 0.296 56.117 55.803 0.029 0.000 0.968 526 Q CB 0.791 29.545 28.738 0.026 0.000 1.130 526 Q HN 0.569 nan 8.270 nan 0.000 0.556 527 K N 0.628 121.040 120.400 0.020 0.000 2.523 527 K HA 0.574 4.891 4.320 -0.004 0.000 0.257 527 K C -1.660 174.948 176.600 0.012 0.000 0.932 527 K CA -0.483 55.772 56.287 -0.053 0.000 0.812 527 K CB 2.946 35.442 32.500 -0.007 0.000 1.326 527 K HN -0.047 nan 8.250 nan 0.000 0.433 528 I N 1.410 121.892 120.570 -0.146 0.000 2.680 528 I HA 0.369 4.536 4.170 -0.004 0.000 0.291 528 I C -1.481 174.579 176.117 -0.095 0.000 1.244 528 I CA -0.560 60.746 61.300 0.010 0.000 1.042 528 I CB 1.384 39.338 38.000 -0.076 0.000 1.277 528 I HN 0.658 nan 8.210 nan 0.000 0.423 529 W N 8.278 129.510 121.300 -0.112 0.000 2.316 529 W HA 0.392 5.046 4.660 -0.010 0.000 0.308 529 W C -0.117 176.321 176.519 -0.135 0.000 1.106 529 W CA -0.477 56.784 57.345 -0.140 0.000 1.262 529 W CB 1.669 31.016 29.460 -0.187 0.000 1.233 529 W HN 0.513 nan 8.180 nan 0.000 0.447 530 L N 2.473 123.729 121.223 0.054 0.000 2.878 530 L HA 0.003 4.340 4.340 -0.004 0.000 0.253 530 L C 0.943 177.993 176.870 0.300 0.000 1.135 530 L CA -0.309 54.647 54.840 0.192 0.000 0.943 530 L CB -0.241 41.884 42.059 0.109 0.000 1.307 530 L HN 0.422 nan 8.230 nan 0.000 0.545 531 H N -1.058 118.185 119.070 0.288 0.000 2.830 531 H HA 0.049 4.599 4.556 -0.010 0.000 0.382 531 H C 0.398 175.873 175.328 0.245 0.000 1.423 531 H CA 0.165 56.375 56.048 0.269 0.000 1.464 531 H CB -0.413 29.451 29.762 0.171 0.000 1.495 531 H HN 0.051 nan 8.280 nan 0.000 0.617 532 T N -0.020 114.799 114.554 0.442 0.000 3.886 532 T HA -0.242 4.106 4.350 -0.004 0.000 0.371 532 T C -0.792 173.973 174.700 0.108 0.000 0.760 532 T CA 1.111 63.371 62.100 0.267 0.000 1.966 532 T CB -2.354 66.704 68.868 0.315 0.000 1.793 532 T HN 0.949 nan 8.240 nan 0.000 0.798 533 N N 0.965 119.686 118.700 0.036 0.000 2.242 533 N HA 0.486 5.223 4.740 -0.004 0.000 0.292 533 N C -2.830 172.419 175.510 -0.434 0.000 1.125 533 N CA -1.884 50.968 53.050 -0.329 0.000 0.783 533 N CB 2.228 40.295 38.487 -0.700 0.000 1.558 533 N HN -0.063 nan 8.380 nan 0.000 0.472 534 P HA 0.130 nan 4.420 nan 0.000 0.225 534 P C -1.111 176.047 177.300 -0.237 0.000 1.830 534 P CA -0.272 62.690 63.100 -0.231 0.000 1.051 534 P CB -0.539 31.074 31.700 -0.146 0.000 1.929 535 W N 1.542 122.876 121.300 0.056 0.000 2.308 535 W HA 0.094 4.749 4.660 -0.008 0.000 0.324 535 W C 1.011 177.560 176.519 0.050 0.000 1.387 535 W CA -0.246 57.134 57.345 0.059 0.000 1.250 535 W CB 0.352 29.852 29.460 0.067 0.000 1.257 535 W HN 0.254 nan 8.180 nan 0.000 0.554 536 D N 3.621 124.175 120.400 0.257 0.000 2.359 536 D HA 0.054 4.692 4.640 -0.004 0.000 0.250 536 D C 0.078 176.480 176.300 0.171 0.000 1.264 536 D CA -0.023 54.076 54.000 0.164 0.000 0.911 536 D CB 0.753 41.626 40.800 0.121 0.000 1.056 536 D HN 0.422 nan 8.370 nan 0.000 0.499 537 c N 3.020 121.705 118.600 0.141 0.000 2.578 537 c HA 0.062 4.629 4.570 -0.004 0.000 0.285 537 c C 1.230 175.368 174.090 0.080 0.000 1.297 537 c CA -0.411 55.985 56.329 0.112 0.000 1.690 537 c CB -2.030 40.539 42.510 0.099 0.000 1.773 537 c HN 0.619 nan 8.230 nan 0.000 0.594 538 S N -0.906 114.839 115.700 0.075 0.000 2.563 538 S HA -0.023 4.445 4.470 -0.004 0.000 0.284 538 S C 0.956 175.591 174.600 0.058 0.000 1.331 538 S CA -0.268 57.967 58.200 0.058 0.000 1.047 538 S CB 0.462 63.694 63.200 0.053 0.000 0.859 538 S HN 0.541 nan 8.310 nan 0.000 0.514 539 c N 3.325 121.954 118.600 0.047 0.000 2.432 539 c HA 0.105 4.673 4.570 -0.004 0.000 0.282 539 c C -0.336 173.783 174.090 0.049 0.000 1.388 539 c CA 0.325 56.681 56.329 0.046 0.000 1.777 539 c CB -1.790 40.742 42.510 0.037 0.000 1.882 539 c HN 0.821 nan 8.230 nan 0.000 0.520 540 P HA -0.073 nan 4.420 nan 0.000 0.214 540 P C 1.790 179.127 177.300 0.061 0.000 1.162 540 P CA 1.195 64.323 63.100 0.048 0.000 0.874 540 P CB -0.102 31.622 31.700 0.040 0.000 0.784 541 R N -0.541 120.000 120.500 0.068 0.000 2.109 541 R HA -0.108 4.230 4.340 -0.004 0.000 0.227 541 R C 1.960 178.324 176.300 0.107 0.000 1.132 541 R CA 1.346 57.498 56.100 0.087 0.000 0.907 541 R CB -1.310 29.046 30.300 0.093 0.000 0.825 541 R HN 0.033 nan 8.270 nan 0.000 0.432 542 I N 2.064 122.697 120.570 0.105 0.000 3.185 542 I HA -0.214 3.954 4.170 -0.004 0.000 0.286 542 I C 1.130 177.293 176.117 0.077 0.000 1.323 542 I CA 0.967 62.326 61.300 0.098 0.000 1.392 542 I CB -0.616 37.436 38.000 0.086 0.000 1.063 542 I HN 0.212 nan 8.210 nan 0.000 0.525 543 D N -0.156 120.300 120.400 0.093 0.000 2.095 543 D HA -0.320 4.317 4.640 -0.004 0.000 0.192 543 D C 2.065 178.428 176.300 0.105 0.000 0.990 543 D CA 1.813 55.866 54.000 0.089 0.000 0.836 543 D CB -0.339 40.519 40.800 0.096 0.000 0.979 543 D HN 0.440 nan 8.370 nan 0.000 0.447 544 Y N 0.709 121.044 120.300 0.059 0.000 2.081 544 Y HA -0.236 4.311 4.550 -0.004 0.000 0.280 544 Y C 2.124 178.104 175.900 0.134 0.000 1.163 544 Y CA 1.847 59.998 58.100 0.085 0.000 1.135 544 Y CB -0.918 37.574 38.460 0.052 0.000 0.970 544 Y HN 0.133 nan 8.280 nan 0.000 0.498 545 L N 0.644 121.780 121.223 -0.145 0.000 2.043 545 L HA -0.217 4.120 4.340 -0.004 0.000 0.212 545 L C 2.656 179.446 176.870 -0.133 0.000 1.075 545 L CA 2.520 57.244 54.840 -0.193 0.000 0.752 545 L CB -1.413 40.603 42.059 -0.071 0.000 0.891 545 L HN 0.541 nan 8.230 nan 0.000 0.432 546 S N -0.990 114.659 115.700 -0.086 0.000 2.371 546 S HA -0.182 4.285 4.470 -0.004 0.000 0.224 546 S C 2.151 176.707 174.600 -0.074 0.000 1.029 546 S CA 0.884 59.041 58.200 -0.072 0.000 0.978 546 S CB -0.611 62.566 63.200 -0.038 0.000 0.833 546 S HN 0.529 nan 8.310 nan 0.000 0.466 547 R N -0.661 119.800 120.500 -0.065 0.000 2.152 547 R HA -0.009 4.328 4.340 -0.004 0.000 0.232 547 R C 1.984 178.229 176.300 -0.091 0.000 1.117 547 R CA 1.444 57.510 56.100 -0.056 0.000 0.981 547 R CB -0.332 29.969 30.300 0.002 0.000 0.870 547 R HN 0.663 nan 8.270 nan 0.000 0.451 548 W N 0.809 121.912 121.300 -0.327 0.000 2.453 548 W HA -0.015 4.640 4.660 -0.008 0.000 0.289 548 W C 1.304 177.688 176.519 -0.226 0.000 1.215 548 W CA 0.888 58.048 57.345 -0.309 0.000 1.297 548 W CB -0.004 29.159 29.460 -0.496 0.000 1.113 548 W HN -0.066 nan 8.180 nan 0.000 0.551 549 L N 0.660 121.812 121.223 -0.118 0.000 2.275 549 L HA -0.162 4.176 4.340 -0.004 0.000 0.215 549 L C 1.686 178.366 176.870 -0.317 0.000 1.119 549 L CA 1.188 55.884 54.840 -0.240 0.000 0.790 549 L CB -0.842 41.145 42.059 -0.121 0.000 0.919 549 L HN 0.018 nan 8.230 nan 0.000 0.443 550 N N 0.072 118.619 118.700 -0.255 0.000 2.290 550 N HA -0.085 4.653 4.740 -0.004 0.000 0.179 550 N C 1.565 176.917 175.510 -0.264 0.000 1.016 550 N CA 0.790 53.711 53.050 -0.215 0.000 0.871 550 N CB 0.136 38.538 38.487 -0.142 0.000 0.987 550 N HN 0.193 nan 8.380 nan 0.000 0.431 551 K N -0.156 120.038 120.400 -0.343 0.000 2.418 551 K HA 0.167 4.484 4.320 -0.004 0.000 0.195 551 K C -0.176 176.140 176.600 -0.473 0.000 1.035 551 K CA 0.550 56.631 56.287 -0.344 0.000 1.003 551 K CB 0.335 32.654 32.500 -0.301 0.000 0.793 551 K HN 0.170 nan 8.250 nan 0.000 0.494 552 N N 0.254 118.539 118.700 -0.692 0.000 2.622 552 N HA 0.020 4.758 4.740 -0.004 0.000 0.304 552 N C 0.245 175.409 175.510 -0.577 0.000 1.844 552 N CA 0.075 52.679 53.050 -0.744 0.000 0.886 552 N CB 1.388 39.074 38.487 -1.335 0.000 1.366 552 N HN 0.018 nan 8.380 nan 0.000 0.491 553 S N 0.394 115.862 115.700 -0.386 0.000 2.382 553 S HA -0.279 4.188 4.470 -0.004 0.000 0.228 553 S C 1.904 176.355 174.600 -0.247 0.000 1.027 553 S CA 0.998 59.028 58.200 -0.284 0.000 0.991 553 S CB -0.264 62.810 63.200 -0.211 0.000 0.823 553 S HN 0.537 nan 8.310 nan 0.000 0.469 554 Q N 1.875 121.538 119.800 -0.229 0.000 2.152 554 Q HA -0.154 4.184 4.340 -0.004 0.000 0.206 554 Q C 1.939 177.819 176.000 -0.201 0.000 0.985 554 Q CA 1.449 57.139 55.803 -0.187 0.000 0.863 554 Q CB -0.553 28.091 28.738 -0.157 0.000 0.904 554 Q HN 0.555 nan 8.270 nan 0.000 0.422 555 K N 0.997 121.258 120.400 -0.230 0.000 2.076 555 K HA -0.024 4.293 4.320 -0.004 0.000 0.204 555 K C 0.723 177.175 176.600 -0.247 0.000 1.051 555 K CA 0.497 56.664 56.287 -0.199 0.000 0.949 555 K CB 0.021 32.438 32.500 -0.139 0.000 0.726 555 K HN 0.299 nan 8.250 nan 0.000 0.443 556 E N 2.352 122.399 120.200 -0.255 0.000 2.351 556 E HA -0.058 4.289 4.350 -0.004 0.000 0.266 556 E C -0.647 175.732 176.600 -0.369 0.000 1.031 556 E CA -0.117 56.119 56.400 -0.273 0.000 0.911 556 E CB 0.537 30.118 29.700 -0.199 0.000 0.986 556 E HN 0.019 nan 8.360 nan 0.000 0.446 557 Q N 2.689 122.127 119.800 -0.604 0.000 2.303 557 Q HA 0.410 4.748 4.340 -0.004 0.000 0.257 557 Q C 0.428 176.178 176.000 -0.416 0.000 0.941 557 Q CA 0.120 55.473 55.803 -0.750 0.000 0.931 557 Q CB 1.486 29.161 28.738 -1.772 0.000 1.215 557 Q HN 0.867 nan 8.270 nan 0.000 0.437 558 G N 2.179 110.871 108.800 -0.181 0.000 2.693 558 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.226 558 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.226 558 G C -0.756 174.147 174.900 0.006 0.000 1.354 558 G CA -0.273 44.829 45.100 0.003 0.000 0.873 558 G HN 1.173 nan 8.290 nan 0.000 0.562 559 S N -1.146 114.596 115.700 0.071 0.000 2.619 559 S HA 0.841 5.308 4.470 -0.004 0.000 0.280 559 S C -0.142 174.535 174.600 0.129 0.000 1.150 559 S CA 0.657 58.885 58.200 0.047 0.000 0.978 559 S CB 1.622 64.819 63.200 -0.004 0.000 1.041 559 S HN 2.445 nan 8.310 nan 0.000 0.485 560 A N 3.880 126.761 122.820 0.102 0.000 2.409 560 A HA 0.603 4.920 4.320 -0.004 0.000 0.267 560 A C 0.193 177.855 177.584 0.131 0.000 1.127 560 A CA -0.367 51.774 52.037 0.173 0.000 0.795 560 A CB 0.142 19.125 19.000 -0.028 0.000 1.061 560 A HN 0.849 nan 8.150 nan 0.000 0.502 561 K N 1.078 121.620 120.400 0.237 0.000 2.258 561 K HA 0.524 4.841 4.320 -0.004 0.000 0.236 561 K C -0.889 175.863 176.600 0.252 0.000 1.008 561 K CA -0.713 55.679 56.287 0.175 0.000 0.869 561 K CB 1.650 34.227 32.500 0.129 0.000 1.171 561 K HN 0.683 nan 8.250 nan 0.000 0.447 562 c N 1.792 120.495 118.600 0.171 0.000 2.536 562 c HA 0.230 4.797 4.570 -0.004 0.000 0.396 562 c C 0.691 174.866 174.090 0.142 0.000 1.279 562 c CA -0.745 55.693 56.329 0.181 0.000 2.148 562 c CB 0.095 42.678 42.510 0.120 0.000 2.584 562 c HN 0.788 nan 8.230 nan 0.000 0.579 563 S N 1.761 117.540 115.700 0.132 0.000 2.548 563 S HA 0.597 5.065 4.470 -0.004 0.000 0.277 563 S C 0.876 175.515 174.600 0.065 0.000 1.315 563 S CA 0.167 58.415 58.200 0.079 0.000 1.050 563 S CB 0.989 64.219 63.200 0.051 0.000 0.918 563 S HN 1.761 nan 8.310 nan 0.000 0.497 564 G N 2.398 111.227 108.800 0.049 0.000 3.211 564 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.206 564 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.206 564 G C 1.126 176.049 174.900 0.039 0.000 1.418 564 G CA 0.650 45.775 45.100 0.041 0.000 0.958 564 G HN 1.593 nan 8.290 nan 0.000 0.567 565 S N 0.432 116.159 115.700 0.045 0.000 2.483 565 S HA 0.429 4.897 4.470 -0.004 0.000 0.221 565 S C 2.434 177.058 174.600 0.040 0.000 1.030 565 S CA 1.641 59.864 58.200 0.038 0.000 0.925 565 S CB 0.651 63.873 63.200 0.037 0.000 0.795 565 S HN 2.586 nan 8.310 nan 0.000 0.511 566 G N 1.673 110.505 108.800 0.053 0.000 2.184 566 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.264 566 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.264 566 G C 0.051 174.981 174.900 0.051 0.000 0.975 566 G CA 0.519 45.652 45.100 0.055 0.000 0.642 566 G HN 0.750 nan 8.290 nan 0.000 0.536 567 K N 1.524 121.951 120.400 0.045 0.000 2.401 567 K HA 0.397 4.714 4.320 -0.004 0.000 0.278 567 K C -2.119 174.503 176.600 0.037 0.000 1.018 567 K CA -1.491 54.816 56.287 0.033 0.000 0.981 567 K CB 0.540 33.056 32.500 0.026 0.000 0.933 567 K HN 0.039 nan 8.250 nan 0.000 0.477 568 P HA -0.116 nan 4.420 nan 0.000 0.262 568 P C 0.499 177.797 177.300 -0.002 0.000 1.182 568 P CA -0.122 62.983 63.100 0.009 0.000 0.761 568 P CB 0.680 32.373 31.700 -0.013 0.000 0.795 569 V N 4.803 124.707 119.914 -0.017 0.000 2.332 569 V HA -0.299 3.818 4.120 -0.004 0.000 0.248 569 V C 2.330 178.391 176.094 -0.056 0.000 1.055 569 V CA 2.421 64.694 62.300 -0.044 0.000 1.038 569 V CB -1.194 30.542 31.823 -0.145 0.000 0.651 569 V HN 0.655 nan 8.190 nan 0.000 0.450 570 R N 0.724 121.180 120.500 -0.072 0.000 2.200 570 R HA -0.109 4.228 4.340 -0.004 0.000 0.234 570 R C 2.028 178.296 176.300 -0.052 0.000 1.127 570 R CA 1.671 57.727 56.100 -0.075 0.000 0.989 570 R CB -0.871 29.372 30.300 -0.094 0.000 0.869 570 R HN 0.440 nan 8.270 nan 0.000 0.459 571 S N 0.778 116.456 115.700 -0.036 0.000 2.423 571 S HA 0.062 4.529 4.470 -0.004 0.000 0.231 571 S C 0.835 175.427 174.600 -0.015 0.000 1.014 571 S CA 0.353 58.538 58.200 -0.024 0.000 0.965 571 S CB -0.086 63.106 63.200 -0.013 0.000 0.785 571 S HN 0.158 nan 8.310 nan 0.000 0.495 572 I N 2.482 123.046 120.570 -0.010 0.000 2.588 572 I HA 0.254 4.422 4.170 -0.004 0.000 0.283 572 I C 0.021 176.136 176.117 -0.002 0.000 1.119 572 I CA -0.182 61.118 61.300 0.001 0.000 1.419 572 I CB -0.220 37.787 38.000 0.013 0.000 1.394 572 I HN 0.104 nan 8.210 nan 0.000 0.562 573 I N 5.308 125.880 120.570 0.004 0.000 2.533 573 I HA 0.373 4.540 4.170 -0.004 0.000 0.290 573 I C -0.737 175.388 176.117 0.013 0.000 1.056 573 I CA -0.407 60.896 61.300 0.005 0.000 1.057 573 I CB 2.174 40.173 38.000 -0.001 0.000 1.240 573 I HN 0.443 nan 8.210 nan 0.000 0.423 574 c N 5.489 124.100 118.600 0.019 0.000 2.411 574 c HA 0.704 5.271 4.570 -0.004 0.000 0.330 574 c C -1.405 172.698 174.090 0.022 0.000 1.224 574 c CA -0.762 55.581 56.329 0.024 0.000 1.770 574 c CB 0.900 43.431 42.510 0.034 0.000 2.297 574 c HN 0.626 nan 8.230 nan 0.000 0.507 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.111 63.100 0.018 0.000 0.800 575 P CB 0.000 31.709 31.700 0.015 0.000 0.726