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 3a7c_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 ASNQLKSVPD 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 0.000 174.705 174.600 0.175 0.000 1.055 27 S CA 0.000 58.322 58.200 0.203 0.000 1.107 27 S CB 0.000 63.331 63.200 0.219 0.000 0.593 28 L N 2.419 123.765 121.223 0.204 0.000 2.535 28 L HA 0.214 4.573 4.340 0.031 0.000 0.301 28 L C 0.796 177.713 176.870 0.080 0.000 1.275 28 L CA 1.069 55.997 54.840 0.147 0.000 0.843 28 L CB 0.191 42.322 42.059 0.119 0.000 1.094 28 L HN 0.276 nan 8.230 nan 0.000 0.532 29 S N 1.073 116.808 115.700 0.059 0.000 2.461 29 S HA 0.359 4.848 4.470 0.031 0.000 0.216 29 S C -0.607 174.008 174.600 0.025 0.000 1.201 29 S CA -0.707 57.514 58.200 0.034 0.000 1.171 29 S CB 0.269 63.483 63.200 0.023 0.000 1.169 29 S HN 0.677 nan 8.310 nan 0.000 0.456 30 c N 3.388 122.001 118.600 0.022 0.000 2.328 30 c HA 0.881 5.469 4.570 0.031 0.000 0.378 30 c C -0.118 173.976 174.090 0.006 0.000 1.249 30 c CA -0.102 56.235 56.329 0.014 0.000 2.204 30 c CB 0.698 43.217 42.510 0.015 0.000 2.218 30 c HN 0.975 nan 8.230 nan 0.000 0.564 31 D N -0.051 120.349 120.400 0.001 0.000 2.533 31 D HA 0.541 5.200 4.640 0.031 0.000 0.247 31 D C 0.521 176.818 176.300 -0.004 0.000 1.056 31 D CA -0.108 53.890 54.000 -0.003 0.000 1.054 31 D CB 1.094 41.890 40.800 -0.007 0.000 1.400 31 D HN 0.532 nan 8.370 nan 0.000 0.533 32 A N 0.054 122.871 122.820 -0.006 0.000 1.971 32 A HA -0.188 4.151 4.320 0.031 0.000 0.222 32 A C 1.741 179.320 177.584 -0.008 0.000 1.182 32 A CA 2.047 54.080 52.037 -0.007 0.000 0.649 32 A CB -0.932 18.063 19.000 -0.008 0.000 0.818 32 A HN 0.434 nan 8.150 nan 0.000 0.458 33 S N -1.708 113.986 115.700 -0.010 0.000 2.614 33 S HA 0.412 4.901 4.470 0.031 0.000 0.230 33 S C 1.200 175.793 174.600 -0.012 0.000 0.952 33 S CA 0.645 58.837 58.200 -0.012 0.000 0.949 33 S CB 0.010 63.200 63.200 -0.016 0.000 0.786 33 S HN 1.684 nan 8.310 nan 0.000 0.478 34 G N 0.979 109.775 108.800 -0.008 0.000 2.148 34 G HA2 -0.246 3.733 3.960 0.031 0.000 0.254 34 G HA3 -0.246 3.733 3.960 0.031 0.000 0.254 34 G C 0.075 174.971 174.900 -0.008 0.000 0.981 34 G CA -0.017 45.080 45.100 -0.006 0.000 0.670 34 G HN 0.448 nan 8.290 nan 0.000 0.528 35 V N 1.407 121.314 119.914 -0.011 0.000 2.339 35 V HA 0.354 4.493 4.120 0.031 0.000 0.261 35 V C 0.996 177.087 176.094 -0.004 0.000 1.058 35 V CA -0.479 61.812 62.300 -0.015 0.000 0.897 35 V CB 0.502 32.311 31.823 -0.023 0.000 1.052 35 V HN 0.443 nan 8.190 nan 0.000 0.480 36 c N 3.874 122.477 118.600 0.005 0.000 2.365 36 c HA 0.536 5.125 4.570 0.031 0.000 0.351 36 c C 0.358 174.462 174.090 0.024 0.000 1.240 36 c CA -0.575 55.766 56.329 0.020 0.000 2.062 36 c CB 0.978 43.508 42.510 0.033 0.000 2.387 36 c HN 0.902 nan 8.230 nan 0.000 0.537 37 D N 0.324 120.742 120.400 0.029 0.000 2.462 37 D HA 0.499 5.158 4.640 0.031 0.000 0.245 37 D C 0.530 176.852 176.300 0.036 0.000 1.122 37 D CA -0.178 53.836 54.000 0.024 0.000 0.864 37 D CB 0.681 41.484 40.800 0.006 0.000 1.098 37 D HN 0.736 nan 8.370 nan 0.000 0.541 38 G N 3.287 112.114 108.800 0.045 0.000 3.519 38 G HA2 0.020 3.999 3.960 0.031 0.000 0.269 38 G HA3 0.020 3.999 3.960 0.031 0.000 0.269 38 G C 0.673 175.502 174.900 -0.117 0.000 1.028 38 G CA -0.532 44.578 45.100 0.017 0.000 0.809 38 G HN 0.436 nan 8.290 nan 0.000 0.521 39 R N 1.123 121.601 120.500 -0.036 0.000 2.638 39 R HA 0.144 4.503 4.340 0.031 0.000 0.268 39 R C 0.786 177.049 176.300 -0.061 0.000 1.006 39 R CA 0.697 56.797 56.100 0.000 0.000 1.088 39 R CB 0.068 30.402 30.300 0.056 0.000 0.950 39 R HN 0.132 nan 8.270 nan 0.000 0.419 40 S N 1.631 117.335 115.700 0.007 0.000 3.255 40 S HA -0.202 4.287 4.470 0.031 0.000 0.358 40 S C 0.379 174.883 174.600 -0.160 0.000 0.915 40 S CA 1.098 59.280 58.200 -0.031 0.000 1.335 40 S CB -0.411 62.759 63.200 -0.050 0.000 0.938 40 S HN 0.758 nan 8.310 nan 0.000 0.550 41 R N 1.481 121.790 120.500 -0.319 0.000 1.747 41 R HA 0.564 4.922 4.340 0.031 0.000 0.136 41 R C 1.398 177.560 176.300 -0.230 0.000 2.116 41 R CA 1.134 56.994 56.100 -0.401 0.000 1.739 41 R CB -0.055 29.647 30.300 -0.996 0.000 1.333 41 R HN 0.975 nan 8.270 nan 0.000 0.480 42 S N -1.759 113.799 115.700 -0.236 0.000 3.676 42 S HA 0.198 4.687 4.470 0.031 0.000 0.126 42 S C -0.221 174.474 174.600 0.157 0.000 0.826 42 S CA -0.717 57.478 58.200 -0.008 0.000 1.177 42 S CB -1.344 61.872 63.200 0.027 0.000 1.034 42 S HN 0.155 nan 8.310 nan 0.000 0.679 43 F N 3.161 123.127 119.950 0.026 0.000 2.629 43 F HA 0.183 4.729 4.527 0.032 0.000 0.369 43 F C 2.088 177.900 175.800 0.020 0.000 1.125 43 F CA 0.677 58.689 58.000 0.021 0.000 1.330 43 F CB 0.753 39.763 39.000 0.018 0.000 1.071 43 F HN 0.416 nan 8.300 nan 0.000 0.595 44 T N -2.125 112.550 114.554 0.202 0.000 3.044 44 T HA 0.228 4.596 4.350 0.031 0.000 0.260 44 T C -0.063 174.694 174.700 0.096 0.000 1.019 44 T CA 0.145 62.318 62.100 0.121 0.000 0.921 44 T CB 0.003 68.925 68.868 0.089 0.000 1.053 44 T HN 0.564 nan 8.240 nan 0.000 0.533 45 S N 0.115 115.864 115.700 0.081 0.000 2.578 45 S HA 0.563 5.052 4.470 0.031 0.000 0.272 45 S C -0.822 173.765 174.600 -0.022 0.000 1.145 45 S CA -1.184 57.038 58.200 0.037 0.000 0.835 45 S CB 0.465 63.684 63.200 0.032 0.000 1.104 45 S HN 0.275 nan 8.310 nan 0.000 0.458 46 I N 3.024 123.571 120.570 -0.038 0.000 2.880 46 I HA 0.136 4.325 4.170 0.031 0.000 0.296 46 I C -1.624 174.375 176.117 -0.197 0.000 1.220 46 I CA -1.102 60.155 61.300 -0.071 0.000 1.435 46 I CB 0.417 38.386 38.000 -0.052 0.000 1.339 46 I HN 0.537 nan 8.210 nan 0.000 0.583 47 P HA 0.023 nan 4.420 nan 0.000 0.268 47 P C -0.550 176.623 177.300 -0.211 0.000 1.204 47 P CA -0.322 62.508 63.100 -0.450 0.000 0.768 47 P CB 0.499 31.841 31.700 -0.596 0.000 0.842 48 S N 1.095 116.690 115.700 -0.174 0.000 2.579 48 S HA 0.389 4.878 4.470 0.031 0.000 0.275 48 S C 0.982 175.540 174.600 -0.070 0.000 1.345 48 S CA 0.135 58.277 58.200 -0.097 0.000 1.031 48 S CB -0.416 62.737 63.200 -0.077 0.000 0.892 48 S HN 0.928 nan 8.310 nan 0.000 0.529 49 G N 1.531 110.305 108.800 -0.043 0.000 2.354 49 G HA2 -0.187 3.792 3.960 0.031 0.000 0.278 49 G HA3 -0.187 3.792 3.960 0.031 0.000 0.278 49 G C -0.264 174.623 174.900 -0.022 0.000 0.953 49 G CA 0.138 45.222 45.100 -0.027 0.000 1.346 49 G HN 0.734 nan 8.290 nan 0.000 0.467 50 L N 0.345 121.558 121.223 -0.016 0.000 2.431 50 L HA 0.837 5.196 4.340 0.031 0.000 0.260 50 L C 1.254 178.125 176.870 0.001 0.000 1.098 50 L CA -0.307 54.530 54.840 -0.005 0.000 0.800 50 L CB 1.379 43.439 42.059 0.000 0.000 1.210 50 L HN 0.598 nan 8.230 nan 0.000 0.465 51 T N -3.108 111.449 114.554 0.006 0.000 2.888 51 T HA 0.582 4.951 4.350 0.031 0.000 0.288 51 T C 0.281 174.986 174.700 0.008 0.000 1.063 51 T CA -0.212 61.892 62.100 0.006 0.000 1.010 51 T CB 1.747 70.618 68.868 0.005 0.000 1.214 51 T HN 0.567 nan 8.240 nan 0.000 0.533 52 A N -0.450 122.375 122.820 0.007 0.000 2.278 52 A HA 0.635 4.974 4.320 0.031 0.000 0.212 52 A C 1.995 179.582 177.584 0.004 0.000 1.213 52 A CA 0.568 52.609 52.037 0.007 0.000 0.840 52 A CB -1.078 17.926 19.000 0.006 0.000 0.866 52 A HN 1.136 nan 8.150 nan 0.000 0.489 53 A N -0.508 122.314 122.820 0.004 0.000 2.044 53 A HA 0.373 4.712 4.320 0.031 0.000 0.213 53 A C 1.070 178.655 177.584 0.002 0.000 1.169 53 A CA -0.000 52.038 52.037 0.002 0.000 0.724 53 A CB -0.305 18.696 19.000 0.002 0.000 0.840 53 A HN 0.498 nan 8.150 nan 0.000 0.463 54 M N 0.828 120.431 119.600 0.005 0.000 2.252 54 M HA 0.106 4.605 4.480 0.031 0.000 0.348 54 M C 0.601 176.902 176.300 0.002 0.000 1.334 54 M CA 0.190 55.493 55.300 0.005 0.000 1.071 54 M CB 0.569 33.175 32.600 0.011 0.000 1.763 54 M HN 0.026 nan 8.290 nan 0.000 0.452 55 K N 0.699 121.097 120.400 -0.004 0.000 2.360 55 K HA 0.217 4.556 4.320 0.031 0.000 0.196 55 K C 0.080 176.670 176.600 -0.016 0.000 1.049 55 K CA 0.235 56.517 56.287 -0.009 0.000 1.049 55 K CB 0.910 33.402 32.500 -0.014 0.000 0.881 55 K HN 0.643 nan 8.250 nan 0.000 0.542 56 S N 0.732 116.422 115.700 -0.016 0.000 2.562 56 S HA 0.492 4.980 4.470 0.031 0.000 0.274 56 S C -2.151 172.444 174.600 -0.009 0.000 1.160 56 S CA -0.808 57.376 58.200 -0.026 0.000 0.933 56 S CB 0.842 64.011 63.200 -0.051 0.000 1.100 56 S HN 0.082 nan 8.310 nan 0.000 0.468 57 L N 4.136 125.359 121.223 0.000 0.000 2.372 57 L HA 0.716 5.075 4.340 0.031 0.000 0.274 57 L C -1.377 175.508 176.870 0.026 0.000 0.988 57 L CA -0.138 54.717 54.840 0.024 0.000 0.833 57 L CB 1.774 43.856 42.059 0.039 0.000 1.236 57 L HN 0.698 nan 8.230 nan 0.000 0.410 58 D N 4.912 125.331 120.400 0.032 0.000 2.454 58 D HA 0.332 4.991 4.640 0.031 0.000 0.225 58 D C -0.212 176.121 176.300 0.055 0.000 1.081 58 D CA 0.031 54.051 54.000 0.033 0.000 0.864 58 D CB 0.803 41.615 40.800 0.020 0.000 1.040 58 D HN 0.642 nan 8.370 nan 0.000 0.517 59 L N 2.356 123.615 121.223 0.060 0.000 3.062 59 L HA 0.251 4.610 4.340 0.031 0.000 0.255 59 L C 0.649 177.536 176.870 0.028 0.000 1.274 59 L CA -0.328 54.557 54.840 0.076 0.000 1.047 59 L CB 0.294 42.434 42.059 0.134 0.000 1.402 59 L HN 0.156 nan 8.230 nan 0.000 0.550 60 S N -0.318 115.395 115.700 0.022 0.000 2.587 60 S HA 0.188 4.677 4.470 0.031 0.000 0.260 60 S C 0.535 175.158 174.600 0.038 0.000 1.353 60 S CA -0.266 57.898 58.200 -0.058 0.000 0.995 60 S CB 0.081 63.268 63.200 -0.022 0.000 0.912 60 S HN 0.365 nan 8.310 nan 0.000 0.568 61 F N -0.029 119.903 119.950 -0.031 0.000 3.056 61 F HA -0.249 4.296 4.527 0.030 0.000 0.266 61 F C 0.711 176.476 175.800 -0.058 0.000 0.957 61 F CA 0.205 58.181 58.000 -0.040 0.000 0.894 61 F CB -1.907 37.068 39.000 -0.041 0.000 0.832 61 F HN 0.419 nan 8.300 nan 0.000 0.745 62 N N 0.535 119.250 118.700 0.025 0.000 2.823 62 N HA 0.435 5.194 4.740 0.031 0.000 0.324 62 N C 0.686 176.209 175.510 0.022 0.000 1.336 62 N CA -0.610 52.449 53.050 0.016 0.000 0.861 62 N CB 0.683 39.190 38.487 0.033 0.000 1.157 62 N HN 0.202 nan 8.380 nan 0.000 0.585 63 K N 0.794 121.225 120.400 0.051 0.000 2.792 63 K HA 0.413 4.752 4.320 0.031 0.000 0.207 63 K C -0.454 176.175 176.600 0.048 0.000 1.103 63 K CA -0.071 56.239 56.287 0.038 0.000 1.048 63 K CB 0.287 32.821 32.500 0.057 0.000 0.777 63 K HN 0.379 nan 8.250 nan 0.000 0.468 64 I N 1.983 122.580 120.570 0.046 0.000 2.455 64 I HA -0.091 4.098 4.170 0.031 0.000 0.303 64 I C 1.665 177.791 176.117 0.015 0.000 1.180 64 I CA 0.310 61.637 61.300 0.045 0.000 1.469 64 I CB 0.251 38.273 38.000 0.037 0.000 1.480 64 I HN 0.160 nan 8.210 nan 0.000 0.669 65 T N 5.179 119.763 114.554 0.050 0.000 2.904 65 T HA -0.141 4.227 4.350 0.031 0.000 0.267 65 T C 0.075 174.854 174.700 0.131 0.000 1.059 65 T CA 1.233 63.372 62.100 0.066 0.000 1.137 65 T CB 0.043 68.962 68.868 0.085 0.000 0.879 65 T HN 0.494 nan 8.240 nan 0.000 0.467 66 Y N 0.015 120.307 120.300 -0.013 0.000 2.524 66 Y HA 0.602 5.171 4.550 0.032 0.000 0.347 66 Y C -1.696 174.178 175.900 -0.043 0.000 1.005 66 Y CA -1.937 56.150 58.100 -0.021 0.000 1.025 66 Y CB 1.360 39.818 38.460 -0.003 0.000 1.275 66 Y HN -0.034 nan 8.280 nan 0.000 0.460 67 I N 5.536 125.566 120.570 -0.900 0.000 2.439 67 I HA 0.525 4.714 4.170 0.031 0.000 0.285 67 I C 0.339 175.759 176.117 -1.162 0.000 1.021 67 I CA -0.710 60.114 61.300 -0.793 0.000 1.091 67 I CB 1.650 39.343 38.000 -0.511 0.000 1.242 67 I HN 0.879 nan 8.210 nan 0.000 0.439 68 G N 2.639 110.936 108.800 -0.837 0.000 2.568 68 G HA2 0.226 4.204 3.960 0.031 0.000 0.293 68 G HA3 0.226 4.204 3.960 0.031 0.000 0.293 68 G C 0.432 175.211 174.900 -0.201 0.000 1.347 68 G CA -0.107 44.749 45.100 -0.407 0.000 1.039 68 G HN 0.671 nan 8.290 nan 0.000 0.523 69 H N -0.596 118.414 119.070 -0.100 0.000 2.387 69 H HA 0.051 4.626 4.556 0.032 0.000 0.299 69 H C 1.938 177.226 175.328 -0.066 0.000 1.090 69 H CA 1.537 57.536 56.048 -0.082 0.000 1.332 69 H CB 0.122 29.860 29.762 -0.040 0.000 1.386 69 H HN 0.461 nan 8.280 nan 0.000 0.516 70 G N -0.534 108.315 108.800 0.082 0.000 4.373 70 G HA2 0.298 4.277 3.960 0.031 0.000 0.337 70 G HA3 0.298 4.277 3.960 0.031 0.000 0.337 70 G C -0.711 174.188 174.900 -0.001 0.000 1.442 70 G CA -0.359 44.762 45.100 0.036 0.000 1.150 70 G HN 0.175 nan 8.290 nan 0.000 0.517 71 D N 0.699 121.078 120.400 -0.036 0.000 2.399 71 D HA 0.118 4.777 4.640 0.031 0.000 0.269 71 D C 1.694 177.975 176.300 -0.032 0.000 1.105 71 D CA 0.082 54.051 54.000 -0.051 0.000 0.844 71 D CB 0.703 41.442 40.800 -0.102 0.000 1.372 71 D HN 0.331 nan 8.370 nan 0.000 0.517 72 L N 0.102 121.315 121.223 -0.018 0.000 3.298 72 L HA 0.308 4.667 4.340 0.031 0.000 0.296 72 L C 1.657 178.550 176.870 0.039 0.000 1.237 72 L CA -0.237 54.616 54.840 0.022 0.000 1.038 72 L CB 0.725 42.820 42.059 0.060 0.000 1.423 72 L HN -0.175 nan 8.230 nan 0.000 0.605 73 R N 1.653 122.173 120.500 0.033 0.000 2.103 73 R HA -0.025 4.334 4.340 0.031 0.000 0.242 73 R C 1.193 177.519 176.300 0.042 0.000 1.142 73 R CA 1.346 57.477 56.100 0.051 0.000 0.960 73 R CB -0.310 30.019 30.300 0.049 0.000 0.858 73 R HN 0.273 nan 8.270 nan 0.000 0.439 74 A N 0.174 123.011 122.820 0.029 0.000 3.157 74 A HA 0.281 4.620 4.320 0.031 0.000 0.276 74 A C -0.012 177.585 177.584 0.021 0.000 1.524 74 A CA -0.374 51.676 52.037 0.022 0.000 1.236 74 A CB -0.208 18.801 19.000 0.014 0.000 1.173 74 A HN 0.371 nan 8.150 nan 0.000 0.595 75 C N 0.161 119.476 119.300 0.026 0.000 3.482 75 C HA 0.330 4.808 4.460 0.031 0.000 0.299 75 C C 1.944 176.947 174.990 0.022 0.000 2.619 75 C CA -0.184 58.849 59.018 0.024 0.000 1.533 75 C CB -0.750 27.010 27.740 0.033 0.000 3.079 75 C HN 0.883 nan 8.230 nan 0.000 0.433 76 A N 1.317 124.147 122.820 0.016 0.000 2.093 76 A HA -0.228 4.111 4.320 0.031 0.000 0.222 76 A C 1.552 179.138 177.584 0.004 0.000 1.162 76 A CA 2.064 54.106 52.037 0.008 0.000 0.655 76 A CB -0.461 18.542 19.000 0.004 0.000 0.805 76 A HN 0.845 nan 8.150 nan 0.000 0.461 77 N N -1.383 117.321 118.700 0.006 0.000 2.205 77 N HA 0.193 4.952 4.740 0.031 0.000 0.201 77 N C -0.442 175.070 175.510 0.003 0.000 1.128 77 N CA -0.545 52.507 53.050 0.002 0.000 0.867 77 N CB 0.281 38.769 38.487 0.001 0.000 0.996 77 N HN 0.307 nan 8.380 nan 0.000 0.503 78 L N 2.064 123.292 121.223 0.008 0.000 2.628 78 L HA -0.091 4.268 4.340 0.031 0.000 0.274 78 L C 1.084 177.957 176.870 0.005 0.000 1.209 78 L CA 1.058 55.903 54.840 0.008 0.000 0.930 78 L CB 0.520 42.590 42.059 0.018 0.000 1.183 78 L HN 0.167 nan 8.230 nan 0.000 0.492 79 Q N 2.894 122.693 119.800 -0.001 0.000 2.378 79 Q HA 0.249 4.608 4.340 0.031 0.000 0.229 79 Q C -0.704 175.300 176.000 0.008 0.000 0.882 79 Q CA 0.170 55.974 55.803 0.002 0.000 0.936 79 Q CB 1.016 29.748 28.738 -0.009 0.000 1.092 79 Q HN 0.489 nan 8.270 nan 0.000 0.535 80 V N 1.856 121.764 119.914 -0.011 0.000 2.525 80 V HA 0.346 4.485 4.120 0.031 0.000 0.299 80 V C -1.369 174.725 176.094 0.000 0.000 1.034 80 V CA -0.809 61.476 62.300 -0.025 0.000 0.863 80 V CB 2.083 33.819 31.823 -0.145 0.000 0.999 80 V HN 0.063 nan 8.190 nan 0.000 0.423 81 L N 6.970 128.225 121.223 0.054 0.000 2.372 81 L HA 0.679 5.038 4.340 0.031 0.000 0.273 81 L C -0.898 176.022 176.870 0.084 0.000 0.989 81 L CA -0.000 54.865 54.840 0.042 0.000 0.841 81 L CB 1.294 43.354 42.059 0.002 0.000 1.225 81 L HN 0.584 nan 8.230 nan 0.000 0.414 82 I N 6.589 127.195 120.570 0.059 0.000 2.355 82 I HA 0.298 4.487 4.170 0.031 0.000 0.288 82 I C -0.027 176.104 176.117 0.024 0.000 0.999 82 I CA -0.249 61.093 61.300 0.069 0.000 1.163 82 I CB 1.443 39.474 38.000 0.051 0.000 1.316 82 I HN 0.576 nan 8.210 nan 0.000 0.454 83 L N 6.516 127.739 121.223 0.000 0.000 3.218 83 L HA 0.281 4.640 4.340 0.031 0.000 0.279 83 L C 0.641 177.447 176.870 -0.106 0.000 1.287 83 L CA -0.214 54.603 54.840 -0.039 0.000 1.024 83 L CB 0.098 42.146 42.059 -0.018 0.000 1.409 83 L HN 0.525 nan 8.230 nan 0.000 0.580 84 K N 0.274 120.585 120.400 -0.148 0.000 2.414 84 K HA 0.047 4.386 4.320 0.031 0.000 0.272 84 K C 0.788 177.101 176.600 -0.479 0.000 0.993 84 K CA 0.320 56.457 56.287 -0.250 0.000 0.964 84 K CB 0.627 32.989 32.500 -0.230 0.000 0.925 84 K HN 0.118 nan 8.250 nan 0.000 0.487 85 S N 0.891 116.348 115.700 -0.405 0.000 3.462 85 S HA -0.156 4.333 4.470 0.031 0.000 0.370 85 S C -0.275 174.135 174.600 -0.317 0.000 1.028 85 S CA 0.876 58.831 58.200 -0.407 0.000 1.119 85 S CB -1.030 61.771 63.200 -0.665 0.000 0.906 85 S HN 0.685 nan 8.310 nan 0.000 0.471 86 S N -0.013 115.544 115.700 -0.238 0.000 2.690 86 S HA 0.511 5.000 4.470 0.031 0.000 0.285 86 S C 0.940 175.407 174.600 -0.222 0.000 1.135 86 S CA -0.852 57.251 58.200 -0.162 0.000 1.020 86 S CB 0.672 63.805 63.200 -0.111 0.000 1.159 86 S HN 0.449 nan 8.310 nan 0.000 0.534 87 R N 0.637 120.999 120.500 -0.231 0.000 2.997 87 R HA 0.365 4.724 4.340 0.031 0.000 0.358 87 R C -0.855 175.237 176.300 -0.347 0.000 1.191 87 R CA -0.085 55.721 56.100 -0.490 0.000 1.113 87 R CB -0.310 29.795 30.300 -0.324 0.000 1.433 87 R HN 0.449 nan 8.270 nan 0.000 0.584 88 I N 1.967 122.403 120.570 -0.223 0.000 2.598 88 I HA -0.062 4.127 4.170 0.031 0.000 0.284 88 I C 0.876 176.985 176.117 -0.014 0.000 1.140 88 I CA 0.277 61.522 61.300 -0.092 0.000 1.420 88 I CB 0.516 38.467 38.000 -0.082 0.000 1.387 88 I HN 0.406 nan 8.210 nan 0.000 0.553 89 N N 1.965 120.705 118.700 0.067 0.000 2.113 89 N HA 0.075 4.834 4.740 0.031 0.000 0.223 89 N C -0.375 175.235 175.510 0.168 0.000 1.310 89 N CA -0.248 52.894 53.050 0.152 0.000 0.896 89 N CB 1.002 39.599 38.487 0.183 0.000 1.097 89 N HN 0.444 nan 8.380 nan 0.000 0.507 90 T N 1.048 115.689 114.554 0.145 0.000 3.143 90 T HA 0.473 4.842 4.350 0.031 0.000 0.312 90 T C -1.164 173.561 174.700 0.041 0.000 0.986 90 T CA -0.345 61.868 62.100 0.189 0.000 1.024 90 T CB 1.326 70.388 68.868 0.324 0.000 1.030 90 T HN 0.079 nan 8.240 nan 0.000 0.448 91 I N 2.820 123.418 120.570 0.047 0.000 2.439 91 I HA 0.281 4.470 4.170 0.031 0.000 0.285 91 I C 0.186 176.297 176.117 -0.011 0.000 1.021 91 I CA -1.000 60.160 61.300 -0.232 0.000 1.091 91 I CB 1.683 39.260 38.000 -0.705 0.000 1.242 91 I HN 0.447 nan 8.210 nan 0.000 0.439 92 E N 3.947 124.010 120.200 -0.227 0.000 2.437 92 E HA -0.011 4.358 4.350 0.031 0.000 0.263 92 E C 1.181 177.704 176.600 -0.130 0.000 1.030 92 E CA 0.345 56.624 56.400 -0.201 0.000 0.934 92 E CB 0.977 30.353 29.700 -0.540 0.000 0.943 92 E HN 0.852 nan 8.360 nan 0.000 0.444 93 G N 3.007 111.763 108.800 -0.073 0.000 2.513 93 G HA2 -0.295 3.684 3.960 0.031 0.000 0.219 93 G HA3 -0.295 3.684 3.960 0.031 0.000 0.219 93 G C 0.758 175.634 174.900 -0.041 0.000 1.160 93 G CA 1.223 46.312 45.100 -0.018 0.000 0.767 93 G HN 0.630 nan 8.290 nan 0.000 0.571 94 D N 0.746 121.030 120.400 -0.193 0.000 2.395 94 D HA 0.392 5.051 4.640 0.031 0.000 0.226 94 D C 2.008 178.197 176.300 -0.184 0.000 1.146 94 D CA 0.504 54.418 54.000 -0.143 0.000 0.830 94 D CB 0.084 40.750 40.800 -0.222 0.000 0.958 94 D HN 0.282 nan 8.370 nan 0.000 0.501 95 A N 0.391 122.975 122.820 -0.393 0.000 1.978 95 A HA -0.130 4.209 4.320 0.031 0.000 0.220 95 A C 1.188 178.492 177.584 -0.467 0.000 1.170 95 A CA 0.856 52.554 52.037 -0.565 0.000 0.636 95 A CB -0.693 17.753 19.000 -0.923 0.000 0.810 95 A HN 0.245 nan 8.150 nan 0.000 0.448 96 F N -3.059 116.872 119.950 -0.032 0.000 2.653 96 F HA 0.240 4.787 4.527 0.032 0.000 0.304 96 F C 1.375 177.226 175.800 0.085 0.000 1.092 96 F CA -1.295 56.707 58.000 0.004 0.000 1.279 96 F CB -0.834 38.157 39.000 -0.015 0.000 1.044 96 F HN 0.295 nan 8.300 nan 0.000 0.564 97 Y N 1.916 122.269 120.300 0.088 0.000 2.096 97 Y HA -0.351 4.218 4.550 0.032 0.000 0.278 97 Y C 2.353 178.298 175.900 0.075 0.000 1.192 97 Y CA 1.933 60.076 58.100 0.072 0.000 1.143 97 Y CB -0.503 37.976 38.460 0.031 0.000 0.963 97 Y HN 0.099 nan 8.280 nan 0.000 0.505 98 S N -0.809 114.944 115.700 0.089 0.000 2.685 98 S HA 0.236 4.725 4.470 0.031 0.000 0.240 98 S C 0.129 174.736 174.600 0.012 0.000 0.967 98 S CA -0.318 57.877 58.200 -0.009 0.000 1.009 98 S CB -0.930 62.300 63.200 0.051 0.000 0.776 98 S HN 0.329 nan 8.310 nan 0.000 0.467 99 L N 1.470 122.715 121.223 0.037 0.000 2.959 99 L HA 0.445 4.804 4.340 0.031 0.000 0.236 99 L C 1.619 178.497 176.870 0.013 0.000 1.296 99 L CA -0.516 54.349 54.840 0.042 0.000 1.047 99 L CB 0.099 42.209 42.059 0.084 0.000 1.395 99 L HN 0.503 nan 8.230 nan 0.000 0.492 100 G N -0.724 108.065 108.800 -0.017 0.000 2.598 100 G HA2 -0.137 3.842 3.960 0.031 0.000 0.215 100 G HA3 -0.137 3.842 3.960 0.031 0.000 0.215 100 G C 1.175 176.071 174.900 -0.007 0.000 1.131 100 G CA 0.320 45.407 45.100 -0.021 0.000 0.785 100 G HN 0.406 nan 8.290 nan 0.000 0.539 101 S N -0.277 115.421 115.700 -0.003 0.000 2.582 101 S HA 0.286 4.775 4.470 0.031 0.000 0.234 101 S C 0.098 174.702 174.600 0.006 0.000 0.961 101 S CA -0.593 57.608 58.200 0.001 0.000 0.953 101 S CB 0.159 63.358 63.200 -0.001 0.000 0.800 101 S HN 0.181 nan 8.310 nan 0.000 0.471 102 L N 2.429 123.656 121.223 0.008 0.000 2.319 102 L HA 0.277 4.636 4.340 0.031 0.000 0.280 102 L C 0.767 177.649 176.870 0.021 0.000 1.099 102 L CA 0.797 55.643 54.840 0.010 0.000 0.828 102 L CB 0.519 42.572 42.059 -0.010 0.000 1.150 102 L HN 0.103 nan 8.230 nan 0.000 0.442 103 E N 2.080 122.306 120.200 0.044 0.000 2.485 103 E HA 0.091 4.460 4.350 0.031 0.000 0.213 103 E C -0.580 176.097 176.600 0.129 0.000 0.923 103 E CA 0.011 56.448 56.400 0.061 0.000 1.054 103 E CB 0.622 30.351 29.700 0.050 0.000 1.077 103 E HN 0.665 nan 8.360 nan 0.000 0.509 104 H N 0.455 119.536 119.070 0.019 0.000 2.924 104 H HA 0.419 4.993 4.556 0.031 0.000 0.333 104 H C -1.841 173.521 175.328 0.057 0.000 0.979 104 H CA -0.984 55.111 56.048 0.079 0.000 1.326 104 H CB 1.030 30.790 29.762 -0.004 0.000 1.600 104 H HN -0.069 nan 8.280 nan 0.000 0.520 105 L N 4.978 126.230 121.223 0.049 0.000 2.376 105 L HA 0.414 4.772 4.340 0.031 0.000 0.275 105 L C -1.535 175.316 176.870 -0.032 0.000 0.987 105 L CA -0.466 54.371 54.840 -0.006 0.000 0.828 105 L CB 1.660 43.641 42.059 -0.131 0.000 1.249 105 L HN 0.757 nan 8.230 nan 0.000 0.409 106 D N 4.639 125.072 120.400 0.055 0.000 2.462 106 D HA 0.349 5.008 4.640 0.031 0.000 0.245 106 D C -0.312 175.997 176.300 0.015 0.000 1.122 106 D CA -0.056 53.978 54.000 0.057 0.000 0.864 106 D CB 1.000 41.916 40.800 0.192 0.000 1.098 106 D HN 0.636 nan 8.370 nan 0.000 0.541 107 L N 2.549 123.771 121.223 -0.001 0.000 3.066 107 L HA 0.188 4.547 4.340 0.031 0.000 0.265 107 L C 0.816 177.694 176.870 0.013 0.000 1.232 107 L CA -0.345 54.497 54.840 0.003 0.000 1.031 107 L CB 0.181 42.257 42.059 0.030 0.000 1.379 107 L HN 0.331 nan 8.230 nan 0.000 0.563 108 S N -1.357 114.342 115.700 -0.003 0.000 2.576 108 S HA 0.002 4.491 4.470 0.031 0.000 0.272 108 S C 0.545 175.125 174.600 -0.033 0.000 1.352 108 S CA -0.342 57.853 58.200 -0.008 0.000 1.021 108 S CB 0.544 63.735 63.200 -0.016 0.000 0.887 108 S HN 0.405 nan 8.310 nan 0.000 0.542 109 D N 0.864 121.253 120.400 -0.019 0.000 2.751 109 D HA -0.137 4.522 4.640 0.031 0.000 0.233 109 D C -0.079 176.225 176.300 0.007 0.000 1.149 109 D CA 0.874 54.866 54.000 -0.013 0.000 0.682 109 D CB -1.431 39.345 40.800 -0.040 0.000 1.068 109 D HN 0.593 nan 8.370 nan 0.000 0.429 110 N N -0.720 118.002 118.700 0.037 0.000 2.867 110 N HA 0.278 5.037 4.740 0.031 0.000 0.326 110 N C 0.596 176.250 175.510 0.241 0.000 1.355 110 N CA -0.333 52.730 53.050 0.021 0.000 0.830 110 N CB 0.432 38.908 38.487 -0.018 0.000 1.152 110 N HN 0.259 nan 8.380 nan 0.000 0.569 111 H N -0.009 119.092 119.070 0.051 0.000 2.467 111 H HA 0.277 4.851 4.556 0.031 0.000 0.275 111 H C -0.434 174.963 175.328 0.114 0.000 1.131 111 H CA -0.513 55.575 56.048 0.067 0.000 0.989 111 H CB 0.450 30.247 29.762 0.057 0.000 1.696 111 H HN 0.006 nan 8.280 nan 0.000 0.574 112 L N 1.687 123.071 121.223 0.269 0.000 2.485 112 L HA 0.038 4.397 4.340 0.031 0.000 0.279 112 L C 1.215 178.286 176.870 0.335 0.000 1.124 112 L CA 0.526 55.556 54.840 0.318 0.000 0.888 112 L CB 0.716 43.015 42.059 0.401 0.000 1.217 112 L HN 0.282 nan 8.230 nan 0.000 0.464 113 S N 0.713 116.569 115.700 0.259 0.000 2.496 113 S HA 0.031 4.520 4.470 0.031 0.000 0.224 113 S C 0.874 175.611 174.600 0.228 0.000 0.996 113 S CA 0.280 58.611 58.200 0.219 0.000 0.927 113 S CB 0.251 63.536 63.200 0.142 0.000 0.774 113 S HN 0.649 nan 8.310 nan 0.000 0.524 114 S N 0.215 116.039 115.700 0.207 0.000 2.546 114 S HA 0.682 5.171 4.470 0.031 0.000 0.274 114 S C -1.627 172.968 174.600 -0.009 0.000 1.121 114 S CA -0.781 57.465 58.200 0.077 0.000 0.887 114 S CB 0.852 64.056 63.200 0.007 0.000 1.094 114 S HN 0.207 nan 8.310 nan 0.000 0.474 115 L N 2.962 124.051 121.223 -0.224 0.000 2.325 115 L HA 0.556 4.915 4.340 0.031 0.000 0.281 115 L C 0.028 176.408 176.870 -0.817 0.000 1.004 115 L CA -0.593 53.956 54.840 -0.485 0.000 0.823 115 L CB 1.920 43.822 42.059 -0.262 0.000 1.236 115 L HN 0.603 nan 8.230 nan 0.000 0.415 116 S N 0.372 115.057 115.700 -1.691 0.000 2.480 116 S HA 0.189 4.677 4.470 0.031 0.000 0.286 116 S C 1.153 175.186 174.600 -0.946 0.000 1.180 116 S CA -0.419 57.010 58.200 -1.285 0.000 1.075 116 S CB 1.368 63.678 63.200 -1.484 0.000 0.996 116 S HN 0.727 nan 8.310 nan 0.000 0.487 117 S N 3.376 118.776 115.700 -0.499 0.000 2.474 117 S HA -0.108 4.381 4.470 0.031 0.000 0.235 117 S C 1.812 176.299 174.600 -0.187 0.000 0.997 117 S CA 1.105 59.149 58.200 -0.259 0.000 0.949 117 S CB -0.632 62.457 63.200 -0.185 0.000 0.766 117 S HN 0.874 nan 8.310 nan 0.000 0.517 118 S N -0.099 115.447 115.700 -0.258 0.000 2.481 118 S HA 0.013 4.502 4.470 0.031 0.000 0.231 118 S C 1.413 176.026 174.600 0.022 0.000 0.996 118 S CA 0.126 58.266 58.200 -0.101 0.000 0.942 118 S CB -0.770 62.362 63.200 -0.113 0.000 0.768 118 S HN 0.664 nan 8.310 nan 0.000 0.520 119 W N 1.599 122.720 121.300 -0.299 0.000 2.358 119 W HA 0.169 4.848 4.660 0.031 0.000 0.303 119 W C 1.335 177.736 176.519 -0.196 0.000 1.208 119 W CA 0.080 57.227 57.345 -0.330 0.000 1.274 119 W CB -1.260 27.755 29.460 -0.742 0.000 1.138 119 W HN 0.351 nan 8.180 nan 0.000 0.515 120 F N -0.219 119.958 119.950 0.377 0.000 2.765 120 F HA 0.299 4.845 4.527 0.032 0.000 0.302 120 F C 2.267 178.165 175.800 0.162 0.000 1.111 120 F CA 0.194 58.336 58.000 0.236 0.000 1.359 120 F CB -1.361 37.761 39.000 0.204 0.000 1.097 120 F HN -0.167 nan 8.300 nan 0.000 0.577 121 G N 1.864 110.816 108.800 0.253 0.000 2.446 121 G HA2 -0.195 3.784 3.960 0.031 0.000 0.217 121 G HA3 -0.195 3.784 3.960 0.031 0.000 0.217 121 G C -0.817 174.184 174.900 0.168 0.000 1.168 121 G CA 0.630 45.841 45.100 0.185 0.000 0.771 121 G HN 0.238 nan 8.290 nan 0.000 0.551 122 P HA 0.311 nan 4.420 nan 0.000 0.241 122 P C -0.151 177.199 177.300 0.083 0.000 1.783 122 P CA 0.049 63.202 63.100 0.088 0.000 1.052 122 P CB -0.113 31.606 31.700 0.031 0.000 1.594 123 L N 0.279 121.577 121.223 0.125 0.000 3.096 123 L HA 0.186 4.545 4.340 0.031 0.000 0.272 123 L C 1.787 178.701 176.870 0.073 0.000 1.311 123 L CA -0.112 54.787 54.840 0.098 0.000 0.943 123 L CB 0.288 42.430 42.059 0.138 0.000 1.348 123 L HN -0.087 nan 8.230 nan 0.000 0.562 124 S N -2.000 113.733 115.700 0.054 0.000 2.440 124 S HA -0.157 4.332 4.470 0.031 0.000 0.238 124 S C 1.567 176.180 174.600 0.022 0.000 1.010 124 S CA 1.373 59.596 58.200 0.039 0.000 0.972 124 S CB -0.143 63.073 63.200 0.027 0.000 0.774 124 S HN 0.422 nan 8.310 nan 0.000 0.501 125 S N 1.051 116.761 115.700 0.018 0.000 2.634 125 S HA 0.365 4.854 4.470 0.031 0.000 0.221 125 S C 0.079 174.685 174.600 0.011 0.000 0.952 125 S CA -0.474 57.732 58.200 0.010 0.000 0.930 125 S CB -0.338 62.866 63.200 0.007 0.000 0.780 125 S HN 0.419 nan 8.310 nan 0.000 0.498 126 L N 2.428 123.657 121.223 0.010 0.000 2.418 126 L HA 0.205 4.564 4.340 0.031 0.000 0.274 126 L C 0.871 177.731 176.870 -0.017 0.000 1.135 126 L CA 0.789 55.628 54.840 -0.001 0.000 0.870 126 L CB 0.475 42.527 42.059 -0.011 0.000 1.154 126 L HN -0.046 nan 8.230 nan 0.000 0.462 127 K N 3.835 124.239 120.400 0.007 0.000 2.287 127 K HA 0.070 4.409 4.320 0.031 0.000 0.199 127 K C -0.648 175.957 176.600 0.010 0.000 1.061 127 K CA 0.252 56.543 56.287 0.006 0.000 0.976 127 K CB 0.441 32.964 32.500 0.038 0.000 0.898 127 K HN 0.513 nan 8.250 nan 0.000 0.492 128 Y N 1.124 121.336 120.300 -0.146 0.000 2.350 128 Y HA 0.460 5.029 4.550 0.032 0.000 0.338 128 Y C -1.640 174.071 175.900 -0.315 0.000 0.961 128 Y CA -1.500 56.453 58.100 -0.245 0.000 1.100 128 Y CB 1.260 39.538 38.460 -0.304 0.000 1.179 128 Y HN -0.174 nan 8.280 nan 0.000 0.454 129 L N 7.220 127.992 121.223 -0.752 0.000 2.406 129 L HA 0.528 4.886 4.340 0.031 0.000 0.272 129 L C -1.960 174.464 176.870 -0.743 0.000 0.980 129 L CA -0.439 54.030 54.840 -0.620 0.000 0.831 129 L CB 1.563 43.325 42.059 -0.494 0.000 1.253 129 L HN 0.763 nan 8.230 nan 0.000 0.406 130 N N 5.230 123.591 118.700 -0.565 0.000 2.483 130 N HA 0.416 5.174 4.740 0.031 0.000 0.267 130 N C -0.463 174.967 175.510 -0.132 0.000 0.998 130 N CA -0.308 52.512 53.050 -0.383 0.000 0.918 130 N CB 1.136 39.449 38.487 -0.290 0.000 1.215 130 N HN 0.780 nan 8.380 nan 0.000 0.500 131 L N 2.148 123.336 121.223 -0.058 0.000 2.858 131 L HA 0.387 4.745 4.340 0.031 0.000 0.251 131 L C 1.141 178.107 176.870 0.160 0.000 1.149 131 L CA -0.166 54.745 54.840 0.118 0.000 0.955 131 L CB 0.078 42.260 42.059 0.205 0.000 1.289 131 L HN 0.407 nan 8.230 nan 0.000 0.542 132 M N 0.248 119.859 119.600 0.019 0.000 2.250 132 M HA 0.219 4.718 4.480 0.031 0.000 0.325 132 M C 1.297 177.559 176.300 -0.062 0.000 1.084 132 M CA 1.673 56.942 55.300 -0.052 0.000 1.161 132 M CB 0.523 33.063 32.600 -0.100 0.000 1.481 132 M HN 0.246 nan 8.290 nan 0.000 0.449 133 G N 2.064 110.783 108.800 -0.135 0.000 2.141 133 G HA2 -0.228 3.751 3.960 0.031 0.000 0.242 133 G HA3 -0.228 3.751 3.960 0.031 0.000 0.242 133 G C -0.375 174.472 174.900 -0.088 0.000 0.982 133 G CA -0.210 44.829 45.100 -0.103 0.000 0.662 133 G HN 0.726 nan 8.290 nan 0.000 0.527 134 N N 0.723 119.320 118.700 -0.173 0.000 2.399 134 N HA 0.423 5.182 4.740 0.031 0.000 0.295 134 N C -2.250 173.050 175.510 -0.350 0.000 1.048 134 N CA -1.366 51.622 53.050 -0.104 0.000 0.886 134 N CB 2.394 40.996 38.487 0.190 0.000 1.185 134 N HN 0.001 nan 8.380 nan 0.000 0.487 135 P HA 0.001 nan 4.420 nan 0.000 0.269 135 P C -0.806 176.494 177.300 0.000 0.000 1.601 135 P CA 0.101 63.147 63.100 -0.091 0.000 0.831 135 P CB -0.811 30.878 31.700 -0.018 0.000 1.688 136 Y N -2.430 117.951 120.300 0.135 0.000 2.307 136 Y HA 0.403 4.972 4.550 0.031 0.000 0.324 136 Y C 1.638 177.654 175.900 0.194 0.000 1.238 136 Y CA -0.985 57.204 58.100 0.149 0.000 1.280 136 Y CB 0.091 38.649 38.460 0.163 0.000 1.248 136 Y HN -0.191 nan 8.280 nan 0.000 0.508 137 Q N 0.589 120.588 119.800 0.332 0.000 2.339 137 Q HA 0.133 4.492 4.340 0.031 0.000 0.205 137 Q C -0.141 175.942 176.000 0.139 0.000 0.925 137 Q CA 1.184 57.099 55.803 0.186 0.000 0.898 137 Q CB 0.498 29.278 28.738 0.069 0.000 1.013 137 Q HN 0.986 nan 8.270 nan 0.000 0.504 138 T N -4.470 110.223 114.554 0.232 0.000 2.754 138 T HA 0.370 4.739 4.350 0.031 0.000 0.296 138 T C 0.198 174.993 174.700 0.157 0.000 1.205 138 T CA -0.787 61.388 62.100 0.125 0.000 1.009 138 T CB 0.384 69.224 68.868 -0.046 0.000 1.368 138 T HN -0.008 nan 8.240 nan 0.000 0.509 139 L N 1.124 122.381 121.223 0.057 0.000 2.612 139 L HA 0.471 4.830 4.340 0.031 0.000 0.230 139 L C 1.447 178.205 176.870 -0.186 0.000 1.140 139 L CA 0.515 55.284 54.840 -0.118 0.000 0.896 139 L CB -1.034 40.948 42.059 -0.128 0.000 1.065 139 L HN 1.252 nan 8.230 nan 0.000 0.447 140 G N -0.666 108.053 108.800 -0.136 0.000 2.631 140 G HA2 -0.201 3.778 3.960 0.031 0.000 0.504 140 G HA3 -0.201 3.778 3.960 0.031 0.000 0.504 140 G C 0.016 174.828 174.900 -0.147 0.000 1.306 140 G CA -0.502 44.507 45.100 -0.153 0.000 0.897 140 G HN -0.285 nan 8.290 nan 0.000 0.520 141 V N 0.655 120.485 119.914 -0.141 0.000 3.506 141 V HA 0.236 4.375 4.120 0.031 0.000 0.263 141 V C 1.385 177.400 176.094 -0.133 0.000 1.203 141 V CA 2.090 64.315 62.300 -0.124 0.000 1.133 141 V CB 0.202 31.963 31.823 -0.103 0.000 0.802 141 V HN 0.874 nan 8.190 nan 0.000 0.459 142 T N 0.217 114.677 114.554 -0.157 0.000 2.829 142 T HA 0.323 4.691 4.350 0.031 0.000 0.280 142 T C 0.119 174.704 174.700 -0.192 0.000 0.999 142 T CA -0.253 61.755 62.100 -0.154 0.000 0.983 142 T CB 1.608 70.387 68.868 -0.149 0.000 0.968 142 T HN 0.156 nan 8.240 nan 0.000 0.446 143 S N 2.800 118.398 115.700 -0.170 0.000 2.546 143 S HA 0.050 4.539 4.470 0.031 0.000 0.290 143 S C 1.424 175.864 174.600 -0.267 0.000 1.262 143 S CA -0.362 57.714 58.200 -0.207 0.000 1.083 143 S CB -0.007 63.121 63.200 -0.120 0.000 0.859 143 S HN 0.521 nan 8.310 nan 0.000 0.495 144 L N 1.736 122.646 121.223 -0.521 0.000 2.375 144 L HA 0.139 4.498 4.340 0.031 0.000 0.215 144 L C 0.502 177.011 176.870 -0.601 0.000 1.108 144 L CA 0.823 55.287 54.840 -0.628 0.000 0.830 144 L CB -0.164 41.280 42.059 -1.024 0.000 0.959 144 L HN 0.617 nan 8.230 nan 0.000 0.457 145 F N -1.509 118.446 119.950 0.008 0.000 2.683 145 F HA 0.258 4.805 4.527 0.033 0.000 0.306 145 F C -0.997 174.808 175.800 0.008 0.000 1.102 145 F CA -1.692 56.295 58.000 -0.021 0.000 1.244 145 F CB -1.133 37.828 39.000 -0.066 0.000 1.029 145 F HN -0.073 nan 8.300 nan 0.000 0.545 146 P HA -0.201 nan 4.420 nan 0.000 0.217 146 P C 0.514 177.864 177.300 0.083 0.000 1.148 146 P CA 1.647 64.799 63.100 0.086 0.000 0.828 146 P CB 0.015 31.739 31.700 0.040 0.000 0.783 147 N N -0.325 118.432 118.700 0.096 0.000 2.276 147 N HA 0.049 4.808 4.740 0.031 0.000 0.212 147 N C 0.275 175.837 175.510 0.087 0.000 1.127 147 N CA -0.112 52.988 53.050 0.084 0.000 0.834 147 N CB -0.475 38.064 38.487 0.086 0.000 1.014 147 N HN 0.240 nan 8.380 nan 0.000 0.491 148 L N 1.188 122.467 121.223 0.094 0.000 2.657 148 L HA 0.253 4.612 4.340 0.031 0.000 0.239 148 L C 0.805 177.687 176.870 0.020 0.000 1.215 148 L CA -0.272 54.603 54.840 0.058 0.000 1.161 148 L CB 0.326 42.417 42.059 0.052 0.000 1.436 148 L HN -0.033 nan 8.230 nan 0.000 0.414 149 T N -0.786 113.780 114.554 0.020 0.000 2.849 149 T HA -0.115 4.254 4.350 0.031 0.000 0.270 149 T C 1.387 176.079 174.700 -0.013 0.000 1.066 149 T CA 1.341 63.444 62.100 0.005 0.000 1.130 149 T CB -0.081 68.792 68.868 0.009 0.000 0.864 149 T HN 0.458 nan 8.240 nan 0.000 0.481 150 N N 0.560 119.249 118.700 -0.017 0.000 2.204 150 N HA 0.185 4.944 4.740 0.031 0.000 0.219 150 N C -0.136 175.346 175.510 -0.047 0.000 1.151 150 N CA -0.219 52.815 53.050 -0.027 0.000 0.867 150 N CB 0.282 38.761 38.487 -0.015 0.000 1.043 150 N HN 0.273 nan 8.380 nan 0.000 0.516 151 L N 1.588 122.770 121.223 -0.069 0.000 2.525 151 L HA -0.064 4.294 4.340 0.031 0.000 0.278 151 L C 1.262 178.060 176.870 -0.120 0.000 1.218 151 L CA 1.110 55.881 54.840 -0.115 0.000 0.878 151 L CB 0.625 42.577 42.059 -0.178 0.000 1.127 151 L HN 0.112 nan 8.230 nan 0.000 0.492 152 Q N 1.205 120.935 119.800 -0.117 0.000 2.384 152 Q HA 0.235 4.594 4.340 0.031 0.000 0.264 152 Q C -0.440 175.484 176.000 -0.126 0.000 0.825 152 Q CA 0.176 55.917 55.803 -0.103 0.000 0.984 152 Q CB 0.920 29.630 28.738 -0.046 0.000 1.183 152 Q HN 0.693 nan 8.270 nan 0.000 0.537 153 T N 1.484 115.949 114.554 -0.149 0.000 2.881 153 T HA 0.546 4.915 4.350 0.031 0.000 0.291 153 T C -1.674 172.784 174.700 -0.404 0.000 0.990 153 T CA -0.401 61.575 62.100 -0.206 0.000 0.976 153 T CB 1.633 70.482 68.868 -0.032 0.000 0.970 153 T HN -0.037 nan 8.240 nan 0.000 0.438 154 L N 3.796 124.771 121.223 -0.413 0.000 2.409 154 L HA 0.694 5.053 4.340 0.031 0.000 0.272 154 L C -1.100 175.536 176.870 -0.391 0.000 0.980 154 L CA -0.495 54.051 54.840 -0.490 0.000 0.826 154 L CB 1.514 43.242 42.059 -0.551 0.000 1.268 154 L HN 0.555 nan 8.230 nan 0.000 0.407 155 R N 6.557 126.835 120.500 -0.370 0.000 2.532 155 R HA 0.806 5.164 4.340 0.031 0.000 0.297 155 R C -1.063 175.135 176.300 -0.170 0.000 0.984 155 R CA -0.657 55.294 56.100 -0.249 0.000 0.884 155 R CB 1.991 32.149 30.300 -0.236 0.000 1.182 155 R HN 0.800 nan 8.270 nan 0.000 0.442 156 I N -1.665 118.829 120.570 -0.128 0.000 3.074 156 I HA 0.930 5.118 4.170 0.031 0.000 0.310 156 I C -0.005 175.951 176.117 -0.267 0.000 1.153 156 I CA -0.756 60.485 61.300 -0.097 0.000 0.993 156 I CB 2.620 40.592 38.000 -0.047 0.000 1.237 156 I HN 0.709 nan 8.210 nan 0.000 0.443 157 G N 2.714 111.266 108.800 -0.415 0.000 2.422 157 G HA2 0.219 4.198 3.960 0.031 0.000 0.607 157 G HA3 0.219 4.198 3.960 0.031 0.000 0.607 157 G C -1.558 173.100 174.900 -0.403 0.000 1.270 157 G CA -0.264 44.434 45.100 -0.670 0.000 0.992 157 G HN 1.831 nan 8.290 nan 0.000 0.499 158 N N -3.580 114.975 118.700 -0.241 0.000 3.356 158 N HA 0.494 5.253 4.740 0.031 0.000 0.246 158 N C 0.432 175.896 175.510 -0.076 0.000 1.480 158 N CA 0.076 53.017 53.050 -0.182 0.000 0.877 158 N CB 0.818 39.167 38.487 -0.230 0.000 1.431 158 N HN 0.972 nan 8.380 nan 0.000 0.500 159 V N -0.224 119.650 119.914 -0.067 0.000 2.407 159 V HA -0.061 4.077 4.120 0.031 0.000 0.245 159 V C 1.440 177.544 176.094 0.017 0.000 1.041 159 V CA 2.247 64.533 62.300 -0.024 0.000 1.040 159 V CB -0.888 30.918 31.823 -0.028 0.000 0.671 159 V HN 0.891 nan 8.190 nan 0.000 0.455 160 E N -1.829 118.378 120.200 0.012 0.000 2.641 160 E HA 0.089 4.458 4.350 0.031 0.000 0.224 160 E C 1.369 177.989 176.600 0.034 0.000 0.951 160 E CA 0.582 56.998 56.400 0.027 0.000 1.102 160 E CB 0.455 30.164 29.700 0.014 0.000 1.091 160 E HN 0.438 nan 8.360 nan 0.000 0.507 161 T N 0.464 115.041 114.554 0.037 0.000 3.056 161 T HA 0.107 4.476 4.350 0.031 0.000 0.241 161 T C 0.060 174.823 174.700 0.105 0.000 1.006 161 T CA -0.292 61.837 62.100 0.049 0.000 1.115 161 T CB -0.153 68.727 68.868 0.020 0.000 0.939 161 T HN 0.124 nan 8.240 nan 0.000 0.462 162 F N 4.138 124.069 119.950 -0.033 0.000 2.571 162 F HA 0.195 4.741 4.527 0.032 0.000 0.390 162 F C 1.189 177.017 175.800 0.047 0.000 1.043 162 F CA -0.577 57.442 58.000 0.032 0.000 1.164 162 F CB 0.428 39.445 39.000 0.028 0.000 1.049 162 F HN 0.083 nan 8.300 nan 0.000 0.552 163 S N 2.590 118.050 115.700 -0.400 0.000 2.728 163 S HA 0.328 4.817 4.470 0.031 0.000 0.257 163 S C -0.241 174.131 174.600 -0.379 0.000 1.060 163 S CA -0.497 57.529 58.200 -0.289 0.000 1.126 163 S CB 0.129 63.262 63.200 -0.112 0.000 1.099 163 S HN 0.558 nan 8.310 nan 0.000 0.617 164 E N 0.858 120.701 120.200 -0.594 0.000 2.314 164 E HA 0.543 4.912 4.350 0.031 0.000 0.272 164 E C -1.507 174.819 176.600 -0.457 0.000 0.884 164 E CA -0.462 55.682 56.400 -0.426 0.000 0.753 164 E CB 2.543 32.077 29.700 -0.276 0.000 1.213 164 E HN 0.301 nan 8.360 nan 0.000 0.432 165 I N 2.573 122.984 120.570 -0.265 0.000 2.447 165 I HA 0.384 4.573 4.170 0.031 0.000 0.287 165 I C -0.029 175.956 176.117 -0.219 0.000 1.023 165 I CA -0.515 60.712 61.300 -0.122 0.000 1.083 165 I CB 1.597 39.690 38.000 0.155 0.000 1.245 165 I HN 0.181 nan 8.210 nan 0.000 0.434 166 R N 4.403 124.770 120.500 -0.222 0.000 2.902 166 R HA 0.540 4.899 4.340 0.031 0.000 0.258 166 R C 0.686 176.856 176.300 -0.217 0.000 1.071 166 R CA -0.888 55.072 56.100 -0.233 0.000 1.024 166 R CB 1.570 31.753 30.300 -0.194 0.000 1.184 166 R HN 0.502 nan 8.270 nan 0.000 0.492 167 R N 0.677 121.070 120.500 -0.180 0.000 2.152 167 R HA -0.081 4.277 4.340 0.031 0.000 0.232 167 R C 1.964 178.208 176.300 -0.094 0.000 1.117 167 R CA 1.478 57.507 56.100 -0.118 0.000 0.981 167 R CB -0.371 29.871 30.300 -0.096 0.000 0.870 167 R HN 0.599 nan 8.270 nan 0.000 0.451 168 I N -2.323 118.170 120.570 -0.128 0.000 3.419 168 I HA 0.045 4.234 4.170 0.031 0.000 0.286 168 I C 0.642 176.652 176.117 -0.179 0.000 1.268 168 I CA 0.749 61.977 61.300 -0.121 0.000 1.414 168 I CB -0.037 37.890 38.000 -0.121 0.000 1.074 168 I HN -0.201 nan 8.210 nan 0.000 0.457 169 D N 2.175 122.398 120.400 -0.296 0.000 2.133 169 D HA -0.171 4.488 4.640 0.031 0.000 0.195 169 D C 1.217 177.200 176.300 -0.528 0.000 0.997 169 D CA 1.943 55.626 54.000 -0.527 0.000 0.840 169 D CB -0.202 40.104 40.800 -0.823 0.000 0.947 169 D HN 0.528 nan 8.370 nan 0.000 0.452 170 F N -0.134 119.871 119.950 0.092 0.000 2.654 170 F HA 0.470 5.016 4.527 0.033 0.000 0.303 170 F C 0.659 176.506 175.800 0.079 0.000 1.099 170 F CA -0.907 57.171 58.000 0.131 0.000 1.270 170 F CB -0.460 38.592 39.000 0.086 0.000 1.024 170 F HN -0.214 nan 8.300 nan 0.000 0.548 171 A N 0.473 123.374 122.820 0.136 0.000 2.548 171 A HA 0.430 4.768 4.320 0.031 0.000 0.247 171 A C 1.493 179.135 177.584 0.097 0.000 1.067 171 A CA 1.169 53.258 52.037 0.087 0.000 0.757 171 A CB -0.635 18.378 19.000 0.022 0.000 0.996 171 A HN 0.982 nan 8.150 nan 0.000 0.504 172 G N 1.438 110.287 108.800 0.083 0.000 2.424 172 G HA2 -0.185 3.794 3.960 0.031 0.000 0.207 172 G HA3 -0.185 3.794 3.960 0.031 0.000 0.207 172 G C 0.241 175.183 174.900 0.070 0.000 1.061 172 G CA -0.064 45.079 45.100 0.072 0.000 0.657 172 G HN 0.860 nan 8.290 nan 0.000 0.508 173 L N 2.328 123.609 121.223 0.097 0.000 2.410 173 L HA 0.430 4.789 4.340 0.031 0.000 0.273 173 L C 1.941 178.819 176.870 0.012 0.000 1.152 173 L CA 0.878 55.745 54.840 0.045 0.000 0.855 173 L CB 1.173 43.255 42.059 0.039 0.000 1.129 173 L HN 0.556 nan 8.230 nan 0.000 0.463 174 T N -2.612 111.931 114.554 -0.018 0.000 2.987 174 T HA 0.073 4.442 4.350 0.031 0.000 0.248 174 T C 0.623 175.287 174.700 -0.058 0.000 0.997 174 T CA -0.076 62.008 62.100 -0.026 0.000 1.013 174 T CB 0.595 69.453 68.868 -0.017 0.000 1.077 174 T HN 0.406 nan 8.240 nan 0.000 0.483 175 S N 0.161 115.812 115.700 -0.082 0.000 2.547 175 S HA 0.758 5.247 4.470 0.031 0.000 0.281 175 S C -2.068 172.438 174.600 -0.155 0.000 1.118 175 S CA -0.668 57.459 58.200 -0.123 0.000 0.947 175 S CB 1.433 64.562 63.200 -0.118 0.000 1.053 175 S HN 0.304 nan 8.310 nan 0.000 0.482 176 L N 4.510 125.615 121.223 -0.197 0.000 2.482 176 L HA 0.577 4.935 4.340 0.031 0.000 0.263 176 L C 0.659 177.398 176.870 -0.218 0.000 0.957 176 L CA -0.339 54.380 54.840 -0.203 0.000 0.836 176 L CB 2.109 44.037 42.059 -0.219 0.000 1.324 176 L HN 0.715 nan 8.230 nan 0.000 0.406 177 N N 1.194 119.792 118.700 -0.169 0.000 2.173 177 N HA 0.055 4.814 4.740 0.031 0.000 0.184 177 N C -0.513 174.987 175.510 -0.017 0.000 1.025 177 N CA 0.838 53.839 53.050 -0.082 0.000 0.852 177 N CB 0.490 38.971 38.487 -0.010 0.000 0.998 177 N HN 0.566 nan 8.380 nan 0.000 0.427 178 E N 0.345 120.489 120.200 -0.092 0.000 2.260 178 E HA 0.301 4.670 4.350 0.031 0.000 0.266 178 E C -1.488 174.966 176.600 -0.243 0.000 0.887 178 E CA -0.525 55.783 56.400 -0.155 0.000 0.777 178 E CB 2.407 32.020 29.700 -0.144 0.000 1.205 178 E HN -0.077 nan 8.360 nan 0.000 0.414 179 L N 2.869 123.922 121.223 -0.284 0.000 2.376 179 L HA 0.423 4.782 4.340 0.031 0.000 0.275 179 L C -1.063 175.626 176.870 -0.302 0.000 0.987 179 L CA -0.288 54.363 54.840 -0.315 0.000 0.828 179 L CB 1.647 43.492 42.059 -0.357 0.000 1.249 179 L HN 0.553 nan 8.230 nan 0.000 0.409 180 E N 5.386 125.433 120.200 -0.255 0.000 2.199 180 E HA 0.577 4.946 4.350 0.031 0.000 0.265 180 E C -1.575 174.964 176.600 -0.101 0.000 0.882 180 E CA -0.544 55.747 56.400 -0.181 0.000 0.759 180 E CB 1.353 30.960 29.700 -0.155 0.000 1.148 180 E HN 0.695 nan 8.360 nan 0.000 0.412 181 I N 4.634 125.190 120.570 -0.023 0.000 2.411 181 I HA 0.273 4.462 4.170 0.031 0.000 0.284 181 I C -0.411 175.778 176.117 0.120 0.000 1.012 181 I CA -0.743 60.574 61.300 0.029 0.000 1.119 181 I CB 1.680 39.745 38.000 0.108 0.000 1.261 181 I HN 0.353 nan 8.210 nan 0.000 0.448 182 K N 5.926 126.323 120.400 -0.005 0.000 2.268 182 K HA 0.681 5.020 4.320 0.031 0.000 0.276 182 K C -0.259 176.404 176.600 0.105 0.000 1.080 182 K CA -0.260 56.015 56.287 -0.021 0.000 0.910 182 K CB 0.964 33.281 32.500 -0.306 0.000 1.163 182 K HN 0.763 nan 8.250 nan 0.000 0.465 183 A N 6.042 129.009 122.820 0.246 0.000 3.308 183 A HA 0.246 4.585 4.320 0.031 0.000 0.275 183 A C 0.392 178.110 177.584 0.224 0.000 0.950 183 A CA -0.495 51.757 52.037 0.358 0.000 0.987 183 A CB -0.062 19.199 19.000 0.435 0.000 1.146 183 A HN 0.878 nan 8.150 nan 0.000 0.488 184 L N -0.410 120.912 121.223 0.166 0.000 2.549 184 L HA -0.030 4.329 4.340 0.031 0.000 0.229 184 L C 1.499 178.442 176.870 0.121 0.000 1.158 184 L CA 1.072 55.993 54.840 0.134 0.000 0.842 184 L CB 0.184 42.301 42.059 0.096 0.000 0.952 184 L HN 0.467 nan 8.230 nan 0.000 0.452 185 S N -0.487 115.288 115.700 0.126 0.000 2.663 185 S HA 0.209 4.698 4.470 0.031 0.000 0.243 185 S C 0.251 174.906 174.600 0.093 0.000 1.009 185 S CA -0.541 57.719 58.200 0.099 0.000 0.988 185 S CB 0.175 63.421 63.200 0.077 0.000 0.896 185 S HN 0.078 nan 8.310 nan 0.000 0.502 186 L N 2.969 124.263 121.223 0.119 0.000 2.601 186 L HA 0.068 4.427 4.340 0.031 0.000 0.277 186 L C 1.112 178.067 176.870 0.142 0.000 1.219 186 L CA 1.021 55.910 54.840 0.082 0.000 0.915 186 L CB 0.324 42.460 42.059 0.129 0.000 1.160 186 L HN 0.129 nan 8.230 nan 0.000 0.494 187 R N 2.361 122.895 120.500 0.057 0.000 2.316 187 R HA 0.250 4.609 4.340 0.031 0.000 0.201 187 R C -0.127 176.262 176.300 0.148 0.000 0.888 187 R CA -0.040 56.147 56.100 0.146 0.000 1.041 187 R CB 0.372 30.707 30.300 0.058 0.000 1.115 187 R HN 0.719 nan 8.270 nan 0.000 0.559 188 N N -0.401 118.173 118.700 -0.211 0.000 2.371 188 N HA 0.124 4.883 4.740 0.031 0.000 0.280 188 N C -2.213 172.887 175.510 -0.684 0.000 1.084 188 N CA -0.625 52.134 53.050 -0.484 0.000 0.892 188 N CB 1.553 39.940 38.487 -0.167 0.000 1.653 188 N HN -0.058 nan 8.380 nan 0.000 0.480 189 Y N 2.098 121.750 120.300 -1.079 0.000 2.326 189 Y HA 0.412 4.981 4.550 0.032 0.000 0.329 189 Y C -0.885 174.862 175.900 -0.255 0.000 0.973 189 Y CA -0.533 57.216 58.100 -0.585 0.000 1.162 189 Y CB 1.125 39.248 38.460 -0.561 0.000 1.147 189 Y HN 0.433 nan 8.280 nan 0.000 0.456 190 Q N 3.389 122.752 119.800 -0.729 0.000 2.327 190 Q HA 0.297 4.656 4.340 0.031 0.000 0.254 190 Q C -0.140 175.455 176.000 -0.674 0.000 0.952 190 Q CA -0.389 55.105 55.803 -0.515 0.000 0.884 190 Q CB 1.075 29.594 28.738 -0.365 0.000 1.224 190 Q HN 0.722 nan 8.270 nan 0.000 0.422 191 S N 2.301 117.848 115.700 -0.255 0.000 2.549 191 S HA -0.027 4.462 4.470 0.031 0.000 0.286 191 S C 0.380 174.921 174.600 -0.099 0.000 1.314 191 S CA -0.079 58.068 58.200 -0.088 0.000 1.062 191 S CB 0.539 63.744 63.200 0.008 0.000 0.865 191 S HN 0.727 nan 8.310 nan 0.000 0.498 192 Q N 0.556 120.365 119.800 0.015 0.000 2.424 192 Q HA -0.194 4.165 4.340 0.031 0.000 0.234 192 Q C 1.337 177.352 176.000 0.026 0.000 0.748 192 Q CA 0.973 56.801 55.803 0.043 0.000 1.286 192 Q CB -2.116 26.633 28.738 0.018 0.000 1.494 192 Q HN 0.654 nan 8.270 nan 0.000 0.683 193 S N -0.553 115.099 115.700 -0.080 0.000 2.370 193 S HA -0.103 4.386 4.470 0.031 0.000 0.226 193 S C 1.295 176.048 174.600 0.255 0.000 1.033 193 S CA 1.294 59.489 58.200 -0.008 0.000 1.011 193 S CB 0.027 63.104 63.200 -0.205 0.000 0.852 193 S HN 0.306 nan 8.310 nan 0.000 0.457 194 L N 1.259 122.673 121.223 0.319 0.000 2.375 194 L HA 0.229 4.588 4.340 0.031 0.000 0.215 194 L C 2.030 178.969 176.870 0.115 0.000 1.108 194 L CA 1.185 56.161 54.840 0.226 0.000 0.830 194 L CB -0.919 41.245 42.059 0.176 0.000 0.959 194 L HN 0.217 nan 8.230 nan 0.000 0.457 195 K N -0.075 120.394 120.400 0.116 0.000 2.209 195 K HA -0.151 4.188 4.320 0.031 0.000 0.204 195 K C 2.138 178.770 176.600 0.053 0.000 1.048 195 K CA 1.378 57.707 56.287 0.070 0.000 0.940 195 K CB 0.253 32.794 32.500 0.067 0.000 0.729 195 K HN 0.417 nan 8.250 nan 0.000 0.451 196 S N 0.439 116.180 115.700 0.068 0.000 2.419 196 S HA -0.076 4.413 4.470 0.031 0.000 0.233 196 S C 0.970 175.593 174.600 0.038 0.000 1.016 196 S CA 0.415 58.649 58.200 0.056 0.000 0.974 196 S CB -0.459 62.787 63.200 0.076 0.000 0.786 196 S HN 0.174 nan 8.310 nan 0.000 0.492 197 I N 2.037 122.622 120.570 0.025 0.000 2.441 197 I HA 0.245 4.434 4.170 0.031 0.000 0.287 197 I C 1.523 177.626 176.117 -0.024 0.000 1.049 197 I CA -0.380 60.908 61.300 -0.020 0.000 1.381 197 I CB 0.868 38.818 38.000 -0.083 0.000 1.409 197 I HN 0.105 nan 8.210 nan 0.000 0.523 198 R N 2.534 123.019 120.500 -0.026 0.000 2.237 198 R HA 0.132 4.491 4.340 0.031 0.000 0.195 198 R C -0.436 175.847 176.300 -0.028 0.000 0.956 198 R CA 0.336 56.425 56.100 -0.018 0.000 1.029 198 R CB 0.180 30.475 30.300 -0.009 0.000 0.972 198 R HN 0.584 nan 8.270 nan 0.000 0.493 199 D N 0.280 120.646 120.400 -0.057 0.000 2.476 199 D HA 0.352 5.011 4.640 0.031 0.000 0.251 199 D C -1.340 174.890 176.300 -0.117 0.000 1.291 199 D CA -0.218 53.740 54.000 -0.070 0.000 0.939 199 D CB 1.260 42.003 40.800 -0.095 0.000 1.221 199 D HN -0.069 nan 8.370 nan 0.000 0.567 200 I N 3.250 123.779 120.570 -0.069 0.000 2.448 200 I HA 0.199 4.388 4.170 0.031 0.000 0.281 200 I C 1.023 177.173 176.117 0.054 0.000 1.027 200 I CA -0.487 60.767 61.300 -0.078 0.000 1.111 200 I CB 1.419 39.352 38.000 -0.112 0.000 1.236 200 I HN 0.557 nan 8.210 nan 0.000 0.452 201 H N 3.625 122.680 119.070 -0.025 0.000 2.357 201 H HA -0.036 4.540 4.556 0.033 0.000 0.301 201 H C 0.404 175.773 175.328 0.069 0.000 1.082 201 H CA 0.949 57.007 56.048 0.017 0.000 1.342 201 H CB 0.421 30.197 29.762 0.024 0.000 1.389 201 H HN 0.509 nan 8.280 nan 0.000 0.511 202 H N -0.194 118.891 119.070 0.026 0.000 3.013 202 H HA 0.282 4.857 4.556 0.032 0.000 0.326 202 H C -1.672 173.513 175.328 -0.238 0.000 0.973 202 H CA -0.989 54.976 56.048 -0.138 0.000 1.369 202 H CB 1.035 30.718 29.762 -0.131 0.000 1.598 202 H HN 0.034 nan 8.280 nan 0.000 0.518 203 L N 5.283 126.473 121.223 -0.056 0.000 2.305 203 L HA 0.405 4.764 4.340 0.031 0.000 0.284 203 L C -0.914 175.784 176.870 -0.286 0.000 1.013 203 L CA -0.067 54.640 54.840 -0.221 0.000 0.819 203 L CB 1.699 43.633 42.059 -0.209 0.000 1.227 203 L HN 0.561 nan 8.230 nan 0.000 0.417 204 T N 6.677 121.014 114.554 -0.362 0.000 2.772 204 T HA 0.572 4.941 4.350 0.031 0.000 0.288 204 T C -0.370 174.166 174.700 -0.273 0.000 0.994 204 T CA -0.235 61.649 62.100 -0.360 0.000 0.951 204 T CB 0.591 69.212 68.868 -0.411 0.000 0.933 204 T HN 0.421 nan 8.240 nan 0.000 0.447 205 L N 4.096 125.156 121.223 -0.270 0.000 2.333 205 L HA 0.451 4.810 4.340 0.031 0.000 0.280 205 L C 0.082 176.848 176.870 -0.173 0.000 1.004 205 L CA -0.932 53.819 54.840 -0.148 0.000 0.820 205 L CB 1.288 43.274 42.059 -0.122 0.000 1.247 205 L HN 0.603 nan 8.230 nan 0.000 0.416 206 H N 5.613 124.672 119.070 -0.018 0.000 2.685 206 H HA 0.434 5.009 4.556 0.031 0.000 0.286 206 H C -0.707 174.652 175.328 0.052 0.000 1.102 206 H CA -0.356 55.699 56.048 0.011 0.000 1.254 206 H CB 1.295 31.063 29.762 0.011 0.000 1.397 206 H HN 0.352 nan 8.280 nan 0.000 0.473 207 L N 1.644 122.950 121.223 0.138 0.000 2.346 207 L HA 0.161 4.520 4.340 0.031 0.000 0.274 207 L C 1.322 178.272 176.870 0.132 0.000 1.007 207 L CA -0.442 54.483 54.840 0.141 0.000 0.818 207 L CB 2.165 44.298 42.059 0.123 0.000 1.284 207 L HN 0.510 nan 8.230 nan 0.000 0.424 208 S N 0.191 115.971 115.700 0.133 0.000 2.475 208 S HA 0.206 4.695 4.470 0.031 0.000 0.224 208 S C 0.435 175.098 174.600 0.105 0.000 1.042 208 S CA -0.219 58.048 58.200 0.112 0.000 0.935 208 S CB 0.257 63.518 63.200 0.102 0.000 0.801 208 S HN 0.691 nan 8.310 nan 0.000 0.509 209 E N 0.696 120.966 120.200 0.116 0.000 2.355 209 E HA 0.510 4.879 4.350 0.031 0.000 0.261 209 E C -0.117 176.552 176.600 0.116 0.000 0.943 209 E CA -0.134 56.326 56.400 0.100 0.000 0.806 209 E CB 1.782 31.530 29.700 0.079 0.000 1.286 209 E HN 0.271 nan 8.360 nan 0.000 0.424 210 S N -0.446 115.318 115.700 0.107 0.000 2.539 210 S HA 0.183 4.671 4.470 0.031 0.000 0.221 210 S C 1.709 176.372 174.600 0.105 0.000 0.987 210 S CA 0.279 58.572 58.200 0.155 0.000 0.929 210 S CB 0.299 63.644 63.200 0.241 0.000 0.832 210 S HN 0.541 nan 8.310 nan 0.000 0.492 211 A N 1.480 124.268 122.820 -0.053 0.000 1.971 211 A HA -0.059 4.279 4.320 0.031 0.000 0.222 211 A C 1.445 178.775 177.584 -0.422 0.000 1.182 211 A CA 1.701 53.551 52.037 -0.311 0.000 0.649 211 A CB -0.969 17.690 19.000 -0.568 0.000 0.818 211 A HN 0.692 nan 8.150 nan 0.000 0.458 212 F N -2.188 117.828 119.950 0.109 0.000 2.678 212 F HA 0.251 4.797 4.527 0.031 0.000 0.305 212 F C 1.520 177.356 175.800 0.060 0.000 1.090 212 F CA -0.183 57.869 58.000 0.088 0.000 1.272 212 F CB 0.165 39.207 39.000 0.069 0.000 1.060 212 F HN 0.171 nan 8.300 nan 0.000 0.576 213 L N 0.710 122.088 121.223 0.259 0.000 1.989 213 L HA -0.197 4.162 4.340 0.031 0.000 0.211 213 L C 2.274 179.377 176.870 0.390 0.000 1.071 213 L CA 1.750 56.760 54.840 0.283 0.000 0.749 213 L CB -0.739 41.492 42.059 0.285 0.000 0.890 213 L HN 0.283 nan 8.230 nan 0.000 0.431 214 L N -0.836 120.640 121.223 0.422 0.000 2.013 214 L HA -0.293 4.066 4.340 0.031 0.000 0.212 214 L C 2.544 179.571 176.870 0.263 0.000 1.073 214 L CA 1.940 56.992 54.840 0.354 0.000 0.753 214 L CB -0.262 41.894 42.059 0.161 0.000 0.890 214 L HN 0.406 nan 8.230 nan 0.000 0.432 215 E N 0.300 120.634 120.200 0.224 0.000 2.077 215 E HA -0.217 4.152 4.350 0.031 0.000 0.193 215 E C 1.988 178.694 176.600 0.177 0.000 0.989 215 E CA 1.566 58.101 56.400 0.226 0.000 0.800 215 E CB -0.270 29.635 29.700 0.343 0.000 0.746 215 E HN 0.585 nan 8.360 nan 0.000 0.452 216 I N -0.280 120.290 120.570 0.000 0.000 2.361 216 I HA -0.224 3.965 4.170 0.031 0.000 0.251 216 I C 1.717 177.813 176.117 -0.035 0.000 1.133 216 I CA 0.682 61.862 61.300 -0.200 0.000 1.413 216 I CB -0.199 37.574 38.000 -0.379 0.000 1.073 216 I HN 0.120 nan 8.210 nan 0.000 0.424 217 F N 0.917 120.867 119.950 0.000 0.000 2.171 217 F HA -0.207 4.338 4.527 0.031 0.000 0.300 217 F C 2.566 178.374 175.800 0.012 0.000 1.090 217 F CA 1.424 59.437 58.000 0.020 0.000 1.293 217 F CB -0.359 38.684 39.000 0.072 0.000 1.013 217 F HN 0.004 nan 8.300 nan 0.000 0.486 218 A N -0.749 122.193 122.820 0.203 0.000 2.019 218 A HA -0.180 4.159 4.320 0.031 0.000 0.219 218 A C 1.645 179.281 177.584 0.088 0.000 1.164 218 A CA 2.013 54.114 52.037 0.106 0.000 0.644 218 A CB -0.553 18.501 19.000 0.089 0.000 0.805 218 A HN 0.336 nan 8.150 nan 0.000 0.449 219 D N -0.836 119.623 120.400 0.098 0.000 2.369 219 D HA 0.131 4.790 4.640 0.031 0.000 0.211 219 D C 1.406 177.724 176.300 0.030 0.000 1.077 219 D CA 0.777 54.830 54.000 0.089 0.000 0.842 219 D CB 0.225 41.130 40.800 0.175 0.000 0.947 219 D HN 0.764 nan 8.370 nan 0.000 0.509 220 I N -3.139 117.416 120.570 -0.025 0.000 4.227 220 I HA 0.159 4.348 4.170 0.031 0.000 0.334 220 I C 1.608 177.695 176.117 -0.050 0.000 1.341 220 I CA -0.142 61.111 61.300 -0.080 0.000 1.123 220 I CB 0.016 37.898 38.000 -0.198 0.000 1.097 220 I HN -0.245 nan 8.210 nan 0.000 0.399 221 L N 1.866 123.095 121.223 0.009 0.000 2.447 221 L HA -0.067 4.292 4.340 0.031 0.000 0.225 221 L C 1.601 178.509 176.870 0.063 0.000 1.148 221 L CA 1.490 56.372 54.840 0.070 0.000 0.808 221 L CB -0.286 41.850 42.059 0.128 0.000 0.928 221 L HN 0.594 nan 8.230 nan 0.000 0.448 222 S N -3.897 111.827 115.700 0.040 0.000 2.711 222 S HA 0.204 4.693 4.470 0.031 0.000 0.247 222 S C 0.696 175.310 174.600 0.023 0.000 1.079 222 S CA 0.056 58.280 58.200 0.040 0.000 1.050 222 S CB 1.062 64.288 63.200 0.043 0.000 0.885 222 S HN 0.192 nan 8.310 nan 0.000 0.498 223 S N 0.034 115.740 115.700 0.010 0.000 3.102 223 S HA 0.286 4.775 4.470 0.031 0.000 0.265 223 S C -0.098 174.501 174.600 -0.002 0.000 1.072 223 S CA 0.215 58.414 58.200 -0.003 0.000 0.946 223 S CB 0.012 63.197 63.200 -0.025 0.000 0.901 223 S HN 0.283 nan 8.310 nan 0.000 0.437 224 V N 4.124 124.023 119.914 -0.024 0.000 2.508 224 V HA 0.401 4.540 4.120 0.031 0.000 0.281 224 V C 1.146 177.248 176.094 0.014 0.000 1.041 224 V CA 0.114 62.399 62.300 -0.026 0.000 1.016 224 V CB 1.171 32.936 31.823 -0.096 0.000 0.984 224 V HN 0.336 nan 8.190 nan 0.000 0.478 225 R N 3.025 123.558 120.500 0.054 0.000 2.075 225 R HA 0.168 4.527 4.340 0.031 0.000 0.220 225 R C 0.302 176.643 176.300 0.069 0.000 1.118 225 R CA 0.827 56.955 56.100 0.047 0.000 0.986 225 R CB 0.129 30.448 30.300 0.032 0.000 0.884 225 R HN 0.759 nan 8.270 nan 0.000 0.439 226 Y N 0.709 120.952 120.300 -0.095 0.000 2.326 226 Y HA 0.431 5.000 4.550 0.032 0.000 0.329 226 Y C -1.546 174.280 175.900 -0.124 0.000 0.973 226 Y CA -1.801 56.204 58.100 -0.159 0.000 1.162 226 Y CB 1.133 39.425 38.460 -0.280 0.000 1.147 226 Y HN -0.107 nan 8.280 nan 0.000 0.456 227 L N 6.326 127.604 121.223 0.091 0.000 2.317 227 L HA 0.511 4.870 4.340 0.031 0.000 0.281 227 L C -1.163 175.572 176.870 -0.226 0.000 1.024 227 L CA -0.243 54.497 54.840 -0.166 0.000 0.810 227 L CB 1.736 43.652 42.059 -0.239 0.000 1.240 227 L HN 0.766 nan 8.230 nan 0.000 0.427 228 E N 4.932 124.931 120.200 -0.336 0.000 2.244 228 E HA 0.400 4.769 4.350 0.031 0.000 0.260 228 E C -1.783 174.621 176.600 -0.326 0.000 0.884 228 E CA -0.522 55.689 56.400 -0.315 0.000 0.777 228 E CB 1.272 30.782 29.700 -0.316 0.000 1.197 228 E HN 0.691 nan 8.360 nan 0.000 0.416 229 L N 4.611 125.623 121.223 -0.351 0.000 2.282 229 L HA 0.564 4.923 4.340 0.031 0.000 0.288 229 L C 0.094 176.873 176.870 -0.153 0.000 1.033 229 L CA -0.635 54.053 54.840 -0.255 0.000 0.807 229 L CB 1.298 43.212 42.059 -0.242 0.000 1.209 229 L HN 0.398 nan 8.230 nan 0.000 0.423 230 R N 2.601 123.008 120.500 -0.155 0.000 2.637 230 R HA 0.276 4.635 4.340 0.031 0.000 0.291 230 R C -0.584 175.741 176.300 0.041 0.000 0.963 230 R CA -0.870 55.183 56.100 -0.078 0.000 0.901 230 R CB 1.577 31.748 30.300 -0.216 0.000 1.160 230 R HN 0.633 nan 8.270 nan 0.000 0.457 231 D N 0.489 120.941 120.400 0.087 0.000 2.792 231 D HA -0.141 4.518 4.640 0.031 0.000 0.231 231 D C -0.690 175.674 176.300 0.108 0.000 1.160 231 D CA 1.398 55.462 54.000 0.107 0.000 0.697 231 D CB -1.040 39.833 40.800 0.121 0.000 1.070 231 D HN 0.512 nan 8.370 nan 0.000 0.426 232 T N 1.207 115.829 114.554 0.115 0.000 2.771 232 T HA 0.160 4.529 4.350 0.031 0.000 0.291 232 T C 0.563 175.330 174.700 0.111 0.000 0.954 232 T CA -0.650 61.520 62.100 0.117 0.000 1.045 232 T CB 1.537 70.482 68.868 0.129 0.000 0.917 232 T HN 0.046 nan 8.240 nan 0.000 0.484 233 N N 3.654 122.410 118.700 0.095 0.000 2.415 233 N HA 0.144 4.903 4.740 0.031 0.000 0.246 233 N C 0.066 175.626 175.510 0.083 0.000 1.078 233 N CA -0.261 52.837 53.050 0.079 0.000 0.942 233 N CB 0.388 38.916 38.487 0.067 0.000 1.140 233 N HN 0.571 nan 8.380 nan 0.000 0.501 234 L N 2.904 124.170 121.223 0.072 0.000 2.741 234 L HA 0.247 4.606 4.340 0.031 0.000 0.237 234 L C 2.006 178.930 176.870 0.090 0.000 1.178 234 L CA -0.208 54.681 54.840 0.081 0.000 0.973 234 L CB 0.002 42.062 42.059 0.001 0.000 1.255 234 L HN 0.487 nan 8.230 nan 0.000 0.498 235 A N 0.854 123.710 122.820 0.061 0.000 1.948 235 A HA -0.157 4.181 4.320 0.031 0.000 0.220 235 A C 2.047 179.656 177.584 0.041 0.000 1.177 235 A CA 1.451 53.510 52.037 0.036 0.000 0.636 235 A CB -0.239 18.775 19.000 0.022 0.000 0.815 235 A HN 0.467 nan 8.150 nan 0.000 0.449 236 R N -1.837 118.701 120.500 0.063 0.000 2.609 236 R HA 0.261 4.620 4.340 0.031 0.000 0.326 236 R C -0.639 175.707 176.300 0.077 0.000 1.090 236 R CA -0.480 55.646 56.100 0.044 0.000 1.072 236 R CB -0.053 30.259 30.300 0.021 0.000 1.330 236 R HN 0.455 nan 8.270 nan 0.000 0.572 237 F N 1.879 121.818 119.950 -0.019 0.000 2.412 237 F HA 0.189 4.736 4.527 0.033 0.000 0.348 237 F C -0.168 175.633 175.800 0.002 0.000 1.102 237 F CA 0.051 58.049 58.000 -0.002 0.000 1.196 237 F CB 0.745 39.751 39.000 0.011 0.000 1.144 237 F HN -0.049 nan 8.300 nan 0.000 0.541 238 Q N 5.951 125.203 119.800 -0.914 0.000 2.347 238 Q HA 0.283 4.642 4.340 0.031 0.000 0.271 238 Q C -1.387 174.105 176.000 -0.848 0.000 1.064 238 Q CA -0.998 54.427 55.803 -0.629 0.000 0.800 238 Q CB 2.796 31.363 28.738 -0.285 0.000 1.304 238 Q HN 0.721 nan 8.270 nan 0.000 0.438 239 F N 0.990 120.631 119.950 -0.514 0.000 2.380 239 F HA 0.568 5.114 4.527 0.032 0.000 0.325 239 F C -0.246 175.465 175.800 -0.148 0.000 1.136 239 F CA 0.217 58.047 58.000 -0.283 0.000 1.171 239 F CB 1.365 40.348 39.000 -0.028 0.000 1.230 239 F HN 0.421 nan 8.300 nan 0.000 0.554 240 S N 3.801 118.670 115.700 -1.386 0.000 2.542 240 S HA 0.428 4.917 4.470 0.031 0.000 0.276 240 S C -2.937 170.961 174.600 -1.171 0.000 1.148 240 S CA -1.128 56.517 58.200 -0.926 0.000 0.886 240 S CB 1.447 64.382 63.200 -0.443 0.000 1.109 240 S HN 0.409 nan 8.310 nan 0.000 0.458 241 P HA 0.146 nan 4.420 nan 0.000 0.263 241 P C -1.060 176.127 177.300 -0.189 0.000 1.175 241 P CA 0.246 63.227 63.100 -0.199 0.000 0.761 241 P CB 0.250 31.946 31.700 -0.006 0.000 0.794 242 L N 5.799 126.931 121.223 -0.151 0.000 2.331 242 L HA 0.445 4.804 4.340 0.031 0.000 0.275 242 L C -1.511 175.293 176.870 -0.111 0.000 1.022 242 L CA -1.774 52.919 54.840 -0.246 0.000 0.812 242 L CB 1.688 43.418 42.059 -0.548 0.000 1.257 242 L HN 0.316 nan 8.230 nan 0.000 0.435 243 P HA 0.112 nan 4.420 nan 0.000 0.211 243 P C -0.178 177.130 177.300 0.013 0.000 1.833 243 P CA -0.185 62.916 63.100 0.000 0.000 0.938 243 P CB -0.058 31.645 31.700 0.006 0.000 1.808 244 V N -1.309 118.615 119.914 0.016 0.000 3.484 244 V HA 0.045 4.183 4.120 0.031 0.000 0.304 244 V C 1.074 177.210 176.094 0.070 0.000 1.116 244 V CA 0.570 62.902 62.300 0.052 0.000 1.187 244 V CB 0.199 32.094 31.823 0.120 0.000 1.062 244 V HN -0.018 nan 8.190 nan 0.000 0.489 245 D N 0.238 120.679 120.400 0.068 0.000 2.262 245 D HA 0.134 4.793 4.640 0.031 0.000 0.212 245 D C 1.458 177.798 176.300 0.067 0.000 0.964 245 D CA 1.155 55.191 54.000 0.060 0.000 0.875 245 D CB 0.452 41.282 40.800 0.048 0.000 0.996 245 D HN 0.851 nan 8.370 nan 0.000 0.497 246 E N -1.068 119.179 120.200 0.079 0.000 2.744 246 E HA 0.139 4.508 4.350 0.031 0.000 0.210 246 E C -0.293 176.365 176.600 0.096 0.000 0.950 246 E CA 0.052 56.498 56.400 0.076 0.000 1.282 246 E CB 1.117 30.853 29.700 0.059 0.000 1.123 246 E HN -0.196 nan 8.360 nan 0.000 0.544 247 V N 0.556 120.551 119.914 0.134 0.000 4.935 247 V HA -0.264 3.875 4.120 0.031 0.000 0.273 247 V C 0.270 176.443 176.094 0.131 0.000 0.517 247 V CA 1.428 63.835 62.300 0.179 0.000 0.745 247 V CB -2.292 29.631 31.823 0.168 0.000 0.647 247 V HN 0.316 nan 8.190 nan 0.000 1.220 248 S N 0.187 115.952 115.700 0.108 0.000 2.217 248 S HA 0.513 5.001 4.470 0.031 0.000 0.168 248 S C 0.356 175.007 174.600 0.084 0.000 1.526 248 S CA 0.151 58.401 58.200 0.083 0.000 1.150 248 S CB 0.479 63.716 63.200 0.062 0.000 1.158 248 S HN 0.634 nan 8.310 nan 0.000 0.473 249 S N 4.524 120.287 115.700 0.104 0.000 2.531 249 S HA 0.261 4.750 4.470 0.031 0.000 0.279 249 S C -1.634 173.008 174.600 0.069 0.000 1.305 249 S CA -0.815 57.444 58.200 0.098 0.000 1.058 249 S CB 1.025 64.308 63.200 0.138 0.000 0.899 249 S HN 0.600 nan 8.310 nan 0.000 0.493 250 P HA 0.076 nan 4.420 nan 0.000 0.257 250 P C 0.021 177.339 177.300 0.029 0.000 1.325 250 P CA 0.057 63.179 63.100 0.037 0.000 0.850 250 P CB 0.119 31.842 31.700 0.038 0.000 1.324 251 M N 0.988 120.612 119.600 0.040 0.000 2.268 251 M HA 0.037 4.536 4.480 0.031 0.000 0.349 251 M C 0.880 177.187 176.300 0.012 0.000 1.485 251 M CA 0.307 55.626 55.300 0.031 0.000 1.094 251 M CB 0.697 33.329 32.600 0.052 0.000 1.843 251 M HN -0.266 nan 8.290 nan 0.000 0.460 252 K N 3.641 124.029 120.400 -0.020 0.000 2.287 252 K HA 0.176 4.515 4.320 0.031 0.000 0.199 252 K C 0.135 176.677 176.600 -0.096 0.000 1.061 252 K CA 0.784 57.037 56.287 -0.058 0.000 0.976 252 K CB 0.269 32.715 32.500 -0.089 0.000 0.898 252 K HN 0.543 nan 8.250 nan 0.000 0.492 253 K N 1.054 121.377 120.400 -0.129 0.000 2.345 253 K HA 0.319 4.658 4.320 0.031 0.000 0.255 253 K C -1.571 174.978 176.600 -0.085 0.000 0.934 253 K CA -0.645 55.508 56.287 -0.223 0.000 0.801 253 K CB 1.209 33.343 32.500 -0.610 0.000 1.137 253 K HN -0.147 nan 8.250 nan 0.000 0.424 254 L N 3.298 124.461 121.223 -0.100 0.000 2.362 254 L HA 0.725 5.084 4.340 0.031 0.000 0.275 254 L C -1.576 175.169 176.870 -0.208 0.000 0.998 254 L CA -0.151 54.619 54.840 -0.117 0.000 0.820 254 L CB 1.770 43.790 42.059 -0.064 0.000 1.270 254 L HN 0.755 nan 8.230 nan 0.000 0.415 255 A N 4.436 127.078 122.820 -0.296 0.000 2.398 255 A HA 0.779 5.118 4.320 0.031 0.000 0.301 255 A C -1.681 175.604 177.584 -0.497 0.000 1.041 255 A CA -0.322 51.549 52.037 -0.277 0.000 0.711 255 A CB 0.680 19.682 19.000 0.004 0.000 1.240 255 A HN 0.480 nan 8.150 nan 0.000 0.420 256 F N 1.507 121.305 119.950 -0.254 0.000 2.444 256 F HA 0.667 5.212 4.527 0.030 0.000 0.342 256 F C 0.740 176.521 175.800 -0.031 0.000 1.121 256 F CA -0.210 57.711 58.000 -0.131 0.000 0.997 256 F CB 2.127 41.063 39.000 -0.107 0.000 1.130 256 F HN 0.522 nan 8.300 nan 0.000 0.454 257 R N 1.026 121.612 120.500 0.144 0.000 2.575 257 R HA 0.539 4.898 4.340 0.031 0.000 0.293 257 R C 0.273 176.652 176.300 0.132 0.000 0.983 257 R CA -0.804 55.370 56.100 0.125 0.000 0.887 257 R CB 1.971 32.308 30.300 0.061 0.000 1.184 257 R HN 0.892 nan 8.270 nan 0.000 0.445 258 G N 1.734 110.621 108.800 0.146 0.000 2.273 258 G HA2 -0.288 3.691 3.960 0.031 0.000 0.280 258 G HA3 -0.288 3.691 3.960 0.031 0.000 0.280 258 G C -0.230 174.754 174.900 0.140 0.000 1.047 258 G CA 0.491 45.672 45.100 0.136 0.000 0.869 258 G HN 0.499 nan 8.290 nan 0.000 0.502 259 S N -1.724 114.078 115.700 0.170 0.000 2.690 259 S HA 0.752 5.241 4.470 0.031 0.000 0.291 259 S C 0.221 174.891 174.600 0.116 0.000 1.138 259 S CA -0.661 57.633 58.200 0.157 0.000 1.013 259 S CB 2.580 65.909 63.200 0.214 0.000 1.053 259 S HN 0.639 nan 8.310 nan 0.000 0.539 260 V N 2.493 122.458 119.914 0.084 0.000 2.495 260 V HA 0.583 4.722 4.120 0.031 0.000 0.298 260 V C -0.901 175.210 176.094 0.029 0.000 1.031 260 V CA -0.532 61.799 62.300 0.053 0.000 0.871 260 V CB 1.076 32.927 31.823 0.047 0.000 0.988 260 V HN 0.601 nan 8.190 nan 0.000 0.432 261 L N 3.490 124.718 121.223 0.008 0.000 2.277 261 L HA 0.911 5.270 4.340 0.031 0.000 0.254 261 L C 0.221 177.079 176.870 -0.020 0.000 1.044 261 L CA -0.263 54.576 54.840 -0.002 0.000 0.842 261 L CB 2.565 44.630 42.059 0.009 0.000 1.422 261 L HN 0.828 nan 8.230 nan 0.000 0.422 262 T N -4.670 109.873 114.554 -0.018 0.000 2.887 262 T HA 0.394 4.763 4.350 0.031 0.000 0.292 262 T C 0.119 174.778 174.700 -0.068 0.000 1.087 262 T CA -0.390 61.671 62.100 -0.065 0.000 1.009 262 T CB 1.481 70.310 68.868 -0.065 0.000 1.203 262 T HN 0.598 nan 8.240 nan 0.000 0.518 263 D N 0.125 120.441 120.400 -0.140 0.000 2.144 263 D HA -0.177 4.482 4.640 0.031 0.000 0.199 263 D C 1.534 177.783 176.300 -0.085 0.000 0.984 263 D CA 1.317 55.225 54.000 -0.153 0.000 0.834 263 D CB -0.234 40.445 40.800 -0.202 0.000 0.955 263 D HN 0.786 nan 8.370 nan 0.000 0.465 264 E N 0.650 120.728 120.200 -0.203 0.000 2.017 264 E HA -0.214 4.155 4.350 0.031 0.000 0.193 264 E C 1.893 178.259 176.600 -0.390 0.000 0.997 264 E CA 1.820 57.893 56.400 -0.545 0.000 0.804 264 E CB -0.085 29.261 29.700 -0.590 0.000 0.757 264 E HN 0.366 nan 8.360 nan 0.000 0.448 265 S N -0.378 115.226 115.700 -0.161 0.000 2.474 265 S HA -0.127 4.362 4.470 0.031 0.000 0.235 265 S C 1.811 176.448 174.600 0.061 0.000 0.997 265 S CA 0.527 58.725 58.200 -0.004 0.000 0.949 265 S CB -0.460 62.774 63.200 0.056 0.000 0.766 265 S HN 0.384 nan 8.310 nan 0.000 0.517 266 F N 3.486 123.373 119.950 -0.106 0.000 2.163 266 F HA 0.080 4.625 4.527 0.030 0.000 0.297 266 F C 2.335 178.113 175.800 -0.036 0.000 1.094 266 F CA 1.399 59.335 58.000 -0.107 0.000 1.290 266 F CB -0.557 38.343 39.000 -0.166 0.000 1.017 266 F HN 0.281 nan 8.300 nan 0.000 0.483 267 N N 0.254 119.116 118.700 0.269 0.000 2.309 267 N HA -0.171 4.588 4.740 0.031 0.000 0.182 267 N C 1.543 177.149 175.510 0.159 0.000 1.018 267 N CA 1.167 54.365 53.050 0.246 0.000 0.876 267 N CB -0.067 38.605 38.487 0.309 0.000 0.972 267 N HN 0.341 nan 8.380 nan 0.000 0.434 268 E N 1.117 121.402 120.200 0.141 0.000 2.072 268 E HA -0.082 4.287 4.350 0.031 0.000 0.191 268 E C 2.243 178.993 176.600 0.251 0.000 0.985 268 E CA 0.321 56.847 56.400 0.210 0.000 0.801 268 E CB -0.319 29.510 29.700 0.216 0.000 0.750 268 E HN 0.449 nan 8.360 nan 0.000 0.452 269 L N 0.678 121.994 121.223 0.155 0.000 2.042 269 L HA -0.203 4.156 4.340 0.031 0.000 0.210 269 L C 2.378 179.200 176.870 -0.080 0.000 1.076 269 L CA 0.943 55.766 54.840 -0.027 0.000 0.749 269 L CB -0.614 41.238 42.059 -0.344 0.000 0.893 269 L HN 0.188 nan 8.230 nan 0.000 0.432 270 L N -2.856 118.308 121.223 -0.099 0.000 2.465 270 L HA -0.056 4.303 4.340 0.031 0.000 0.224 270 L C 2.002 178.810 176.870 -0.102 0.000 1.145 270 L CA 1.323 56.127 54.840 -0.059 0.000 0.834 270 L CB -0.920 41.149 42.059 0.017 0.000 0.944 270 L HN 0.000 nan 8.230 nan 0.000 0.451 271 K N 0.354 120.641 120.400 -0.189 0.000 2.217 271 K HA 0.079 4.418 4.320 0.031 0.000 0.202 271 K C 1.990 178.257 176.600 -0.554 0.000 1.051 271 K CA 0.881 56.891 56.287 -0.463 0.000 0.952 271 K CB -0.237 31.802 32.500 -0.769 0.000 0.736 271 K HN 0.359 nan 8.250 nan 0.000 0.453 272 L N 0.997 122.058 121.223 -0.271 0.000 2.265 272 L HA -0.154 4.205 4.340 0.031 0.000 0.215 272 L C 1.951 178.862 176.870 0.069 0.000 1.117 272 L CA 0.726 55.571 54.840 0.008 0.000 0.782 272 L CB -0.268 41.743 42.059 -0.079 0.000 0.914 272 L HN 0.204 nan 8.230 nan 0.000 0.441 273 L N -0.121 121.086 121.223 -0.027 0.000 2.191 273 L HA -0.206 4.153 4.340 0.031 0.000 0.212 273 L C 2.721 179.565 176.870 -0.045 0.000 1.103 273 L CA 1.026 55.870 54.840 0.007 0.000 0.769 273 L CB -0.602 41.455 42.059 -0.003 0.000 0.908 273 L HN 0.405 nan 8.230 nan 0.000 0.438 274 R N -0.538 119.847 120.500 -0.190 0.000 2.249 274 R HA -0.206 4.153 4.340 0.031 0.000 0.230 274 R C 1.514 177.590 176.300 -0.373 0.000 1.121 274 R CA 1.675 57.579 56.100 -0.327 0.000 0.997 274 R CB -0.581 29.413 30.300 -0.510 0.000 0.867 274 R HN 0.350 nan 8.270 nan 0.000 0.465 275 Y N 1.444 121.785 120.300 0.068 0.000 2.503 275 Y HA 0.258 4.826 4.550 0.031 0.000 0.277 275 Y C 1.433 177.391 175.900 0.096 0.000 1.102 275 Y CA -0.375 57.786 58.100 0.103 0.000 1.261 275 Y CB 0.426 38.979 38.460 0.154 0.000 1.096 275 Y HN 0.019 nan 8.280 nan 0.000 0.546 276 I N -1.121 119.578 120.570 0.215 0.000 2.410 276 I HA 0.109 4.298 4.170 0.031 0.000 0.288 276 I C 0.365 176.534 176.117 0.087 0.000 1.106 276 I CA -0.197 61.197 61.300 0.158 0.000 1.389 276 I CB -0.025 38.078 38.000 0.172 0.000 1.561 276 I HN 0.069 nan 8.210 nan 0.000 0.605 277 L N 1.658 122.921 121.223 0.068 0.000 2.357 277 L HA -0.163 4.196 4.340 0.031 0.000 0.220 277 L C 1.769 178.658 176.870 0.031 0.000 1.123 277 L CA 1.680 56.542 54.840 0.036 0.000 0.782 277 L CB -1.169 40.908 42.059 0.031 0.000 0.910 277 L HN 0.571 nan 8.230 nan 0.000 0.442 278 E N -1.273 118.949 120.200 0.038 0.000 2.481 278 E HA 0.088 4.457 4.350 0.031 0.000 0.198 278 E C 0.343 176.953 176.600 0.015 0.000 1.027 278 E CA -0.401 56.013 56.400 0.023 0.000 0.900 278 E CB 0.049 29.762 29.700 0.020 0.000 0.993 278 E HN 0.086 nan 8.360 nan 0.000 0.482 279 L N 1.537 122.777 121.223 0.028 0.000 2.640 279 L HA -0.074 4.285 4.340 0.031 0.000 0.280 279 L C 0.961 177.833 176.870 0.003 0.000 1.229 279 L CA 0.717 55.569 54.840 0.019 0.000 0.919 279 L CB 0.558 42.643 42.059 0.043 0.000 1.168 279 L HN 0.102 nan 8.230 nan 0.000 0.496 280 S N 1.962 117.648 115.700 -0.023 0.000 2.549 280 S HA 0.278 4.767 4.470 0.031 0.000 0.225 280 S C 0.364 174.938 174.600 -0.044 0.000 1.039 280 S CA -0.276 57.905 58.200 -0.031 0.000 0.942 280 S CB 0.074 63.245 63.200 -0.048 0.000 0.881 280 S HN 0.692 nan 8.310 nan 0.000 0.503 281 E N 1.231 121.392 120.200 -0.066 0.000 2.274 281 E HA 0.504 4.873 4.350 0.031 0.000 0.269 281 E C -1.593 174.959 176.600 -0.081 0.000 0.891 281 E CA -0.787 55.563 56.400 -0.084 0.000 0.784 281 E CB 2.384 31.992 29.700 -0.154 0.000 1.225 281 E HN 0.297 nan 8.360 nan 0.000 0.412 282 V N 1.069 120.961 119.914 -0.036 0.000 2.487 282 V HA 0.652 4.791 4.120 0.031 0.000 0.298 282 V C -0.453 175.597 176.094 -0.073 0.000 1.028 282 V CA -0.806 61.462 62.300 -0.054 0.000 0.860 282 V CB 1.594 33.444 31.823 0.045 0.000 0.991 282 V HN 0.735 nan 8.190 nan 0.000 0.427 283 E N 3.107 123.191 120.200 -0.194 0.000 2.238 283 E HA 0.704 5.073 4.350 0.031 0.000 0.267 283 E C -2.062 174.368 176.600 -0.284 0.000 0.887 283 E CA -0.825 55.501 56.400 -0.123 0.000 0.769 283 E CB 2.199 31.856 29.700 -0.073 0.000 1.187 283 E HN 0.698 nan 8.360 nan 0.000 0.416 284 F N 2.513 122.548 119.950 0.142 0.000 2.610 284 F HA 0.309 4.855 4.527 0.031 0.000 0.355 284 F C -0.797 175.057 175.800 0.091 0.000 1.140 284 F CA -0.814 57.274 58.000 0.146 0.000 1.037 284 F CB 1.517 40.583 39.000 0.111 0.000 1.287 284 F HN 0.284 nan 8.300 nan 0.000 0.457 285 D N 3.163 123.695 120.400 0.220 0.000 2.217 285 D HA 0.255 4.914 4.640 0.031 0.000 0.243 285 D C -0.232 176.151 176.300 0.139 0.000 1.054 285 D CA -0.024 54.062 54.000 0.143 0.000 0.838 285 D CB 0.993 41.854 40.800 0.102 0.000 1.162 285 D HN 0.417 nan 8.370 nan 0.000 0.472 286 D N 0.865 121.320 120.400 0.093 0.000 2.701 286 D HA -0.191 4.468 4.640 0.031 0.000 0.235 286 D C -0.386 176.003 176.300 0.148 0.000 1.155 286 D CA 0.591 54.655 54.000 0.106 0.000 0.649 286 D CB -1.103 39.783 40.800 0.143 0.000 1.050 286 D HN 0.274 nan 8.370 nan 0.000 0.425 287 C N -0.274 119.096 119.300 0.117 0.000 2.349 287 C HA 0.635 5.114 4.460 0.031 0.000 0.361 287 C C 0.985 176.038 174.990 0.104 0.000 1.189 287 C CA -0.355 58.747 59.018 0.141 0.000 2.155 287 C CB 1.930 29.785 27.740 0.190 0.000 2.336 287 C HN 0.255 nan 8.230 nan 0.000 0.540 288 T N 2.819 117.430 114.554 0.094 0.000 2.841 288 T HA 0.456 4.825 4.350 0.031 0.000 0.283 288 T C -1.022 173.671 174.700 -0.010 0.000 1.000 288 T CA -0.320 61.819 62.100 0.065 0.000 0.977 288 T CB 1.135 70.050 68.868 0.078 0.000 0.979 288 T HN 0.514 nan 8.240 nan 0.000 0.446 289 L N 4.424 125.604 121.223 -0.071 0.000 2.353 289 L HA 0.461 4.820 4.340 0.031 0.000 0.270 289 L C -0.795 175.969 176.870 -0.176 0.000 1.003 289 L CA -0.594 54.161 54.840 -0.143 0.000 0.862 289 L CB 0.645 42.559 42.059 -0.242 0.000 1.221 289 L HN 0.583 nan 8.230 nan 0.000 0.430 290 N N 3.708 122.332 118.700 -0.126 0.000 2.411 290 N HA 0.139 4.898 4.740 0.031 0.000 0.259 290 N C 1.113 176.530 175.510 -0.156 0.000 1.103 290 N CA 0.071 53.048 53.050 -0.121 0.000 0.954 290 N CB 1.738 40.188 38.487 -0.061 0.000 1.085 290 N HN 0.760 nan 8.380 nan 0.000 0.485 291 G N 2.105 110.781 108.800 -0.207 0.000 3.028 291 G HA2 0.006 3.984 3.960 0.031 0.000 0.205 291 G HA3 0.006 3.984 3.960 0.031 0.000 0.205 291 G C 1.135 176.090 174.900 0.092 0.000 1.182 291 G CA 0.078 45.086 45.100 -0.152 0.000 0.860 291 G HN 0.552 nan 8.290 nan 0.000 0.507 292 L N -1.649 119.585 121.223 0.019 0.000 2.491 292 L HA 0.665 5.024 4.340 0.031 0.000 0.158 292 L C 2.177 179.049 176.870 0.002 0.000 1.029 292 L CA 0.504 55.360 54.840 0.028 0.000 1.656 292 L CB -1.165 40.897 42.059 0.004 0.000 2.075 292 L HN 0.261 nan 8.230 nan 0.000 0.484 293 G N -1.316 107.480 108.800 -0.006 0.000 3.344 293 G HA2 -0.461 3.518 3.960 0.031 0.000 0.370 293 G HA3 -0.461 3.518 3.960 0.031 0.000 0.370 293 G C 0.280 175.202 174.900 0.038 0.000 1.646 293 G CA 1.133 46.232 45.100 -0.001 0.000 1.686 293 G HN 1.146 nan 8.290 nan 0.000 0.823 294 D N -0.739 119.690 120.400 0.048 0.000 3.585 294 D HA -0.121 4.538 4.640 0.031 0.000 0.251 294 D C 0.341 176.783 176.300 0.238 0.000 1.065 294 D CA 0.952 55.033 54.000 0.136 0.000 1.048 294 D CB -1.417 39.429 40.800 0.076 0.000 0.952 294 D HN 0.454 nan 8.370 nan 0.000 0.421 295 F N 0.772 120.766 119.950 0.074 0.000 2.626 295 F HA -0.112 4.434 4.527 0.032 0.000 0.354 295 F C 1.961 177.778 175.800 0.028 0.000 1.168 295 F CA 0.336 58.367 58.000 0.051 0.000 1.368 295 F CB 0.420 39.458 39.000 0.062 0.000 1.092 295 F HN 0.207 nan 8.300 nan 0.000 0.612 296 N N 1.204 119.922 118.700 0.031 0.000 2.372 296 N HA 0.133 4.891 4.740 0.031 0.000 0.242 296 N C -2.162 173.245 175.510 -0.172 0.000 1.124 296 N CA 0.033 53.047 53.050 -0.059 0.000 0.824 296 N CB -0.877 37.593 38.487 -0.029 0.000 1.468 296 N HN 0.287 nan 8.380 nan 0.000 0.470 297 P HA 0.124 nan 4.420 nan 0.000 0.258 297 P C 0.599 177.761 177.300 -0.229 0.000 1.172 297 P CA 0.478 63.396 63.100 -0.304 0.000 0.762 297 P CB 0.815 32.242 31.700 -0.456 0.000 0.764 298 S N 2.651 118.268 115.700 -0.138 0.000 2.338 298 S HA -0.163 4.326 4.470 0.031 0.000 0.218 298 S C 1.353 175.904 174.600 -0.081 0.000 1.032 298 S CA 1.215 59.359 58.200 -0.093 0.000 0.999 298 S CB -0.449 62.711 63.200 -0.067 0.000 0.905 298 S HN 0.601 nan 8.310 nan 0.000 0.439 299 E N 1.227 121.382 120.200 -0.075 0.000 2.463 299 E HA 0.024 4.393 4.350 0.031 0.000 0.201 299 E C 0.334 176.903 176.600 -0.052 0.000 1.045 299 E CA 0.471 56.840 56.400 -0.051 0.000 0.872 299 E CB -0.039 29.637 29.700 -0.039 0.000 0.797 299 E HN 0.195 nan 8.360 nan 0.000 0.538 300 S N 0.553 116.193 115.700 -0.099 0.000 2.481 300 S HA 0.047 4.536 4.470 0.031 0.000 0.243 300 S C 0.082 174.657 174.600 -0.041 0.000 1.152 300 S CA -0.277 57.869 58.200 -0.090 0.000 1.168 300 S CB 0.326 63.384 63.200 -0.236 0.000 0.835 300 S HN 0.199 nan 8.310 nan 0.000 0.474 301 D N 0.813 121.207 120.400 -0.010 0.000 2.766 301 D HA 0.042 4.701 4.640 0.031 0.000 0.284 301 D C 0.098 176.417 176.300 0.033 0.000 1.050 301 D CA 0.220 54.243 54.000 0.037 0.000 0.945 301 D CB 0.223 41.026 40.800 0.005 0.000 1.272 301 D HN 0.045 nan 8.370 nan 0.000 0.482 302 V N 1.881 121.795 119.914 -0.000 0.000 5.195 302 V HA -0.207 3.932 4.120 0.031 0.000 0.361 302 V C 1.704 177.795 176.094 -0.005 0.000 0.690 302 V CA 0.837 63.126 62.300 -0.019 0.000 1.388 302 V CB -1.530 30.258 31.823 -0.058 0.000 1.652 302 V HN 0.220 nan 8.190 nan 0.000 0.461 303 V N 3.469 123.384 119.914 0.002 0.000 2.302 303 V HA -0.066 4.073 4.120 0.031 0.000 0.243 303 V C 1.897 177.997 176.094 0.010 0.000 1.036 303 V CA 2.600 64.910 62.300 0.017 0.000 1.020 303 V CB 0.737 32.571 31.823 0.018 0.000 0.657 303 V HN 2.120 nan 8.190 nan 0.000 0.453 304 S N -0.039 115.659 115.700 -0.003 0.000 3.225 304 S HA -0.334 4.155 4.470 0.031 0.000 0.308 304 S C 0.526 175.130 174.600 0.007 0.000 1.270 304 S CA 1.539 59.733 58.200 -0.010 0.000 1.011 304 S CB -1.767 61.411 63.200 -0.035 0.000 1.138 304 S HN 0.981 nan 8.310 nan 0.000 0.661 305 E N -0.831 119.383 120.200 0.022 0.000 2.440 305 E HA -0.251 4.118 4.350 0.031 0.000 0.246 305 E C 0.483 177.106 176.600 0.038 0.000 1.165 305 E CA 0.753 57.174 56.400 0.035 0.000 0.726 305 E CB -1.970 27.748 29.700 0.030 0.000 1.271 305 E HN 0.899 nan 8.360 nan 0.000 0.397 306 L N -2.372 118.875 121.223 0.041 0.000 3.858 306 L HA -0.395 3.963 4.340 0.031 0.000 0.425 306 L C 1.551 178.441 176.870 0.034 0.000 1.177 306 L CA 0.848 55.717 54.840 0.048 0.000 0.943 306 L CB -2.441 39.664 42.059 0.078 0.000 1.861 306 L HN 0.733 nan 8.230 nan 0.000 0.985 307 G N 0.305 109.115 108.800 0.017 0.000 2.698 307 G HA2 -0.463 3.516 3.960 0.031 0.000 0.337 307 G HA3 -0.463 3.516 3.960 0.031 0.000 0.337 307 G C 0.550 175.460 174.900 0.018 0.000 1.196 307 G CA 1.013 46.119 45.100 0.011 0.000 0.965 307 G HN 0.475 nan 8.290 nan 0.000 0.550 308 K N 0.031 120.442 120.400 0.020 0.000 2.646 308 K HA 0.502 4.841 4.320 0.031 0.000 0.206 308 K C 0.336 176.948 176.600 0.019 0.000 1.069 308 K CA -0.171 56.126 56.287 0.017 0.000 1.067 308 K CB 0.505 33.012 32.500 0.011 0.000 0.807 308 K HN 0.303 nan 8.250 nan 0.000 0.482 309 V N 2.718 122.651 119.914 0.031 0.000 2.434 309 V HA -0.051 4.088 4.120 0.031 0.000 0.281 309 V C 0.957 177.070 176.094 0.031 0.000 1.005 309 V CA 0.859 63.180 62.300 0.036 0.000 1.089 309 V CB 0.593 32.454 31.823 0.064 0.000 0.978 309 V HN 0.418 nan 8.190 nan 0.000 0.474 310 E N 2.311 122.519 120.200 0.013 0.000 2.276 310 E HA 0.058 4.427 4.350 0.031 0.000 0.193 310 E C 0.294 176.901 176.600 0.011 0.000 0.983 310 E CA 0.507 56.911 56.400 0.007 0.000 0.861 310 E CB 0.455 30.146 29.700 -0.015 0.000 0.817 310 E HN 0.693 nan 8.360 nan 0.000 0.485 311 T N 1.093 115.651 114.554 0.007 0.000 2.881 311 T HA 0.414 4.783 4.350 0.031 0.000 0.290 311 T C -0.854 173.873 174.700 0.044 0.000 1.000 311 T CA -0.518 61.590 62.100 0.012 0.000 0.978 311 T CB 2.521 71.367 68.868 -0.037 0.000 0.997 311 T HN -0.233 nan 8.240 nan 0.000 0.443 312 V N 3.428 123.391 119.914 0.082 0.000 2.483 312 V HA 0.589 4.728 4.120 0.031 0.000 0.297 312 V C -0.278 175.897 176.094 0.135 0.000 1.027 312 V CA -0.656 61.724 62.300 0.133 0.000 0.855 312 V CB 1.975 33.904 31.823 0.177 0.000 0.995 312 V HN 1.019 nan 8.190 nan 0.000 0.424 313 T N 6.479 121.118 114.554 0.141 0.000 2.840 313 T HA 0.688 5.056 4.350 0.031 0.000 0.287 313 T C -0.479 174.333 174.700 0.187 0.000 0.991 313 T CA -0.189 61.987 62.100 0.128 0.000 0.964 313 T CB 1.092 70.001 68.868 0.068 0.000 0.954 313 T HN 0.384 nan 8.240 nan 0.000 0.438 314 I N 3.387 124.054 120.570 0.163 0.000 2.465 314 I HA 0.547 4.736 4.170 0.031 0.000 0.291 314 I C -0.083 176.088 176.117 0.089 0.000 1.014 314 I CA -0.896 60.505 61.300 0.168 0.000 1.093 314 I CB 1.848 39.927 38.000 0.131 0.000 1.267 314 I HN 0.323 nan 8.210 nan 0.000 0.431 315 R N 5.302 125.849 120.500 0.078 0.000 2.574 315 R HA 0.535 4.894 4.340 0.031 0.000 0.288 315 R C -0.688 175.598 176.300 -0.022 0.000 1.004 315 R CA -1.074 55.044 56.100 0.030 0.000 0.895 315 R CB 2.028 32.355 30.300 0.044 0.000 1.191 315 R HN 0.541 nan 8.270 nan 0.000 0.444 316 R N 0.990 121.443 120.500 -0.079 0.000 3.264 316 R HA -0.206 4.153 4.340 0.031 0.000 0.251 316 R C -0.444 175.570 176.300 -0.476 0.000 0.971 316 R CA 0.197 56.164 56.100 -0.221 0.000 0.658 316 R CB -1.401 28.836 30.300 -0.105 0.000 1.095 316 R HN 0.358 nan 8.270 nan 0.000 0.443 317 L N 2.111 123.144 121.223 -0.315 0.000 2.319 317 L HA 0.201 4.560 4.340 0.031 0.000 0.280 317 L C 0.078 176.738 176.870 -0.351 0.000 1.099 317 L CA -0.026 54.648 54.840 -0.276 0.000 0.828 317 L CB 0.502 42.483 42.059 -0.131 0.000 1.150 317 L HN 0.100 nan 8.230 nan 0.000 0.442 318 H N 6.524 125.591 119.070 -0.006 0.000 2.556 318 H HA 0.346 4.921 4.556 0.032 0.000 0.310 318 H C -0.593 174.705 175.328 -0.049 0.000 1.057 318 H CA -0.582 55.457 56.048 -0.014 0.000 1.264 318 H CB 1.727 31.487 29.762 -0.004 0.000 1.404 318 H HN 0.612 nan 8.280 nan 0.000 0.462 319 I N 5.869 126.465 120.570 0.043 0.000 2.503 319 I HA 0.293 4.482 4.170 0.031 0.000 0.277 319 I C -2.502 173.582 176.117 -0.055 0.000 1.078 319 I CA -2.209 59.053 61.300 -0.063 0.000 1.184 319 I CB 0.684 38.630 38.000 -0.090 0.000 1.353 319 I HN 0.220 nan 8.210 nan 0.000 0.490 320 P HA 0.093 nan 4.420 nan 0.000 0.267 320 P C -0.884 176.355 177.300 -0.101 0.000 1.205 320 P CA 0.038 63.106 63.100 -0.053 0.000 0.765 320 P CB 0.383 32.058 31.700 -0.041 0.000 0.828 321 Q N 2.146 121.914 119.800 -0.054 0.000 2.430 321 Q HA -0.220 4.139 4.340 0.031 0.000 0.365 321 Q C -1.366 174.510 176.000 -0.206 0.000 1.399 321 Q CA -0.010 55.757 55.803 -0.060 0.000 1.050 321 Q CB -1.192 27.530 28.738 -0.025 0.000 1.201 321 Q HN 0.332 nan 8.270 nan 0.000 0.320 322 F N 6.157 125.927 119.950 -0.300 0.000 2.541 322 F HA 0.209 4.754 4.527 0.030 0.000 0.351 322 F C 0.468 176.048 175.800 -0.366 0.000 1.209 322 F CA -0.853 56.850 58.000 -0.495 0.000 1.277 322 F CB -0.505 38.334 39.000 -0.269 0.000 1.632 322 F HN 0.450 nan 8.300 nan 0.000 0.619 323 Y N 2.115 122.572 120.300 0.261 0.000 1.621 323 Y HA -0.179 4.390 4.550 0.032 0.000 0.145 323 Y C 1.035 177.072 175.900 0.229 0.000 0.802 323 Y CA 1.313 59.530 58.100 0.195 0.000 0.706 323 Y CB -1.386 37.149 38.460 0.125 0.000 0.716 323 Y HN 0.327 nan 8.280 nan 0.000 0.677 324 L N -2.433 119.204 121.223 0.690 0.000 2.867 324 L HA 0.455 4.814 4.340 0.031 0.000 0.235 324 L C -0.836 176.352 176.870 0.530 0.000 2.007 324 L CA -1.478 53.632 54.840 0.450 0.000 2.313 324 L CB 0.352 42.603 42.059 0.321 0.000 2.475 324 L HN 0.334 nan 8.230 nan 0.000 0.585 325 F N 1.127 121.242 119.950 0.274 0.000 2.472 325 F HA 0.275 4.821 4.527 0.032 0.000 0.364 325 F C -0.459 175.532 175.800 0.318 0.000 1.090 325 F CA -0.077 58.074 58.000 0.251 0.000 1.188 325 F CB 0.256 39.338 39.000 0.136 0.000 1.105 325 F HN 0.285 nan 8.300 nan 0.000 0.536 326 Y N 5.358 125.411 120.300 -0.412 0.000 2.418 326 Y HA 0.223 4.791 4.550 0.031 0.000 0.327 326 Y C 1.266 176.623 175.900 -0.906 0.000 1.309 326 Y CA -0.771 57.100 58.100 -0.381 0.000 1.423 326 Y CB 0.678 39.088 38.460 -0.083 0.000 1.423 326 Y HN 0.664 nan 8.280 nan 0.000 0.532 327 D N 0.720 120.420 120.400 -1.168 0.000 2.088 327 D HA -0.220 4.439 4.640 0.031 0.000 0.191 327 D C 1.760 177.717 176.300 -0.572 0.000 0.992 327 D CA 2.804 56.314 54.000 -0.817 0.000 0.831 327 D CB -0.199 40.123 40.800 -0.797 0.000 0.973 327 D HN 0.716 nan 8.370 nan 0.000 0.447 328 L N -1.031 119.967 121.223 -0.375 0.000 4.977 328 L HA -0.348 4.011 4.340 0.031 0.000 0.398 328 L C 1.688 178.306 176.870 -0.419 0.000 0.818 328 L CA 1.115 55.867 54.840 -0.147 0.000 2.090 328 L CB -1.167 40.877 42.059 -0.024 0.000 1.320 328 L HN 0.000 nan 8.230 nan 0.000 0.615 329 S N -1.217 114.093 115.700 -0.651 0.000 2.461 329 S HA -0.043 4.446 4.470 0.031 0.000 0.228 329 S C 1.246 175.545 174.600 -0.501 0.000 1.005 329 S CA 1.521 59.135 58.200 -0.977 0.000 0.942 329 S CB -0.034 62.821 63.200 -0.575 0.000 0.776 329 S HN 0.501 nan 8.310 nan 0.000 0.514 330 T N 1.957 116.335 114.554 -0.294 0.000 3.500 330 T HA 0.249 4.618 4.350 0.031 0.000 0.244 330 T C 0.721 175.407 174.700 -0.024 0.000 0.962 330 T CA 0.150 62.173 62.100 -0.128 0.000 0.932 330 T CB -0.212 68.598 68.868 -0.096 0.000 1.096 330 T HN 0.266 nan 8.240 nan 0.000 0.617 331 V N -3.073 116.829 119.914 -0.020 0.000 3.188 331 V HA 0.133 4.272 4.120 0.031 0.000 0.258 331 V C 1.475 177.638 176.094 0.115 0.000 1.702 331 V CA -0.466 61.918 62.300 0.141 0.000 1.020 331 V CB -0.767 31.271 31.823 0.359 0.000 0.884 331 V HN 0.467 nan 8.190 nan 0.000 0.399 332 Y N 2.717 122.917 120.300 -0.166 0.000 2.060 332 Y HA -0.243 4.326 4.550 0.031 0.000 0.276 332 Y C 3.063 178.870 175.900 -0.156 0.000 1.127 332 Y CA 1.602 59.483 58.100 -0.366 0.000 1.104 332 Y CB -0.383 37.648 38.460 -0.714 0.000 0.983 332 Y HN 0.421 nan 8.280 nan 0.000 0.483 333 S N 0.255 116.019 115.700 0.107 0.000 2.493 333 S HA -0.147 4.342 4.470 0.031 0.000 0.243 333 S C 1.458 176.101 174.600 0.072 0.000 0.991 333 S CA 1.057 59.319 58.200 0.103 0.000 0.957 333 S CB -0.612 62.632 63.200 0.073 0.000 0.756 333 S HN 0.245 nan 8.310 nan 0.000 0.521 334 L N 0.257 121.519 121.223 0.066 0.000 2.249 334 L HA 0.359 4.718 4.340 0.031 0.000 0.207 334 L C 1.837 178.751 176.870 0.074 0.000 1.090 334 L CA 1.116 56.001 54.840 0.074 0.000 0.802 334 L CB -0.448 41.671 42.059 0.100 0.000 0.947 334 L HN 0.335 nan 8.230 nan 0.000 0.453 335 L N -0.873 120.382 121.223 0.053 0.000 2.700 335 L HA 0.139 4.498 4.340 0.031 0.000 0.234 335 L C 1.947 178.836 176.870 0.031 0.000 1.156 335 L CA 0.011 54.877 54.840 0.043 0.000 0.946 335 L CB -0.131 41.939 42.059 0.017 0.000 1.216 335 L HN 0.290 nan 8.230 nan 0.000 0.493 336 E N 1.762 121.988 120.200 0.044 0.000 2.171 336 E HA -0.238 4.131 4.350 0.031 0.000 0.197 336 E C 1.272 177.892 176.600 0.034 0.000 0.997 336 E CA 1.475 57.901 56.400 0.044 0.000 0.810 336 E CB 0.268 30.003 29.700 0.059 0.000 0.738 336 E HN 0.455 nan 8.360 nan 0.000 0.467 337 K N 0.427 120.849 120.400 0.036 0.000 2.358 337 K HA 0.119 4.457 4.320 0.031 0.000 0.200 337 K C -0.022 176.599 176.600 0.034 0.000 1.030 337 K CA 0.122 56.427 56.287 0.031 0.000 1.097 337 K CB 1.403 33.919 32.500 0.027 0.000 0.862 337 K HN 0.033 nan 8.250 nan 0.000 0.534 338 V N -0.029 119.911 119.914 0.043 0.000 2.521 338 V HA 0.101 4.240 4.120 0.031 0.000 0.286 338 V C 0.582 176.703 176.094 0.044 0.000 1.034 338 V CA -0.196 62.133 62.300 0.049 0.000 1.045 338 V CB 1.194 33.058 31.823 0.068 0.000 0.974 338 V HN 0.119 nan 8.190 nan 0.000 0.480 339 K N 3.280 123.702 120.400 0.037 0.000 2.284 339 K HA 0.298 4.637 4.320 0.031 0.000 0.198 339 K C 0.441 177.077 176.600 0.060 0.000 1.048 339 K CA 0.527 56.836 56.287 0.037 0.000 0.987 339 K CB 0.282 32.792 32.500 0.017 0.000 0.800 339 K HN 0.722 nan 8.250 nan 0.000 0.486 340 R N 0.701 121.241 120.500 0.066 0.000 2.538 340 R HA 0.468 4.827 4.340 0.031 0.000 0.292 340 R C -1.132 175.247 176.300 0.132 0.000 1.008 340 R CA -0.369 55.809 56.100 0.129 0.000 0.896 340 R CB 1.957 32.282 30.300 0.042 0.000 1.187 340 R HN -0.056 nan 8.270 nan 0.000 0.440 341 I N 1.669 122.333 120.570 0.158 0.000 2.533 341 I HA 0.374 4.563 4.170 0.031 0.000 0.290 341 I C -0.579 175.604 176.117 0.110 0.000 1.056 341 I CA -0.629 60.739 61.300 0.113 0.000 1.057 341 I CB 2.774 40.816 38.000 0.070 0.000 1.240 341 I HN 0.498 nan 8.210 nan 0.000 0.423 342 T N 5.322 119.945 114.554 0.115 0.000 2.841 342 T HA 0.519 4.888 4.350 0.031 0.000 0.285 342 T C -0.652 174.089 174.700 0.068 0.000 0.991 342 T CA -0.460 61.696 62.100 0.094 0.000 0.966 342 T CB 2.026 70.977 68.868 0.138 0.000 0.962 342 T HN 0.205 nan 8.240 nan 0.000 0.438 343 V N 4.350 124.282 119.914 0.029 0.000 2.443 343 V HA 0.334 4.473 4.120 0.031 0.000 0.272 343 V C -0.235 175.859 176.094 0.000 0.000 1.002 343 V CA -0.886 61.427 62.300 0.022 0.000 0.840 343 V CB 1.041 32.870 31.823 0.010 0.000 1.042 343 V HN 0.952 nan 8.190 nan 0.000 0.446 344 E N 2.903 123.107 120.200 0.007 0.000 2.207 344 E HA 0.553 4.922 4.350 0.031 0.000 0.270 344 E C 0.169 176.761 176.600 -0.013 0.000 0.927 344 E CA -1.019 55.378 56.400 -0.005 0.000 0.799 344 E CB 1.327 31.031 29.700 0.006 0.000 1.172 344 E HN 0.272 nan 8.360 nan 0.000 0.404 345 N N 0.937 119.626 118.700 -0.018 0.000 2.714 345 N HA -0.180 4.579 4.740 0.031 0.000 0.252 345 N C -1.114 174.376 175.510 -0.033 0.000 1.014 345 N CA 1.013 54.052 53.050 -0.018 0.000 0.735 345 N CB -1.186 37.297 38.487 -0.006 0.000 0.924 345 N HN 0.480 nan 8.380 nan 0.000 0.540 346 S N 0.026 115.708 115.700 -0.030 0.000 2.902 346 S HA 0.208 4.697 4.470 0.031 0.000 0.250 346 S C 0.308 174.905 174.600 -0.005 0.000 1.046 346 S CA -0.286 57.889 58.200 -0.041 0.000 1.069 346 S CB 0.484 63.652 63.200 -0.053 0.000 0.967 346 S HN 0.453 nan 8.310 nan 0.000 0.530 347 K N 0.757 121.165 120.400 0.015 0.000 3.016 347 K HA -0.142 4.197 4.320 0.031 0.000 0.262 347 K C -0.364 176.274 176.600 0.065 0.000 1.043 347 K CA 0.213 56.528 56.287 0.047 0.000 0.761 347 K CB -1.893 30.645 32.500 0.064 0.000 1.230 347 K HN 0.288 nan 8.250 nan 0.000 0.485 348 V N 1.808 121.733 119.914 0.019 0.000 2.521 348 V HA 0.027 4.166 4.120 0.031 0.000 0.286 348 V C 0.994 177.107 176.094 0.033 0.000 1.034 348 V CA 0.761 63.048 62.300 -0.022 0.000 1.045 348 V CB 0.015 31.808 31.823 -0.049 0.000 0.974 348 V HN 0.392 nan 8.190 nan 0.000 0.480 349 F N 4.904 124.792 119.950 -0.105 0.000 2.784 349 F HA 0.666 5.211 4.527 0.031 0.000 0.323 349 F C -0.444 175.276 175.800 -0.134 0.000 1.085 349 F CA -0.470 57.440 58.000 -0.149 0.000 1.196 349 F CB 0.527 39.376 39.000 -0.251 0.000 1.053 349 F HN 0.359 nan 8.300 nan 0.000 0.578 350 L N 1.398 122.170 121.223 -0.751 0.000 2.565 350 L HA 0.693 5.052 4.340 0.031 0.000 0.261 350 L C -1.927 174.749 176.870 -0.323 0.000 0.932 350 L CA -0.789 53.766 54.840 -0.475 0.000 0.878 350 L CB 2.344 44.007 42.059 -0.660 0.000 1.333 350 L HN -0.138 nan 8.230 nan 0.000 0.409 351 V N 6.739 126.599 119.914 -0.090 0.000 2.266 351 V HA 0.428 4.567 4.120 0.031 0.000 0.271 351 V C -2.035 174.070 176.094 0.019 0.000 1.032 351 V CA -1.366 60.918 62.300 -0.027 0.000 0.806 351 V CB 1.073 33.025 31.823 0.216 0.000 1.052 351 V HN 0.709 nan 8.190 nan 0.000 0.449 352 P HA -0.101 nan 4.420 nan 0.000 0.263 352 P C 1.295 178.643 177.300 0.080 0.000 1.168 352 P CA 0.461 63.596 63.100 0.059 0.000 0.759 352 P CB 0.826 32.595 31.700 0.115 0.000 0.782 353 c N 3.444 122.046 118.600 0.003 0.000 2.385 353 c HA -0.201 4.388 4.570 0.031 0.000 0.275 353 c C 3.051 177.105 174.090 -0.059 0.000 1.207 353 c CA 2.294 58.579 56.329 -0.074 0.000 1.760 353 c CB -1.808 40.655 42.510 -0.078 0.000 2.051 353 c HN 0.752 nan 8.230 nan 0.000 0.467 354 S N -0.736 114.960 115.700 -0.006 0.000 2.442 354 S HA -0.175 4.314 4.470 0.031 0.000 0.236 354 S C 1.685 176.116 174.600 -0.281 0.000 1.007 354 S CA 1.553 59.708 58.200 -0.075 0.000 0.965 354 S CB -0.975 62.238 63.200 0.021 0.000 0.773 354 S HN 0.722 nan 8.310 nan 0.000 0.504 355 F N 2.590 122.377 119.950 -0.271 0.000 2.163 355 F HA 0.053 4.598 4.527 0.030 0.000 0.297 355 F C 2.519 178.276 175.800 -0.071 0.000 1.094 355 F CA 1.355 59.216 58.000 -0.232 0.000 1.290 355 F CB -0.474 38.560 39.000 0.058 0.000 1.017 355 F HN 0.167 nan 8.300 nan 0.000 0.483 356 S N -0.031 115.729 115.700 0.101 0.000 2.382 356 S HA -0.227 4.262 4.470 0.031 0.000 0.228 356 S C 1.768 176.300 174.600 -0.114 0.000 1.027 356 S CA 1.359 59.531 58.200 -0.047 0.000 0.991 356 S CB -0.445 62.358 63.200 -0.661 0.000 0.823 356 S HN 0.509 nan 8.310 nan 0.000 0.469 357 Q N -0.235 119.469 119.800 -0.160 0.000 2.291 357 Q HA -0.096 4.263 4.340 0.031 0.000 0.205 357 Q C 1.425 177.296 176.000 -0.214 0.000 0.970 357 Q CA 1.090 56.791 55.803 -0.170 0.000 0.876 357 Q CB -0.147 28.485 28.738 -0.176 0.000 0.935 357 Q HN 0.638 nan 8.270 nan 0.000 0.455 358 H N -0.461 118.450 119.070 -0.266 0.000 2.544 358 H HA 0.133 4.707 4.556 0.031 0.000 0.269 358 H C 0.282 175.522 175.328 -0.146 0.000 0.970 358 H CA 0.297 56.202 56.048 -0.239 0.000 1.219 358 H CB 0.371 29.905 29.762 -0.381 0.000 1.421 358 H HN 0.046 nan 8.280 nan 0.000 0.555 359 L N 1.526 122.746 121.223 -0.004 0.000 2.533 359 L HA 0.061 4.420 4.340 0.031 0.000 0.239 359 L C 1.096 178.014 176.870 0.081 0.000 1.376 359 L CA 0.113 54.989 54.840 0.060 0.000 1.240 359 L CB -0.015 42.154 42.059 0.182 0.000 1.487 359 L HN 0.195 nan 8.230 nan 0.000 0.419 360 K N -0.275 120.139 120.400 0.024 0.000 2.280 360 K HA -0.069 4.270 4.320 0.031 0.000 0.202 360 K C 1.572 178.192 176.600 0.035 0.000 1.047 360 K CA 0.948 57.245 56.287 0.016 0.000 0.942 360 K CB 0.140 32.627 32.500 -0.021 0.000 0.739 360 K HN 0.343 nan 8.250 nan 0.000 0.457 361 S N 0.428 116.151 115.700 0.039 0.000 2.540 361 S HA 0.094 4.583 4.470 0.031 0.000 0.218 361 S C -0.011 174.616 174.600 0.045 0.000 0.977 361 S CA -0.466 57.756 58.200 0.037 0.000 0.918 361 S CB 0.200 63.417 63.200 0.029 0.000 0.806 361 S HN 0.092 nan 8.310 nan 0.000 0.496 362 L N 3.230 124.487 121.223 0.057 0.000 2.562 362 L HA 0.113 4.471 4.340 0.031 0.000 0.271 362 L C 0.915 177.809 176.870 0.039 0.000 1.167 362 L CA 0.869 55.734 54.840 0.042 0.000 0.917 362 L CB 0.081 42.151 42.059 0.020 0.000 1.187 362 L HN 0.141 nan 8.230 nan 0.000 0.482 363 E N 3.898 124.129 120.200 0.052 0.000 2.290 363 E HA 0.060 4.429 4.350 0.031 0.000 0.197 363 E C -0.563 176.098 176.600 0.102 0.000 0.948 363 E CA 0.216 56.655 56.400 0.065 0.000 0.895 363 E CB 0.524 30.262 29.700 0.063 0.000 0.865 363 E HN 0.457 nan 8.360 nan 0.000 0.486 364 F N 1.462 121.360 119.950 -0.086 0.000 2.518 364 F HA 0.453 4.997 4.527 0.028 0.000 0.323 364 F C -1.605 174.105 175.800 -0.151 0.000 1.129 364 F CA -1.311 56.623 58.000 -0.110 0.000 0.920 364 F CB 1.460 40.406 39.000 -0.090 0.000 1.160 364 F HN -0.212 nan 8.300 nan 0.000 0.440 365 L N 6.544 127.353 121.223 -0.690 0.000 2.406 365 L HA 0.498 4.857 4.340 0.031 0.000 0.272 365 L C -1.757 174.680 176.870 -0.720 0.000 0.980 365 L CA -0.217 54.264 54.840 -0.598 0.000 0.831 365 L CB 1.481 43.124 42.059 -0.692 0.000 1.253 365 L HN 0.598 nan 8.230 nan 0.000 0.406 366 D N 5.184 125.299 120.400 -0.476 0.000 2.453 366 D HA 0.320 4.979 4.640 0.031 0.000 0.238 366 D C -0.337 175.868 176.300 -0.158 0.000 1.088 366 D CA -0.091 53.715 54.000 -0.323 0.000 0.854 366 D CB 1.137 41.864 40.800 -0.121 0.000 1.076 366 D HN 0.663 nan 8.370 nan 0.000 0.533 367 L N 2.476 123.610 121.223 -0.149 0.000 3.062 367 L HA 0.217 4.576 4.340 0.031 0.000 0.255 367 L C 0.594 177.429 176.870 -0.058 0.000 1.274 367 L CA -0.353 54.436 54.840 -0.085 0.000 1.047 367 L CB 0.319 42.332 42.059 -0.076 0.000 1.402 367 L HN 0.151 nan 8.230 nan 0.000 0.550 368 S N 0.642 116.311 115.700 -0.052 0.000 2.563 368 S HA -0.008 4.481 4.470 0.031 0.000 0.284 368 S C 0.671 175.248 174.600 -0.040 0.000 1.331 368 S CA 0.012 58.189 58.200 -0.039 0.000 1.047 368 S CB 0.261 63.449 63.200 -0.020 0.000 0.859 368 S HN 0.486 nan 8.310 nan 0.000 0.514 369 E N 0.269 120.437 120.200 -0.053 0.000 2.297 369 E HA -0.252 4.117 4.350 0.031 0.000 0.228 369 E C -0.406 176.155 176.600 -0.066 0.000 1.213 369 E CA 0.404 56.767 56.400 -0.062 0.000 0.712 369 E CB -1.664 28.017 29.700 -0.033 0.000 1.202 369 E HN 0.607 nan 8.360 nan 0.000 0.376 370 N N -0.619 118.028 118.700 -0.088 0.000 3.255 370 N HA 0.597 5.356 4.740 0.031 0.000 0.359 370 N C 0.080 175.523 175.510 -0.113 0.000 1.463 370 N CA -0.848 52.163 53.050 -0.065 0.000 0.695 370 N CB 0.746 39.213 38.487 -0.033 0.000 1.581 370 N HN -0.018 nan 8.380 nan 0.000 0.622 371 L N 0.785 121.996 121.223 -0.020 0.000 3.110 371 L HA 0.425 4.784 4.340 0.031 0.000 0.266 371 L C -0.518 176.420 176.870 0.113 0.000 1.257 371 L CA -0.216 54.655 54.840 0.052 0.000 1.038 371 L CB 0.004 42.154 42.059 0.152 0.000 1.395 371 L HN 0.343 nan 8.230 nan 0.000 0.566 372 M N 2.296 121.931 119.600 0.059 0.000 2.248 372 M HA 0.220 4.719 4.480 0.031 0.000 0.345 372 M C 0.065 176.458 176.300 0.153 0.000 1.243 372 M CA 0.267 55.637 55.300 0.117 0.000 1.090 372 M CB 0.994 33.656 32.600 0.102 0.000 1.683 372 M HN 0.061 nan 8.290 nan 0.000 0.450 373 V N 0.786 120.828 119.914 0.214 0.000 2.962 373 V HA 0.491 4.629 4.120 0.031 0.000 0.313 373 V C 0.835 177.065 176.094 0.227 0.000 1.099 373 V CA -0.808 61.623 62.300 0.218 0.000 0.971 373 V CB 1.746 33.709 31.823 0.234 0.000 1.028 373 V HN 0.792 nan 8.190 nan 0.000 0.430 374 E N 1.735 122.036 120.200 0.169 0.000 2.072 374 E HA -0.278 4.091 4.350 0.031 0.000 0.218 374 E C 1.698 178.362 176.600 0.107 0.000 1.051 374 E CA 2.721 59.200 56.400 0.130 0.000 0.880 374 E CB -0.418 29.343 29.700 0.102 0.000 0.783 374 E HN 1.004 nan 8.360 nan 0.000 0.473 375 E N -0.753 119.496 120.200 0.081 0.000 2.136 375 E HA -0.228 4.141 4.350 0.031 0.000 0.202 375 E C 2.006 178.519 176.600 -0.146 0.000 1.019 375 E CA 1.722 58.087 56.400 -0.058 0.000 0.819 375 E CB -0.397 29.222 29.700 -0.135 0.000 0.739 375 E HN 0.460 nan 8.360 nan 0.000 0.458 376 Y N -0.822 119.527 120.300 0.080 0.000 2.490 376 Y HA 0.099 4.667 4.550 0.031 0.000 0.285 376 Y C 1.891 177.826 175.900 0.058 0.000 1.117 376 Y CA 0.168 58.317 58.100 0.082 0.000 1.262 376 Y CB -0.045 38.502 38.460 0.146 0.000 1.043 376 Y HN 0.043 nan 8.280 nan 0.000 0.553 377 L N 0.916 122.258 121.223 0.199 0.000 2.093 377 L HA -0.125 4.234 4.340 0.031 0.000 0.208 377 L C 2.290 179.198 176.870 0.064 0.000 1.085 377 L CA 1.764 56.695 54.840 0.151 0.000 0.755 377 L CB -0.599 41.556 42.059 0.160 0.000 0.904 377 L HN 0.053 nan 8.230 nan 0.000 0.435 378 K N -0.529 119.889 120.400 0.029 0.000 2.113 378 K HA -0.257 4.082 4.320 0.031 0.000 0.208 378 K C 2.070 178.634 176.600 -0.060 0.000 1.047 378 K CA 1.712 57.985 56.287 -0.023 0.000 0.928 378 K CB -0.270 32.207 32.500 -0.039 0.000 0.716 378 K HN 0.552 nan 8.250 nan 0.000 0.446 379 N N -0.229 118.440 118.700 -0.052 0.000 2.250 379 N HA -0.065 4.694 4.740 0.031 0.000 0.181 379 N C 1.353 176.798 175.510 -0.108 0.000 1.017 379 N CA 0.997 54.006 53.050 -0.069 0.000 0.866 379 N CB 0.124 38.588 38.487 -0.039 0.000 0.985 379 N HN 0.064 nan 8.380 nan 0.000 0.429 380 S N 0.219 115.868 115.700 -0.084 0.000 2.423 380 S HA 0.042 4.530 4.470 0.031 0.000 0.231 380 S C 1.224 175.458 174.600 -0.610 0.000 1.014 380 S CA 0.762 58.852 58.200 -0.183 0.000 0.965 380 S CB 0.052 63.294 63.200 0.070 0.000 0.785 380 S HN 0.498 nan 8.310 nan 0.000 0.495 381 A N 1.269 123.845 122.820 -0.406 0.000 3.106 381 A HA 0.436 4.774 4.320 0.031 0.000 0.306 381 A C 0.762 178.177 177.584 -0.281 0.000 1.192 381 A CA -0.777 50.983 52.037 -0.461 0.000 0.994 381 A CB -1.067 17.852 19.000 -0.135 0.000 1.107 381 A HN 0.597 nan 8.150 nan 0.000 0.585 382 c N -1.475 116.949 118.600 -0.294 0.000 2.713 382 c HA 0.472 5.061 4.570 0.031 0.000 0.330 382 c C 2.013 176.008 174.090 -0.158 0.000 1.416 382 c CA -0.127 56.092 56.329 -0.183 0.000 2.351 382 c CB 0.238 42.653 42.510 -0.159 0.000 2.388 382 c HN 0.716 nan 8.230 nan 0.000 0.729 383 K N 1.286 121.622 120.400 -0.108 0.000 2.023 383 K HA -0.135 4.204 4.320 0.031 0.000 0.227 383 K C 1.747 178.295 176.600 -0.087 0.000 1.054 383 K CA 2.636 58.874 56.287 -0.081 0.000 0.977 383 K CB -1.193 31.268 32.500 -0.065 0.000 0.733 383 K HN 0.999 nan 8.250 nan 0.000 0.451 384 G N -1.070 107.668 108.800 -0.102 0.000 3.383 384 G HA2 0.411 4.390 3.960 0.031 0.000 0.251 384 G HA3 0.411 4.390 3.960 0.031 0.000 0.251 384 G C -0.220 174.602 174.900 -0.131 0.000 1.203 384 G CA 0.166 45.208 45.100 -0.096 0.000 0.852 384 G HN 0.584 nan 8.290 nan 0.000 0.531 385 A N 0.037 122.730 122.820 -0.212 0.000 2.462 385 A HA 0.421 4.760 4.320 0.031 0.000 0.243 385 A C 0.718 178.207 177.584 -0.158 0.000 1.076 385 A CA -0.385 51.416 52.037 -0.393 0.000 0.773 385 A CB -0.156 18.390 19.000 -0.757 0.000 1.010 385 A HN 0.636 nan 8.150 nan 0.000 0.493 386 W N -0.004 121.294 121.300 -0.003 0.000 7.512 386 W HA -0.133 4.550 4.660 0.039 0.000 0.420 386 W C -2.178 174.340 176.519 -0.002 0.000 1.669 386 W CA 0.026 57.371 57.345 0.001 0.000 1.211 386 W CB -2.731 26.737 29.460 0.014 0.000 2.898 386 W HN 0.573 nan 8.180 nan 0.000 1.644 387 P HA 0.066 nan 4.420 nan 0.000 0.269 387 P C 0.948 178.308 177.300 0.101 0.000 1.209 387 P CA 1.915 65.070 63.100 0.092 0.000 0.776 387 P CB 1.296 33.018 31.700 0.036 0.000 0.876 388 S N -0.718 115.031 115.700 0.082 0.000 3.382 388 S HA -0.227 4.262 4.470 0.031 0.000 0.293 388 S C -0.005 174.641 174.600 0.076 0.000 1.262 388 S CA 0.581 58.822 58.200 0.068 0.000 0.969 388 S CB -2.558 60.672 63.200 0.051 0.000 1.136 388 S HN 0.485 nan 8.310 nan 0.000 0.635 389 L N 1.759 123.044 121.223 0.104 0.000 2.360 389 L HA 0.481 4.840 4.340 0.031 0.000 0.276 389 L C 1.289 178.192 176.870 0.056 0.000 1.121 389 L CA 0.514 55.397 54.840 0.072 0.000 0.845 389 L CB 0.606 42.723 42.059 0.096 0.000 1.143 389 L HN 0.413 nan 8.230 nan 0.000 0.452 390 Q N 1.958 121.780 119.800 0.038 0.000 2.394 390 Q HA 0.198 4.557 4.340 0.031 0.000 0.218 390 Q C -0.358 175.656 176.000 0.023 0.000 0.907 390 Q CA 0.564 56.391 55.803 0.040 0.000 0.919 390 Q CB 0.579 29.343 28.738 0.043 0.000 1.051 390 Q HN 0.734 nan 8.270 nan 0.000 0.538 391 T N 1.058 115.609 114.554 -0.005 0.000 2.841 391 T HA 0.522 4.891 4.350 0.031 0.000 0.285 391 T C -1.483 173.062 174.700 -0.258 0.000 0.991 391 T CA -0.521 61.537 62.100 -0.070 0.000 0.966 391 T CB 1.810 70.717 68.868 0.064 0.000 0.962 391 T HN -0.073 nan 8.240 nan 0.000 0.438 392 L N 4.055 125.151 121.223 -0.211 0.000 2.385 392 L HA 0.788 5.146 4.340 0.031 0.000 0.273 392 L C -1.357 175.387 176.870 -0.210 0.000 0.990 392 L CA -0.697 53.985 54.840 -0.264 0.000 0.821 392 L CB 1.827 43.818 42.059 -0.115 0.000 1.279 392 L HN 0.493 nan 8.230 nan 0.000 0.412 393 V N 7.081 126.821 119.914 -0.289 0.000 2.376 393 V HA 0.403 4.542 4.120 0.031 0.000 0.287 393 V C 0.172 176.202 176.094 -0.107 0.000 1.015 393 V CA -0.213 61.987 62.300 -0.166 0.000 0.834 393 V CB 1.492 33.194 31.823 -0.201 0.000 1.001 393 V HN 0.692 nan 8.190 nan 0.000 0.428 394 L N 3.296 124.505 121.223 -0.024 0.000 3.218 394 L HA 0.222 4.581 4.340 0.031 0.000 0.279 394 L C 1.975 178.850 176.870 0.008 0.000 1.287 394 L CA 0.180 55.020 54.840 0.001 0.000 1.024 394 L CB 0.883 42.977 42.059 0.059 0.000 1.409 394 L HN 0.740 nan 8.230 nan 0.000 0.580 395 S N 0.688 116.387 115.700 -0.002 0.000 2.400 395 S HA -0.264 4.225 4.470 0.031 0.000 0.234 395 S C 1.089 175.670 174.600 -0.032 0.000 1.049 395 S CA 1.798 59.998 58.200 -0.000 0.000 1.039 395 S CB 0.021 63.222 63.200 0.001 0.000 0.856 395 S HN 0.632 nan 8.310 nan 0.000 0.465 396 Q N 0.318 120.082 119.800 -0.062 0.000 3.429 396 Q HA 0.359 4.718 4.340 0.031 0.000 0.237 396 Q C -1.166 174.729 176.000 -0.175 0.000 0.932 396 Q CA -0.419 55.322 55.803 -0.104 0.000 0.731 396 Q CB 0.216 28.904 28.738 -0.083 0.000 1.383 396 Q HN 0.437 nan 8.270 nan 0.000 0.446 397 N N -0.423 118.156 118.700 -0.202 0.000 3.178 397 N HA 0.409 5.168 4.740 0.031 0.000 0.352 397 N C -0.841 174.418 175.510 -0.418 0.000 1.423 397 N CA -0.622 52.246 53.050 -0.302 0.000 0.698 397 N CB 0.660 39.071 38.487 -0.127 0.000 1.400 397 N HN 0.262 nan 8.380 nan 0.000 0.586 398 H N 0.211 119.253 119.070 -0.046 0.000 2.505 398 H HA 0.369 4.946 4.556 0.034 0.000 0.260 398 H C -0.698 174.587 175.328 -0.073 0.000 1.232 398 H CA -0.218 55.790 56.048 -0.068 0.000 0.991 398 H CB -0.466 29.275 29.762 -0.035 0.000 1.729 398 H HN 0.167 nan 8.280 nan 0.000 0.561 399 L N 0.589 121.783 121.223 -0.048 0.000 2.371 399 L HA 0.262 4.621 4.340 0.031 0.000 0.272 399 L C 1.400 178.141 176.870 -0.216 0.000 1.124 399 L CA -0.213 54.599 54.840 -0.046 0.000 0.816 399 L CB 1.276 43.344 42.059 0.014 0.000 1.129 399 L HN 0.095 nan 8.230 nan 0.000 0.448 400 R N 0.369 120.840 120.500 -0.049 0.000 2.342 400 R HA 0.161 4.520 4.340 0.031 0.000 0.204 400 R C 0.099 176.457 176.300 0.097 0.000 0.882 400 R CA 0.167 56.173 56.100 -0.155 0.000 1.041 400 R CB 0.868 31.083 30.300 -0.141 0.000 1.188 400 R HN 0.552 nan 8.270 nan 0.000 0.598 401 S N 0.440 116.331 115.700 0.318 0.000 2.596 401 S HA 0.323 4.812 4.470 0.031 0.000 0.318 401 S C 0.917 175.631 174.600 0.190 0.000 1.097 401 S CA -0.405 57.979 58.200 0.305 0.000 1.080 401 S CB 1.016 64.338 63.200 0.204 0.000 0.991 401 S HN 0.073 nan 8.310 nan 0.000 0.471 402 M N 3.547 123.093 119.600 -0.091 0.000 2.086 402 M HA -0.141 4.358 4.480 0.031 0.000 0.261 402 M C 2.308 178.431 176.300 -0.294 0.000 1.067 402 M CA 1.770 56.842 55.300 -0.379 0.000 1.116 402 M CB -0.284 32.057 32.600 -0.431 0.000 1.348 402 M HN 0.905 nan 8.290 nan 0.000 0.407 403 Q N 0.169 119.846 119.800 -0.205 0.000 2.061 403 Q HA -0.240 4.119 4.340 0.031 0.000 0.204 403 Q C 2.058 177.912 176.000 -0.243 0.000 0.984 403 Q CA 1.546 57.194 55.803 -0.259 0.000 0.846 403 Q CB -0.004 28.656 28.738 -0.130 0.000 0.902 403 Q HN 0.146 nan 8.270 nan 0.000 0.421 404 K N -0.267 120.067 120.400 -0.110 0.000 2.057 404 K HA -0.093 4.246 4.320 0.031 0.000 0.207 404 K C 2.069 178.620 176.600 -0.081 0.000 1.049 404 K CA 1.737 57.983 56.287 -0.069 0.000 0.931 404 K CB -0.512 31.994 32.500 0.010 0.000 0.714 404 K HN 0.299 nan 8.250 nan 0.000 0.440 405 T N -0.132 114.386 114.554 -0.059 0.000 2.674 405 T HA -0.132 4.237 4.350 0.031 0.000 0.265 405 T C 1.802 176.418 174.700 -0.139 0.000 1.039 405 T CA 1.708 63.800 62.100 -0.012 0.000 1.150 405 T CB -0.578 68.359 68.868 0.116 0.000 0.864 405 T HN 0.452 nan 8.240 nan 0.000 0.427 406 G N 0.833 109.348 108.800 -0.475 0.000 2.440 406 G HA2 -0.275 3.704 3.960 0.031 0.000 0.218 406 G HA3 -0.275 3.704 3.960 0.031 0.000 0.218 406 G C 1.386 176.065 174.900 -0.367 0.000 1.154 406 G CA 1.236 45.887 45.100 -0.747 0.000 0.767 406 G HN 0.617 nan 8.290 nan 0.000 0.552 407 E N 0.007 120.022 120.200 -0.308 0.000 2.077 407 E HA -0.089 4.280 4.350 0.031 0.000 0.193 407 E C 2.454 179.000 176.600 -0.091 0.000 0.989 407 E CA 0.746 57.041 56.400 -0.174 0.000 0.800 407 E CB -0.208 29.405 29.700 -0.146 0.000 0.746 407 E HN 0.525 nan 8.360 nan 0.000 0.452 408 I N 0.783 121.313 120.570 -0.066 0.000 2.315 408 I HA -0.233 3.956 4.170 0.031 0.000 0.248 408 I C 1.933 178.056 176.117 0.010 0.000 1.117 408 I CA 0.759 62.047 61.300 -0.020 0.000 1.404 408 I CB -0.016 37.988 38.000 0.007 0.000 1.071 408 I HN 0.201 nan 8.210 nan 0.000 0.419 409 L N 0.385 121.629 121.223 0.034 0.000 2.610 409 L HA -0.034 4.325 4.340 0.031 0.000 0.232 409 L C 2.035 178.955 176.870 0.083 0.000 1.149 409 L CA 0.139 55.036 54.840 0.096 0.000 0.872 409 L CB -0.283 41.875 42.059 0.165 0.000 0.992 409 L HN 0.302 nan 8.230 nan 0.000 0.447 410 L N -0.157 121.087 121.223 0.035 0.000 2.265 410 L HA -0.164 4.195 4.340 0.031 0.000 0.215 410 L C 2.725 179.617 176.870 0.037 0.000 1.117 410 L CA 1.553 56.414 54.840 0.036 0.000 0.782 410 L CB -0.826 41.234 42.059 0.002 0.000 0.914 410 L HN 0.471 nan 8.230 nan 0.000 0.441 411 T N -2.215 112.355 114.554 0.026 0.000 2.962 411 T HA -0.080 4.289 4.350 0.031 0.000 0.270 411 T C 0.939 175.663 174.700 0.041 0.000 1.088 411 T CA 0.416 62.524 62.100 0.013 0.000 1.127 411 T CB -0.439 68.415 68.868 -0.023 0.000 0.883 411 T HN 0.192 nan 8.240 nan 0.000 0.493 412 L N 1.972 123.245 121.223 0.083 0.000 2.356 412 L HA 0.340 4.699 4.340 0.031 0.000 0.282 412 L C 1.205 178.134 176.870 0.097 0.000 1.132 412 L CA -0.840 54.071 54.840 0.118 0.000 0.923 412 L CB 0.514 42.682 42.059 0.182 0.000 1.278 412 L HN -0.017 nan 8.230 nan 0.000 0.436 413 K N 0.932 121.377 120.400 0.074 0.000 2.211 413 K HA -0.032 4.307 4.320 0.031 0.000 0.203 413 K C 0.907 177.546 176.600 0.066 0.000 1.050 413 K CA 0.860 57.185 56.287 0.063 0.000 0.945 413 K CB 0.044 32.571 32.500 0.045 0.000 0.732 413 K HN 0.512 nan 8.250 nan 0.000 0.451 414 N N 0.832 119.575 118.700 0.071 0.000 2.280 414 N HA -0.006 4.753 4.740 0.031 0.000 0.192 414 N C 0.031 175.583 175.510 0.070 0.000 1.109 414 N CA -0.143 52.946 53.050 0.064 0.000 0.855 414 N CB 0.161 38.683 38.487 0.059 0.000 0.974 414 N HN 0.048 nan 8.380 nan 0.000 0.482 415 L N 2.058 123.333 121.223 0.086 0.000 2.534 415 L HA 0.018 4.377 4.340 0.031 0.000 0.271 415 L C 1.516 178.434 176.870 0.081 0.000 1.178 415 L CA 0.713 55.606 54.840 0.088 0.000 0.907 415 L CB 0.579 42.708 42.059 0.117 0.000 1.164 415 L HN 0.114 nan 8.230 nan 0.000 0.482 416 T N -1.496 113.097 114.554 0.066 0.000 2.955 416 T HA 0.270 4.639 4.350 0.031 0.000 0.251 416 T C 0.503 175.255 174.700 0.087 0.000 1.002 416 T CA 0.132 62.272 62.100 0.067 0.000 0.970 416 T CB 0.125 69.023 68.868 0.050 0.000 1.091 416 T HN 0.465 nan 8.240 nan 0.000 0.495 417 S N 1.450 117.194 115.700 0.073 0.000 2.561 417 S HA 0.755 5.244 4.470 0.031 0.000 0.303 417 S C -1.523 173.153 174.600 0.125 0.000 1.110 417 S CA -0.771 57.496 58.200 0.111 0.000 1.034 417 S CB 1.999 65.139 63.200 -0.100 0.000 1.010 417 S HN 0.410 nan 8.310 nan 0.000 0.482 418 L N 3.041 124.400 121.223 0.227 0.000 2.381 418 L HA 0.705 5.064 4.340 0.031 0.000 0.274 418 L C -1.615 175.374 176.870 0.199 0.000 0.988 418 L CA -0.259 54.675 54.840 0.158 0.000 0.824 418 L CB 1.789 43.919 42.059 0.118 0.000 1.263 418 L HN 0.571 nan 8.230 nan 0.000 0.410 419 D N 5.163 125.657 120.400 0.157 0.000 2.440 419 D HA 0.396 5.055 4.640 0.031 0.000 0.239 419 D C -0.058 176.314 176.300 0.120 0.000 1.084 419 D CA -0.252 53.841 54.000 0.156 0.000 0.843 419 D CB 0.961 41.858 40.800 0.161 0.000 1.097 419 D HN 0.566 nan 8.370 nan 0.000 0.531 420 I N 1.139 121.794 120.570 0.142 0.000 3.491 420 I HA 0.276 4.465 4.170 0.031 0.000 0.332 420 I C 0.316 176.564 176.117 0.217 0.000 1.565 420 I CA -0.725 60.705 61.300 0.217 0.000 1.050 420 I CB 0.144 38.368 38.000 0.374 0.000 1.348 420 I HN 0.129 nan 8.210 nan 0.000 0.506 421 S N 1.023 116.789 115.700 0.111 0.000 2.606 421 S HA 0.315 4.804 4.470 0.031 0.000 0.257 421 S C 0.891 175.503 174.600 0.021 0.000 1.327 421 S CA -0.286 57.953 58.200 0.064 0.000 0.984 421 S CB 0.385 63.591 63.200 0.011 0.000 0.941 421 S HN 0.646 nan 8.310 nan 0.000 0.576 422 R N -0.288 120.206 120.500 -0.010 0.000 3.610 422 R HA -0.206 4.153 4.340 0.031 0.000 0.274 422 R C -1.135 175.101 176.300 -0.107 0.000 1.123 422 R CA 0.931 57.002 56.100 -0.049 0.000 0.747 422 R CB -2.430 27.841 30.300 -0.047 0.000 1.149 422 R HN 0.706 nan 8.270 nan 0.000 0.471 423 N N -0.777 117.819 118.700 -0.173 0.000 2.284 423 N HA 0.213 4.972 4.740 0.031 0.000 0.300 423 N C -0.914 174.288 175.510 -0.515 0.000 1.047 423 N CA -0.558 52.246 53.050 -0.409 0.000 0.821 423 N CB 1.767 39.845 38.487 -0.681 0.000 1.337 423 N HN -0.059 nan 8.380 nan 0.000 0.482 424 T N 2.616 116.925 114.554 -0.409 0.000 2.855 424 T HA 0.229 4.597 4.350 0.031 0.000 0.290 424 T C -0.356 174.110 174.700 -0.391 0.000 0.941 424 T CA 0.125 62.057 62.100 -0.280 0.000 1.030 424 T CB -0.807 67.972 68.868 -0.148 0.000 0.935 424 T HN 0.211 nan 8.240 nan 0.000 0.564 425 F N 2.188 122.092 119.950 -0.077 0.000 2.377 425 F HA 0.345 4.889 4.527 0.028 0.000 0.328 425 F C 1.448 177.185 175.800 -0.104 0.000 1.094 425 F CA -1.122 56.807 58.000 -0.120 0.000 1.093 425 F CB 0.910 39.903 39.000 -0.013 0.000 1.214 425 F HN 0.433 nan 8.300 nan 0.000 0.518 426 H N 0.796 120.035 119.070 0.282 0.000 2.546 426 H HA 0.227 4.803 4.556 0.033 0.000 0.365 426 H C -2.113 173.298 175.328 0.139 0.000 1.220 426 H CA -2.090 54.051 56.048 0.155 0.000 1.386 426 H CB 0.100 29.930 29.762 0.113 0.000 1.510 426 H HN 0.202 nan 8.280 nan 0.000 0.591 427 P HA -0.042 nan 4.420 nan 0.000 0.264 427 P C 0.370 177.736 177.300 0.110 0.000 1.183 427 P CA 0.237 63.418 63.100 0.135 0.000 0.763 427 P CB 0.289 32.045 31.700 0.094 0.000 0.807 428 M N 4.526 124.170 119.600 0.073 0.000 2.233 428 M HA 0.413 4.912 4.480 0.031 0.000 0.350 428 M C -2.144 174.178 176.300 0.037 0.000 1.176 428 M CA -1.540 53.786 55.300 0.044 0.000 1.150 428 M CB 0.118 32.738 32.600 0.034 0.000 1.530 428 M HN 0.131 nan 8.290 nan 0.000 0.459 429 P HA 0.174 nan 4.420 nan 0.000 0.296 429 P C -0.730 176.582 177.300 0.019 0.000 1.295 429 P CA 0.074 63.183 63.100 0.016 0.000 0.754 429 P CB 0.451 32.151 31.700 0.000 0.000 1.311 430 D N -2.123 118.285 120.400 0.013 0.000 2.355 430 D HA 0.070 4.729 4.640 0.031 0.000 0.206 430 D C 0.525 176.839 176.300 0.024 0.000 1.010 430 D CA 0.778 54.787 54.000 0.015 0.000 0.875 430 D CB 0.137 40.941 40.800 0.006 0.000 0.966 430 D HN 0.142 nan 8.370 nan 0.000 0.512 431 S N -0.567 115.144 115.700 0.018 0.000 2.557 431 S HA 0.648 5.137 4.470 0.031 0.000 0.291 431 S C -1.087 173.514 174.600 0.001 0.000 1.116 431 S CA -0.695 57.518 58.200 0.021 0.000 0.992 431 S CB 0.624 63.829 63.200 0.009 0.000 1.028 431 S HN 0.160 nan 8.310 nan 0.000 0.484 432 c N 2.670 121.279 118.600 0.015 0.000 3.213 432 c HA 0.702 5.291 4.570 0.031 0.000 0.319 432 c C -1.359 172.672 174.090 -0.097 0.000 1.386 432 c CA -0.768 55.505 56.329 -0.094 0.000 1.494 432 c CB 2.256 44.684 42.510 -0.137 0.000 1.905 432 c HN 0.796 nan 8.230 nan 0.000 0.456 433 Q N 0.383 120.016 119.800 -0.277 0.000 2.310 433 Q HA 0.419 4.778 4.340 0.031 0.000 0.270 433 Q C -1.675 174.136 176.000 -0.315 0.000 1.025 433 Q CA 0.072 55.776 55.803 -0.164 0.000 0.772 433 Q CB 2.076 30.738 28.738 -0.126 0.000 1.253 433 Q HN 0.754 nan 8.270 nan 0.000 0.450 434 W N 2.629 123.933 121.300 0.007 0.000 2.902 434 W HA 0.466 5.148 4.660 0.036 0.000 0.346 434 W C -1.941 174.591 176.519 0.022 0.000 1.139 434 W CA -1.770 55.583 57.345 0.013 0.000 1.139 434 W CB 0.607 30.072 29.460 0.010 0.000 1.439 434 W HN 0.370 nan 8.180 nan 0.000 0.558 435 P HA -0.054 nan 4.420 nan 0.000 0.265 435 P C 0.650 178.047 177.300 0.162 0.000 1.193 435 P CA 0.532 63.746 63.100 0.191 0.000 0.765 435 P CB 1.050 32.858 31.700 0.180 0.000 0.823 436 E N 3.062 123.330 120.200 0.114 0.000 2.095 436 E HA -0.235 4.133 4.350 0.031 0.000 0.212 436 E C 0.969 177.616 176.600 0.078 0.000 1.044 436 E CA 1.897 58.350 56.400 0.088 0.000 0.857 436 E CB -0.161 29.578 29.700 0.066 0.000 0.764 436 E HN 0.596 nan 8.360 nan 0.000 0.462 437 K N 0.195 120.638 120.400 0.073 0.000 2.476 437 K HA 0.154 4.493 4.320 0.031 0.000 0.196 437 K C 0.847 177.484 176.600 0.061 0.000 1.025 437 K CA -0.293 56.030 56.287 0.060 0.000 1.138 437 K CB -0.037 32.496 32.500 0.055 0.000 0.860 437 K HN 0.119 nan 8.250 nan 0.000 0.515 438 M N 2.456 122.098 119.600 0.069 0.000 2.307 438 M HA -0.025 4.474 4.480 0.031 0.000 0.346 438 M C 0.894 177.205 176.300 0.018 0.000 1.552 438 M CA 0.636 55.966 55.300 0.049 0.000 1.116 438 M CB 0.231 32.851 32.600 0.033 0.000 1.889 438 M HN 0.158 nan 8.290 nan 0.000 0.460 439 R N 4.053 124.582 120.500 0.049 0.000 2.487 439 R HA 0.235 4.593 4.340 0.031 0.000 0.272 439 R C -0.696 175.662 176.300 0.096 0.000 0.928 439 R CA -0.295 55.834 56.100 0.048 0.000 1.077 439 R CB 0.484 30.820 30.300 0.061 0.000 1.265 439 R HN 0.508 nan 8.270 nan 0.000 0.537 440 F N 1.551 121.465 119.950 -0.061 0.000 2.518 440 F HA 0.589 5.128 4.527 0.020 0.000 0.323 440 F C -1.756 173.984 175.800 -0.101 0.000 1.129 440 F CA -1.498 56.467 58.000 -0.060 0.000 0.920 440 F CB 2.161 41.146 39.000 -0.026 0.000 1.160 440 F HN -0.068 nan 8.300 nan 0.000 0.440 441 L N 6.906 127.817 121.223 -0.520 0.000 2.482 441 L HA 0.470 4.829 4.340 0.031 0.000 0.269 441 L C -1.834 174.735 176.870 -0.501 0.000 0.967 441 L CA -0.364 54.236 54.840 -0.400 0.000 0.851 441 L CB 1.515 43.322 42.059 -0.420 0.000 1.242 441 L HN 0.660 nan 8.230 nan 0.000 0.404 442 N N 5.520 124.033 118.700 -0.311 0.000 2.457 442 N HA 0.383 5.142 4.740 0.031 0.000 0.250 442 N C -0.623 174.835 175.510 -0.087 0.000 0.982 442 N CA -0.207 52.712 53.050 -0.218 0.000 0.941 442 N CB 0.992 39.454 38.487 -0.043 0.000 1.120 442 N HN 0.787 nan 8.380 nan 0.000 0.505 443 L N 1.584 122.752 121.223 -0.092 0.000 3.141 443 L HA 0.227 4.586 4.340 0.031 0.000 0.267 443 L C 0.799 177.669 176.870 -0.001 0.000 1.281 443 L CA -0.259 54.579 54.840 -0.003 0.000 1.037 443 L CB 0.205 42.254 42.059 -0.016 0.000 1.407 443 L HN 0.371 nan 8.230 nan 0.000 0.566 444 S N -0.218 115.450 115.700 -0.054 0.000 2.564 444 S HA 0.127 4.616 4.470 0.031 0.000 0.278 444 S C 0.988 175.563 174.600 -0.042 0.000 1.333 444 S CA 0.011 58.156 58.200 -0.092 0.000 1.048 444 S CB 0.434 63.525 63.200 -0.181 0.000 0.900 444 S HN 0.456 nan 8.310 nan 0.000 0.505 445 S N 2.889 118.561 115.700 -0.046 0.000 3.631 445 S HA -0.133 4.356 4.470 0.031 0.000 0.366 445 S C 0.617 175.220 174.600 0.005 0.000 0.993 445 S CA 0.979 59.163 58.200 -0.026 0.000 1.167 445 S CB -2.075 61.100 63.200 -0.041 0.000 0.909 445 S HN 0.851 nan 8.310 nan 0.000 0.478 446 T N -0.483 114.099 114.554 0.047 0.000 3.054 446 T HA 0.445 4.813 4.350 0.031 0.000 0.255 446 T C 1.611 176.375 174.700 0.106 0.000 1.035 446 T CA 1.114 63.282 62.100 0.113 0.000 0.941 446 T CB -0.198 68.820 68.868 0.250 0.000 1.026 446 T HN 1.516 nan 8.240 nan 0.000 0.533 447 G N 2.281 111.118 108.800 0.063 0.000 2.220 447 G HA2 -0.273 3.705 3.960 0.031 0.000 0.269 447 G HA3 -0.273 3.705 3.960 0.031 0.000 0.269 447 G C 0.347 175.295 174.900 0.080 0.000 0.977 447 G CA 0.429 45.564 45.100 0.059 0.000 0.634 447 G HN 0.795 nan 8.290 nan 0.000 0.539 448 I N -2.004 118.627 120.570 0.103 0.000 2.815 448 I HA 0.426 4.615 4.170 0.031 0.000 0.291 448 I C 1.280 177.442 176.117 0.075 0.000 1.209 448 I CA 0.091 61.450 61.300 0.099 0.000 1.431 448 I CB 0.374 38.435 38.000 0.102 0.000 1.351 448 I HN 0.033 nan 8.210 nan 0.000 0.585 449 R N 3.432 123.974 120.500 0.069 0.000 2.344 449 R HA 0.393 4.752 4.340 0.031 0.000 0.209 449 R C -0.368 175.965 176.300 0.054 0.000 0.886 449 R CA 0.027 56.161 56.100 0.057 0.000 1.040 449 R CB 0.906 31.236 30.300 0.049 0.000 1.114 449 R HN 0.597 nan 8.270 nan 0.000 0.547 450 V N 0.423 120.368 119.914 0.052 0.000 3.102 450 V HA 0.442 4.580 4.120 0.031 0.000 0.312 450 V C -0.690 175.424 176.094 0.034 0.000 1.135 450 V CA -0.949 61.373 62.300 0.036 0.000 1.022 450 V CB 2.778 34.615 31.823 0.024 0.000 1.056 450 V HN -0.277 nan 8.190 nan 0.000 0.436 451 V N 2.379 122.291 119.914 -0.002 0.000 2.588 451 V HA 0.581 4.720 4.120 0.031 0.000 0.304 451 V C -0.277 175.771 176.094 -0.078 0.000 1.042 451 V CA -0.602 61.681 62.300 -0.029 0.000 0.877 451 V CB 1.918 33.706 31.823 -0.060 0.000 0.996 451 V HN 0.916 nan 8.190 nan 0.000 0.425 452 K N 1.195 121.569 120.400 -0.044 0.000 2.263 452 K HA 0.450 4.789 4.320 0.031 0.000 0.249 452 K C 0.758 177.345 176.600 -0.022 0.000 1.076 452 K CA -0.381 55.882 56.287 -0.039 0.000 0.884 452 K CB 1.647 34.142 32.500 -0.007 0.000 1.394 452 K HN 0.653 nan 8.250 nan 0.000 0.476 453 T N -2.325 112.226 114.554 -0.006 0.000 3.228 453 T HA -0.113 4.256 4.350 0.031 0.000 0.261 453 T C 1.737 176.478 174.700 0.069 0.000 1.171 453 T CA 0.408 62.520 62.100 0.020 0.000 1.056 453 T CB -0.883 67.997 68.868 0.021 0.000 0.938 453 T HN 0.613 nan 8.240 nan 0.000 0.539 454 c N 0.995 119.650 118.600 0.092 0.000 2.422 454 c HA 0.228 4.816 4.570 0.031 0.000 0.279 454 c C 1.197 175.468 174.090 0.302 0.000 1.305 454 c CA -0.517 55.928 56.329 0.194 0.000 1.757 454 c CB -1.301 41.314 42.510 0.176 0.000 1.962 454 c HN 0.638 nan 8.230 nan 0.000 0.499 455 I N 4.064 124.708 120.570 0.124 0.000 2.505 455 I HA 0.183 4.372 4.170 0.031 0.000 0.287 455 I C -1.692 174.419 176.117 -0.012 0.000 1.104 455 I CA -1.249 60.042 61.300 -0.014 0.000 1.387 455 I CB 0.455 38.437 38.000 -0.030 0.000 1.404 455 I HN 0.285 nan 8.210 nan 0.000 0.528 456 P HA 0.038 nan 4.420 nan 0.000 0.271 456 P C -0.299 176.980 177.300 -0.036 0.000 1.216 456 P CA -0.211 62.881 63.100 -0.014 0.000 0.776 456 P CB 0.829 32.519 31.700 -0.017 0.000 0.881 457 Q N 0.806 120.599 119.800 -0.012 0.000 2.364 457 Q HA -0.085 4.273 4.340 0.031 0.000 0.207 457 Q C 1.783 177.751 176.000 -0.053 0.000 0.970 457 Q CA 1.773 57.549 55.803 -0.045 0.000 0.888 457 Q CB -0.516 28.205 28.738 -0.029 0.000 0.951 457 Q HN 0.650 nan 8.270 nan 0.000 0.469 458 T N -1.297 113.240 114.554 -0.029 0.000 2.962 458 T HA -0.068 4.301 4.350 0.031 0.000 0.270 458 T C 0.782 175.464 174.700 -0.031 0.000 1.088 458 T CA -0.040 62.048 62.100 -0.020 0.000 1.127 458 T CB -0.123 68.746 68.868 0.002 0.000 0.883 458 T HN -0.037 nan 8.240 nan 0.000 0.493 459 L N 2.103 123.294 121.223 -0.053 0.000 2.573 459 L HA 0.092 4.451 4.340 0.031 0.000 0.290 459 L C 1.331 178.181 176.870 -0.032 0.000 1.247 459 L CA 0.792 55.598 54.840 -0.057 0.000 0.876 459 L CB 0.048 42.051 42.059 -0.093 0.000 1.123 459 L HN 0.303 nan 8.230 nan 0.000 0.505 460 E N 1.174 121.366 120.200 -0.014 0.000 2.306 460 E HA 0.175 4.544 4.350 0.031 0.000 0.201 460 E C -0.685 175.911 176.600 -0.007 0.000 0.874 460 E CA 0.128 56.532 56.400 0.007 0.000 0.972 460 E CB 0.763 30.487 29.700 0.039 0.000 0.957 460 E HN 0.352 nan 8.360 nan 0.000 0.492 461 V N 2.236 122.133 119.914 -0.028 0.000 2.540 461 V HA 0.394 4.533 4.120 0.031 0.000 0.302 461 V C -1.105 174.816 176.094 -0.287 0.000 1.035 461 V CA -0.845 61.392 62.300 -0.106 0.000 0.873 461 V CB 1.946 33.780 31.823 0.018 0.000 0.992 461 V HN 0.075 nan 8.190 nan 0.000 0.428 462 L N 3.826 124.896 121.223 -0.254 0.000 2.436 462 L HA 0.760 5.119 4.340 0.031 0.000 0.268 462 L C -1.324 175.412 176.870 -0.225 0.000 0.974 462 L CA 0.010 54.690 54.840 -0.266 0.000 0.826 462 L CB 2.119 44.097 42.059 -0.135 0.000 1.291 462 L HN 0.674 nan 8.230 nan 0.000 0.406 463 D N 3.928 124.180 120.400 -0.246 0.000 2.462 463 D HA 0.389 5.048 4.640 0.031 0.000 0.245 463 D C -0.363 175.845 176.300 -0.153 0.000 1.122 463 D CA -0.093 53.805 54.000 -0.170 0.000 0.864 463 D CB 1.732 42.404 40.800 -0.213 0.000 1.098 463 D HN 0.431 nan 8.370 nan 0.000 0.541 464 V N 1.783 121.631 119.914 -0.109 0.000 2.854 464 V HA 0.337 4.476 4.120 0.031 0.000 0.366 464 V C 0.593 176.642 176.094 -0.075 0.000 1.322 464 V CA -0.535 61.731 62.300 -0.057 0.000 1.243 464 V CB -0.461 31.383 31.823 0.037 0.000 1.337 464 V HN 0.396 nan 8.190 nan 0.000 0.585 465 S N -0.070 115.526 115.700 -0.173 0.000 2.624 465 S HA 0.405 4.894 4.470 0.031 0.000 0.263 465 S C 0.626 175.137 174.600 -0.148 0.000 1.287 465 S CA 0.424 58.507 58.200 -0.195 0.000 0.990 465 S CB 0.486 63.397 63.200 -0.482 0.000 0.950 465 S HN 1.199 nan 8.310 nan 0.000 0.561 466 N N 0.956 119.592 118.700 -0.107 0.000 2.705 466 N HA -0.176 4.583 4.740 0.031 0.000 0.255 466 N C -0.765 174.724 175.510 -0.035 0.000 1.008 466 N CA 0.878 53.888 53.050 -0.068 0.000 0.742 466 N CB -1.554 36.879 38.487 -0.090 0.000 0.906 466 N HN 0.688 nan 8.380 nan 0.000 0.541 467 N N -0.244 118.448 118.700 -0.013 0.000 3.455 467 N HA 0.340 5.099 4.740 0.031 0.000 0.358 467 N C -0.457 175.066 175.510 0.022 0.000 1.580 467 N CA -0.571 52.486 53.050 0.012 0.000 0.692 467 N CB 0.298 38.802 38.487 0.028 0.000 1.978 467 N HN 0.313 nan 8.380 nan 0.000 0.651 468 N N -0.104 118.618 118.700 0.036 0.000 2.416 468 N HA 0.261 5.019 4.740 0.031 0.000 0.267 468 N C -0.949 174.588 175.510 0.045 0.000 1.294 468 N CA -0.171 52.901 53.050 0.036 0.000 0.891 468 N CB 0.365 38.873 38.487 0.036 0.000 1.238 468 N HN 0.167 nan 8.380 nan 0.000 0.508 469 L N 0.765 122.022 121.223 0.057 0.000 2.439 469 L HA 0.117 4.476 4.340 0.031 0.000 0.269 469 L C 1.215 178.125 176.870 0.065 0.000 1.179 469 L CA 0.784 55.669 54.840 0.075 0.000 0.828 469 L CB 0.778 42.907 42.059 0.115 0.000 1.106 469 L HN 0.163 nan 8.230 nan 0.000 0.467 470 D N -0.717 119.723 120.400 0.066 0.000 2.454 470 D HA 0.116 4.775 4.640 0.031 0.000 0.219 470 D C 0.100 176.443 176.300 0.072 0.000 1.081 470 D CA 0.543 54.575 54.000 0.054 0.000 0.867 470 D CB 0.877 41.701 40.800 0.039 0.000 1.054 470 D HN 0.581 nan 8.370 nan 0.000 0.500 471 S N -0.778 114.981 115.700 0.098 0.000 2.587 471 S HA 0.573 5.062 4.470 0.031 0.000 0.269 471 S C -1.544 173.175 174.600 0.198 0.000 1.154 471 S CA -0.938 57.339 58.200 0.128 0.000 0.824 471 S CB 1.946 65.192 63.200 0.076 0.000 1.118 471 S HN -0.040 nan 8.310 nan 0.000 0.462 472 F N 1.127 121.121 119.950 0.073 0.000 2.539 472 F HA 0.676 5.225 4.527 0.036 0.000 0.328 472 F C 0.156 176.004 175.800 0.080 0.000 1.148 472 F CA -0.315 57.742 58.000 0.096 0.000 0.940 472 F CB 2.307 41.403 39.000 0.160 0.000 1.194 472 F HN 0.667 nan 8.300 nan 0.000 0.438 473 S N 5.166 120.663 115.700 -0.338 0.000 2.937 473 S HA 0.274 4.763 4.470 0.031 0.000 0.252 473 S C -0.597 173.840 174.600 -0.273 0.000 1.022 473 S CA -0.246 57.836 58.200 -0.197 0.000 1.079 473 S CB -0.021 63.109 63.200 -0.117 0.000 1.035 473 S HN 0.324 nan 8.310 nan 0.000 0.594 474 L N 2.178 123.066 121.223 -0.558 0.000 2.331 474 L HA 0.432 4.791 4.340 0.031 0.000 0.278 474 L C -0.369 176.478 176.870 -0.037 0.000 1.106 474 L CA -0.196 54.461 54.840 -0.305 0.000 0.824 474 L CB 0.043 41.847 42.059 -0.425 0.000 1.142 474 L HN 0.353 nan 8.230 nan 0.000 0.443 475 F N 5.538 125.412 119.950 -0.126 0.000 2.413 475 F HA 0.427 4.974 4.527 0.034 0.000 0.359 475 F C -0.431 175.356 175.800 -0.021 0.000 1.122 475 F CA -0.483 57.453 58.000 -0.107 0.000 1.160 475 F CB 0.234 39.178 39.000 -0.092 0.000 1.146 475 F HN 0.242 nan 8.300 nan 0.000 0.514 476 L N 9.832 130.803 121.223 -0.421 0.000 2.435 476 L HA 0.288 4.647 4.340 0.031 0.000 0.253 476 L C -1.489 175.085 176.870 -0.494 0.000 1.087 476 L CA -1.632 53.004 54.840 -0.339 0.000 0.950 476 L CB 0.882 42.964 42.059 0.039 0.000 1.304 476 L HN 0.500 nan 8.230 nan 0.000 0.453 477 P HA -0.218 nan 4.420 nan 0.000 0.218 477 P C 0.831 178.019 177.300 -0.187 0.000 1.146 477 P CA 1.492 64.242 63.100 -0.582 0.000 0.820 477 P CB 0.215 31.623 31.700 -0.487 0.000 0.778 478 R N -1.555 118.864 120.500 -0.135 0.000 2.397 478 R HA 0.221 4.580 4.340 0.031 0.000 0.241 478 R C 0.585 176.878 176.300 -0.011 0.000 0.914 478 R CA -0.732 55.341 56.100 -0.045 0.000 1.071 478 R CB -0.215 30.065 30.300 -0.033 0.000 1.116 478 R HN 0.110 nan 8.270 nan 0.000 0.524 479 L N 2.000 123.225 121.223 0.003 0.000 2.584 479 L HA -0.088 4.270 4.340 0.031 0.000 0.272 479 L C 0.919 177.808 176.870 0.032 0.000 1.195 479 L CA 1.085 55.947 54.840 0.037 0.000 0.920 479 L CB 0.653 42.788 42.059 0.127 0.000 1.173 479 L HN 0.126 nan 8.230 nan 0.000 0.489 480 Q N 2.415 122.218 119.800 0.006 0.000 2.402 480 Q HA 0.218 4.577 4.340 0.031 0.000 0.231 480 Q C -0.182 175.801 176.000 -0.027 0.000 0.888 480 Q CA 0.305 56.112 55.803 0.005 0.000 0.938 480 Q CB 0.727 29.477 28.738 0.020 0.000 1.086 480 Q HN 0.690 nan 8.270 nan 0.000 0.543 481 E N 0.674 120.840 120.200 -0.057 0.000 2.274 481 E HA 0.363 4.732 4.350 0.031 0.000 0.269 481 E C -2.030 174.470 176.600 -0.167 0.000 0.891 481 E CA -0.489 55.851 56.400 -0.099 0.000 0.784 481 E CB 1.591 31.260 29.700 -0.051 0.000 1.225 481 E HN -0.046 nan 8.360 nan 0.000 0.412 482 L N 5.117 126.189 121.223 -0.252 0.000 2.341 482 L HA 0.471 4.830 4.340 0.031 0.000 0.278 482 L C -1.923 174.799 176.870 -0.246 0.000 1.005 482 L CA -0.498 54.154 54.840 -0.312 0.000 0.818 482 L CB 1.350 43.074 42.059 -0.560 0.000 1.259 482 L HN 0.626 nan 8.230 nan 0.000 0.418 483 Y N 6.167 126.288 120.300 -0.298 0.000 2.345 483 Y HA 0.487 5.041 4.550 0.006 0.000 0.331 483 Y C 0.301 176.052 175.900 -0.247 0.000 0.959 483 Y CA -0.521 57.419 58.100 -0.268 0.000 1.204 483 Y CB 1.526 39.840 38.460 -0.245 0.000 1.135 483 Y HN 0.677 nan 8.280 nan 0.000 0.477 484 I N 3.420 124.019 120.570 0.048 0.000 3.813 484 I HA 0.201 4.390 4.170 0.031 0.000 0.323 484 I C -0.336 175.792 176.117 0.018 0.000 1.536 484 I CA 0.179 61.458 61.300 -0.034 0.000 1.083 484 I CB 0.135 38.045 38.000 -0.149 0.000 1.265 484 I HN 0.383 nan 8.210 nan 0.000 0.507 485 S N 1.414 117.177 115.700 0.105 0.000 2.579 485 S HA 0.295 4.784 4.470 0.031 0.000 0.275 485 S C 0.419 175.028 174.600 0.015 0.000 1.345 485 S CA -0.082 58.160 58.200 0.070 0.000 1.031 485 S CB 0.491 63.788 63.200 0.161 0.000 0.892 485 S HN 0.456 nan 8.310 nan 0.000 0.529 486 R N 0.879 121.387 120.500 0.014 0.000 3.261 486 R HA -0.169 4.190 4.340 0.031 0.000 0.257 486 R C -0.813 175.486 176.300 -0.002 0.000 1.014 486 R CA 0.303 56.405 56.100 0.004 0.000 0.681 486 R CB -2.237 28.059 30.300 -0.007 0.000 1.155 486 R HN 0.659 nan 8.270 nan 0.000 0.424 487 N N -0.391 118.313 118.700 0.005 0.000 3.455 487 N HA 0.402 5.161 4.740 0.031 0.000 0.358 487 N C -0.287 175.229 175.510 0.010 0.000 1.580 487 N CA -0.855 52.203 53.050 0.013 0.000 0.692 487 N CB 0.546 39.050 38.487 0.027 0.000 1.978 487 N HN -0.049 nan 8.380 nan 0.000 0.651 488 K N 0.212 120.623 120.400 0.019 0.000 2.646 488 K HA 0.415 4.754 4.320 0.031 0.000 0.206 488 K C -1.210 175.399 176.600 0.015 0.000 1.069 488 K CA -0.224 56.069 56.287 0.010 0.000 1.067 488 K CB 0.120 32.627 32.500 0.012 0.000 0.807 488 K HN 0.229 nan 8.250 nan 0.000 0.482 489 L N 1.410 122.647 121.223 0.024 0.000 2.534 489 L HA 0.039 4.398 4.340 0.031 0.000 0.271 489 L C 1.250 178.126 176.870 0.010 0.000 1.178 489 L CA 0.800 55.662 54.840 0.037 0.000 0.907 489 L CB 0.426 42.521 42.059 0.061 0.000 1.164 489 L HN 0.136 nan 8.230 nan 0.000 0.482 490 K N 0.875 121.283 120.400 0.013 0.000 2.211 490 K HA 0.120 4.458 4.320 0.031 0.000 0.201 490 K C 0.201 176.808 176.600 0.011 0.000 1.052 490 K CA 0.549 56.833 56.287 -0.004 0.000 0.973 490 K CB 0.295 32.795 32.500 0.001 0.000 0.766 490 K HN 0.603 nan 8.250 nan 0.000 0.466 491 T N 1.339 115.915 114.554 0.036 0.000 2.855 491 T HA 0.286 4.655 4.350 0.031 0.000 0.281 491 T C -0.762 173.986 174.700 0.080 0.000 1.007 491 T CA -0.707 61.425 62.100 0.052 0.000 1.009 491 T CB 1.804 70.700 68.868 0.045 0.000 0.983 491 T HN -0.111 nan 8.240 nan 0.000 0.455 492 L N 4.324 125.602 121.223 0.093 0.000 2.439 492 L HA 0.384 4.743 4.340 0.031 0.000 0.269 492 L C -2.155 174.800 176.870 0.141 0.000 1.179 492 L CA -1.557 53.358 54.840 0.125 0.000 0.828 492 L CB -0.052 42.080 42.059 0.120 0.000 1.106 492 L HN 0.415 nan 8.230 nan 0.000 0.467 493 P HA 0.033 nan 4.420 nan 0.000 0.268 493 P C -1.051 176.395 177.300 0.243 0.000 1.205 493 P CA -0.293 62.987 63.100 0.300 0.000 0.771 493 P CB 0.321 32.336 31.700 0.525 0.000 0.858 494 D N 2.095 122.579 120.400 0.139 0.000 2.487 494 D HA -0.042 4.617 4.640 0.031 0.000 0.243 494 D C 1.185 177.529 176.300 0.073 0.000 1.154 494 D CA 0.287 54.321 54.000 0.056 0.000 0.876 494 D CB 0.931 41.727 40.800 -0.006 0.000 1.161 494 D HN 0.336 nan 8.370 nan 0.000 0.478 495 A N 3.205 126.078 122.820 0.089 0.000 2.024 495 A HA -0.191 4.148 4.320 0.031 0.000 0.220 495 A C 2.107 179.752 177.584 0.101 0.000 1.164 495 A CA 1.788 53.916 52.037 0.152 0.000 0.643 495 A CB -0.370 18.683 19.000 0.089 0.000 0.806 495 A HN 0.631 nan 8.150 nan 0.000 0.451 496 S N -0.401 115.311 115.700 0.019 0.000 2.555 496 S HA 0.055 4.544 4.470 0.031 0.000 0.230 496 S C 1.565 176.173 174.600 0.013 0.000 0.978 496 S CA 0.909 59.121 58.200 0.019 0.000 0.934 496 S CB -0.561 62.625 63.200 -0.025 0.000 0.766 496 S HN 0.485 nan 8.310 nan 0.000 0.533 497 L N -0.441 120.663 121.223 -0.199 0.000 2.291 497 L HA 0.210 4.569 4.340 0.031 0.000 0.214 497 L C -0.167 176.335 176.870 -0.613 0.000 1.120 497 L CA 0.618 55.197 54.840 -0.437 0.000 0.799 497 L CB -0.217 41.283 42.059 -0.932 0.000 0.925 497 L HN 0.359 nan 8.230 nan 0.000 0.446 498 F N -1.444 118.605 119.950 0.164 0.000 2.769 498 F HA 0.336 4.885 4.527 0.037 0.000 0.358 498 F C -1.599 174.250 175.800 0.082 0.000 1.285 498 F CA -2.043 56.007 58.000 0.082 0.000 1.199 498 F CB -0.099 38.934 39.000 0.055 0.000 1.558 498 F HN -0.223 nan 8.300 nan 0.000 0.583 499 P HA -0.197 nan 4.420 nan 0.000 0.216 499 P C 0.957 178.339 177.300 0.138 0.000 1.150 499 P CA 1.679 64.877 63.100 0.164 0.000 0.843 499 P CB 0.288 32.080 31.700 0.152 0.000 0.787 500 V N -3.704 116.284 119.914 0.123 0.000 2.940 500 V HA 0.284 4.422 4.120 0.031 0.000 0.366 500 V C 0.473 176.619 176.094 0.087 0.000 1.353 500 V CA -0.844 61.512 62.300 0.093 0.000 1.232 500 V CB -0.213 31.649 31.823 0.065 0.000 1.278 500 V HN -0.101 nan 8.190 nan 0.000 0.546 501 L N 1.778 123.070 121.223 0.114 0.000 2.513 501 L HA 0.284 4.642 4.340 0.031 0.000 0.272 501 L C 0.840 177.734 176.870 0.040 0.000 1.187 501 L CA 0.886 55.761 54.840 0.059 0.000 0.895 501 L CB 1.172 43.257 42.059 0.042 0.000 1.147 501 L HN 0.437 nan 8.230 nan 0.000 0.483 502 L N 5.527 126.760 121.223 0.017 0.000 2.425 502 L HA 0.196 4.555 4.340 0.031 0.000 0.215 502 L C 0.090 176.975 176.870 0.024 0.000 1.065 502 L CA 0.214 55.070 54.840 0.027 0.000 0.842 502 L CB 0.230 42.305 42.059 0.028 0.000 1.033 502 L HN 0.359 nan 8.230 nan 0.000 0.474 503 V N 0.846 120.759 119.914 -0.001 0.000 2.686 503 V HA 0.415 4.554 4.120 0.031 0.000 0.306 503 V C -0.678 175.379 176.094 -0.061 0.000 1.065 503 V CA -0.333 61.981 62.300 0.023 0.000 0.894 503 V CB 2.542 34.394 31.823 0.048 0.000 1.004 503 V HN 0.119 nan 8.190 nan 0.000 0.424 504 M N 4.845 124.435 119.600 -0.018 0.000 2.263 504 M HA 0.570 5.069 4.480 0.031 0.000 0.295 504 M C -1.478 174.805 176.300 -0.029 0.000 1.028 504 M CA -0.564 54.668 55.300 -0.112 0.000 0.921 504 M CB 1.842 34.364 32.600 -0.129 0.000 1.601 504 M HN 0.572 nan 8.290 nan 0.000 0.440 505 K N 5.792 126.077 120.400 -0.192 0.000 2.425 505 K HA 0.488 4.827 4.320 0.031 0.000 0.259 505 K C -0.620 175.919 176.600 -0.103 0.000 0.978 505 K CA -0.264 55.882 56.287 -0.235 0.000 0.883 505 K CB 2.029 34.019 32.500 -0.849 0.000 1.110 505 K HN 0.765 nan 8.250 nan 0.000 0.436 506 I N 2.280 122.842 120.570 -0.013 0.000 3.114 506 I HA 0.180 4.368 4.170 0.031 0.000 0.326 506 I C -0.458 175.673 176.117 0.022 0.000 1.510 506 I CA -0.142 61.166 61.300 0.013 0.000 0.918 506 I CB 0.467 38.495 38.000 0.047 0.000 1.561 506 I HN 0.649 nan 8.210 nan 0.000 0.565 507 A N 0.339 123.136 122.820 -0.037 0.000 2.346 507 A HA 0.525 4.864 4.320 0.031 0.000 0.252 507 A C 0.887 178.464 177.584 -0.013 0.000 1.089 507 A CA 0.472 52.447 52.037 -0.104 0.000 0.797 507 A CB 0.138 18.902 19.000 -0.393 0.000 1.047 507 A HN 0.666 nan 8.150 nan 0.000 0.494 508 S N 1.036 116.751 115.700 0.025 0.000 3.386 508 S HA -0.119 4.370 4.470 0.031 0.000 0.403 508 S C 0.186 174.780 174.600 -0.009 0.000 0.893 508 S CA 0.909 59.127 58.200 0.030 0.000 1.336 508 S CB -1.192 62.046 63.200 0.063 0.000 0.925 508 S HN 0.759 nan 8.310 nan 0.000 0.589 509 N N 0.679 119.348 118.700 -0.051 0.000 2.381 509 N HA 0.095 4.854 4.740 0.031 0.000 0.257 509 N C 0.432 175.887 175.510 -0.093 0.000 1.409 509 N CA -0.029 52.988 53.050 -0.055 0.000 0.836 509 N CB 0.497 38.964 38.487 -0.033 0.000 1.384 509 N HN 0.610 nan 8.380 nan 0.000 0.490 510 Q N -0.100 119.626 119.800 -0.123 0.000 2.284 510 Q HA -0.197 4.162 4.340 0.031 0.000 0.205 510 Q C -0.309 175.572 176.000 -0.197 0.000 0.682 510 Q CA 0.897 56.620 55.803 -0.133 0.000 1.401 510 Q CB -1.169 27.527 28.738 -0.071 0.000 1.643 510 Q HN 0.452 nan 8.270 nan 0.000 0.717 511 L N 0.948 121.990 121.223 -0.301 0.000 2.462 511 L HA -0.017 4.342 4.340 0.031 0.000 0.272 511 L C 1.417 177.952 176.870 -0.559 0.000 1.166 511 L CA 0.680 55.296 54.840 -0.374 0.000 0.880 511 L CB 0.325 42.133 42.059 -0.418 0.000 1.142 511 L HN 0.080 nan 8.230 nan 0.000 0.473 512 K N 1.135 121.402 120.400 -0.222 0.000 2.365 512 K HA 0.131 4.470 4.320 0.031 0.000 0.195 512 K C 0.262 177.001 176.600 0.232 0.000 1.079 512 K CA 0.255 56.502 56.287 -0.066 0.000 0.979 512 K CB 0.683 33.180 32.500 -0.005 0.000 0.929 512 K HN 0.770 nan 8.250 nan 0.000 0.523 513 S N -0.515 115.355 115.700 0.284 0.000 2.643 513 S HA 0.543 5.032 4.470 0.031 0.000 0.270 513 S C -0.990 173.813 174.600 0.338 0.000 1.166 513 S CA -0.992 57.443 58.200 0.390 0.000 0.815 513 S CB 1.566 64.889 63.200 0.205 0.000 1.139 513 S HN -0.039 nan 8.310 nan 0.000 0.472 514 V N -2.073 117.975 119.914 0.223 0.000 2.962 514 V HA 0.880 5.019 4.120 0.031 0.000 0.313 514 V C -3.235 172.842 176.094 -0.028 0.000 1.099 514 V CA -2.394 59.943 62.300 0.062 0.000 0.971 514 V CB 0.799 32.579 31.823 -0.071 0.000 1.028 514 V HN 0.822 nan 8.190 nan 0.000 0.430 515 P HA 0.257 nan 4.420 nan 0.000 0.271 515 P C -0.708 176.397 177.300 -0.325 0.000 1.216 515 P CA -0.019 62.983 63.100 -0.162 0.000 0.776 515 P CB 0.224 31.831 31.700 -0.156 0.000 0.881 516 D N 2.127 122.330 120.400 -0.328 0.000 2.531 516 D HA 0.122 4.781 4.640 0.031 0.000 0.239 516 D C 1.486 177.236 176.300 -0.916 0.000 1.144 516 D CA 1.598 55.223 54.000 -0.624 0.000 0.869 516 D CB 0.188 40.804 40.800 -0.306 0.000 1.160 516 D HN 0.742 nan 8.370 nan 0.000 0.484 517 G N 2.641 110.264 108.800 -1.962 0.000 2.159 517 G HA2 -0.347 3.632 3.960 0.031 0.000 0.256 517 G HA3 -0.347 3.632 3.960 0.031 0.000 0.256 517 G C 0.995 175.582 174.900 -0.521 0.000 0.977 517 G CA 0.277 44.757 45.100 -1.033 0.000 0.652 517 G HN 0.601 nan 8.290 nan 0.000 0.531 518 I N -0.439 119.767 120.570 -0.607 0.000 2.286 518 I HA -0.013 4.176 4.170 0.031 0.000 0.248 518 I C 2.400 178.325 176.117 -0.319 0.000 1.115 518 I CA 1.681 62.725 61.300 -0.427 0.000 1.392 518 I CB -0.115 37.558 38.000 -0.544 0.000 1.065 518 I HN 0.324 nan 8.210 nan 0.000 0.418 519 F N 0.331 120.177 119.950 -0.173 0.000 2.407 519 F HA -0.146 4.402 4.527 0.035 0.000 0.299 519 F C 1.966 177.736 175.800 -0.051 0.000 1.097 519 F CA 0.350 58.108 58.000 -0.403 0.000 1.422 519 F CB -0.216 37.861 39.000 -1.538 0.000 1.067 519 F HN 0.118 nan 8.300 nan 0.000 0.539 520 D N 0.146 120.691 120.400 0.242 0.000 2.347 520 D HA -0.036 4.623 4.640 0.031 0.000 0.215 520 D C 1.895 178.300 176.300 0.174 0.000 0.976 520 D CA 0.531 54.710 54.000 0.299 0.000 0.884 520 D CB -0.128 40.851 40.800 0.297 0.000 0.915 520 D HN 0.376 nan 8.370 nan 0.000 0.526 521 R N -0.073 120.492 120.500 0.108 0.000 2.254 521 R HA 0.076 4.434 4.340 0.031 0.000 0.195 521 R C 0.226 176.599 176.300 0.120 0.000 0.957 521 R CA -0.148 56.001 56.100 0.082 0.000 1.024 521 R CB 0.408 30.723 30.300 0.025 0.000 0.952 521 R HN -0.050 nan 8.270 nan 0.000 0.484 522 L N 2.430 123.748 121.223 0.159 0.000 2.399 522 L HA 0.058 4.417 4.340 0.031 0.000 0.257 522 L C 1.130 178.103 176.870 0.171 0.000 1.236 522 L CA 0.626 55.573 54.840 0.179 0.000 1.144 522 L CB 0.256 42.439 42.059 0.206 0.000 1.379 522 L HN 0.120 nan 8.230 nan 0.000 0.414 523 T N -3.907 110.733 114.554 0.142 0.000 3.077 523 T HA -0.076 4.292 4.350 0.031 0.000 0.269 523 T C 1.335 176.099 174.700 0.106 0.000 1.146 523 T CA 1.140 63.314 62.100 0.124 0.000 1.091 523 T CB -0.005 68.923 68.868 0.100 0.000 0.892 523 T HN 0.367 nan 8.240 nan 0.000 0.533 524 S N -0.014 115.749 115.700 0.104 0.000 2.666 524 S HA 0.377 4.866 4.470 0.031 0.000 0.239 524 S C 0.159 174.807 174.600 0.079 0.000 1.031 524 S CA -0.700 57.549 58.200 0.081 0.000 1.015 524 S CB 0.100 63.343 63.200 0.071 0.000 0.981 524 S HN 0.411 nan 8.310 nan 0.000 0.547 525 L N 2.594 123.879 121.223 0.103 0.000 2.525 525 L HA 0.069 4.428 4.340 0.031 0.000 0.278 525 L C 0.831 177.745 176.870 0.073 0.000 1.218 525 L CA 1.290 56.188 54.840 0.097 0.000 0.878 525 L CB 0.524 42.670 42.059 0.146 0.000 1.127 525 L HN 0.160 nan 8.230 nan 0.000 0.492 526 Q N 2.786 122.611 119.800 0.041 0.000 2.534 526 Q HA 0.289 4.648 4.340 0.031 0.000 0.252 526 Q C -0.411 175.568 176.000 -0.035 0.000 0.850 526 Q CA 0.212 56.018 55.803 0.005 0.000 0.974 526 Q CB 0.754 29.495 28.738 0.006 0.000 1.205 526 Q HN 0.554 nan 8.270 nan 0.000 0.593 527 K N 0.750 121.136 120.400 -0.023 0.000 2.482 527 K HA 0.565 4.904 4.320 0.031 0.000 0.251 527 K C -1.636 174.934 176.600 -0.051 0.000 0.936 527 K CA -0.363 55.853 56.287 -0.118 0.000 0.791 527 K CB 2.882 35.311 32.500 -0.118 0.000 1.213 527 K HN -0.021 nan 8.250 nan 0.000 0.428 528 I N 1.764 122.231 120.570 -0.172 0.000 2.569 528 I HA 0.427 4.616 4.170 0.031 0.000 0.290 528 I C -1.372 174.673 176.117 -0.120 0.000 1.088 528 I CA -0.590 60.683 61.300 -0.045 0.000 1.047 528 I CB 1.413 39.337 38.000 -0.127 0.000 1.237 528 I HN 0.638 nan 8.210 nan 0.000 0.421 529 W N 8.355 129.570 121.300 -0.142 0.000 2.329 529 W HA 0.394 5.070 4.660 0.027 0.000 0.312 529 W C -0.324 176.108 176.519 -0.145 0.000 1.054 529 W CA -0.468 56.785 57.345 -0.154 0.000 1.245 529 W CB 1.706 31.033 29.460 -0.221 0.000 1.255 529 W HN 0.490 nan 8.180 nan 0.000 0.436 530 L N 2.735 124.015 121.223 0.096 0.000 2.966 530 L HA 0.027 4.386 4.340 0.031 0.000 0.262 530 L C 0.834 177.899 176.870 0.325 0.000 1.165 530 L CA -0.367 54.611 54.840 0.229 0.000 0.978 530 L CB -0.358 41.843 42.059 0.237 0.000 1.337 530 L HN 0.382 nan 8.230 nan 0.000 0.563 531 H N -1.522 117.727 119.070 0.298 0.000 2.822 531 H HA 0.150 4.721 4.556 0.026 0.000 0.373 531 H C 0.416 175.868 175.328 0.206 0.000 1.223 531 H CA -0.016 56.192 56.048 0.266 0.000 1.436 531 H CB -0.179 29.696 29.762 0.189 0.000 1.439 531 H HN 0.061 nan 8.280 nan 0.000 0.618 532 T N 0.344 115.137 114.554 0.399 0.000 3.967 532 T HA -0.228 4.141 4.350 0.031 0.000 0.366 532 T C -0.842 173.884 174.700 0.044 0.000 0.759 532 T CA 1.026 63.259 62.100 0.222 0.000 1.971 532 T CB -2.405 66.633 68.868 0.284 0.000 1.806 532 T HN 0.963 nan 8.240 nan 0.000 0.825 533 N N 1.245 119.896 118.700 -0.083 0.000 2.225 533 N HA 0.465 5.224 4.740 0.031 0.000 0.298 533 N C -2.754 172.429 175.510 -0.545 0.000 1.076 533 N CA -1.954 50.820 53.050 -0.459 0.000 0.792 533 N CB 2.132 40.053 38.487 -0.944 0.000 1.498 533 N HN -0.058 nan 8.380 nan 0.000 0.474 534 P HA 0.046 nan 4.420 nan 0.000 0.230 534 P C -0.962 176.208 177.300 -0.216 0.000 1.791 534 P CA -0.188 62.777 63.100 -0.226 0.000 1.020 534 P CB -0.555 31.062 31.700 -0.137 0.000 1.977 535 W N 1.572 122.907 121.300 0.058 0.000 2.397 535 W HA 0.024 4.701 4.660 0.028 0.000 0.327 535 W C 1.110 177.659 176.519 0.050 0.000 1.421 535 W CA -0.357 57.023 57.345 0.059 0.000 1.288 535 W CB 0.263 29.764 29.460 0.068 0.000 1.312 535 W HN 0.259 nan 8.180 nan 0.000 0.559 536 D N 4.144 124.716 120.400 0.287 0.000 2.455 536 D HA 0.035 4.694 4.640 0.031 0.000 0.234 536 D C 0.164 176.572 176.300 0.179 0.000 1.224 536 D CA -0.061 54.046 54.000 0.178 0.000 0.999 536 D CB 0.301 41.182 40.800 0.135 0.000 1.072 536 D HN 0.373 nan 8.370 nan 0.000 0.514 537 c N 2.746 121.441 118.600 0.159 0.000 2.428 537 c HA 0.040 4.629 4.570 0.031 0.000 0.347 537 c C 1.359 175.499 174.090 0.084 0.000 1.345 537 c CA -0.243 56.158 56.329 0.120 0.000 1.586 537 c CB -2.205 40.369 42.510 0.107 0.000 1.638 537 c HN 0.514 nan 8.230 nan 0.000 0.597 538 S N -0.863 114.887 115.700 0.082 0.000 2.537 538 S HA 0.010 4.499 4.470 0.031 0.000 0.286 538 S C 1.373 176.008 174.600 0.058 0.000 1.299 538 S CA -0.370 57.867 58.200 0.062 0.000 1.067 538 S CB 0.337 63.572 63.200 0.059 0.000 0.864 538 S HN 0.649 nan 8.310 nan 0.000 0.494 539 c N 6.932 125.559 118.600 0.046 0.000 2.376 539 c HA -0.062 4.527 4.570 0.031 0.000 0.275 539 c C 0.027 174.143 174.090 0.044 0.000 1.200 539 c CA 1.370 57.724 56.329 0.042 0.000 1.756 539 c CB -1.566 40.964 42.510 0.033 0.000 2.050 539 c HN 0.867 nan 8.230 nan 0.000 0.460 540 P HA -0.193 nan 4.420 nan 0.000 0.213 540 P C 1.581 178.914 177.300 0.055 0.000 1.170 540 P CA 1.669 64.795 63.100 0.043 0.000 0.902 540 P CB -0.313 31.409 31.700 0.036 0.000 0.789 541 R N -0.491 120.045 120.500 0.060 0.000 2.083 541 R HA -0.127 4.232 4.340 0.031 0.000 0.237 541 R C 2.237 178.592 176.300 0.092 0.000 1.137 541 R CA 1.314 57.458 56.100 0.074 0.000 0.951 541 R CB -0.846 29.501 30.300 0.079 0.000 0.851 541 R HN 0.083 nan 8.270 nan 0.000 0.434 542 I N 1.613 122.234 120.570 0.085 0.000 3.444 542 I HA -0.118 4.071 4.170 0.031 0.000 0.287 542 I C 1.091 177.242 176.117 0.057 0.000 1.302 542 I CA 0.765 62.110 61.300 0.075 0.000 1.368 542 I CB -0.260 37.779 38.000 0.065 0.000 1.048 542 I HN 0.160 nan 8.210 nan 0.000 0.487 543 D N -0.128 120.317 120.400 0.075 0.000 2.092 543 D HA -0.321 4.338 4.640 0.031 0.000 0.193 543 D C 2.055 178.412 176.300 0.095 0.000 0.994 543 D CA 1.682 55.726 54.000 0.074 0.000 0.828 543 D CB -0.214 40.634 40.800 0.081 0.000 0.963 543 D HN 0.451 nan 8.370 nan 0.000 0.450 544 Y N 0.582 120.900 120.300 0.030 0.000 2.089 544 Y HA -0.155 4.414 4.550 0.031 0.000 0.282 544 Y C 2.114 178.066 175.900 0.086 0.000 1.139 544 Y CA 1.498 59.626 58.100 0.047 0.000 1.123 544 Y CB -0.925 37.538 38.460 0.006 0.000 0.980 544 Y HN 0.078 nan 8.280 nan 0.000 0.493 545 L N -0.080 121.061 121.223 -0.137 0.000 2.043 545 L HA -0.217 4.141 4.340 0.031 0.000 0.212 545 L C 2.691 179.475 176.870 -0.144 0.000 1.075 545 L CA 2.392 57.115 54.840 -0.194 0.000 0.752 545 L CB -1.536 40.431 42.059 -0.153 0.000 0.891 545 L HN 0.435 nan 8.230 nan 0.000 0.432 546 S N -0.836 114.804 115.700 -0.101 0.000 2.356 546 S HA -0.204 4.285 4.470 0.031 0.000 0.223 546 S C 2.171 176.728 174.600 -0.073 0.000 1.032 546 S CA 1.403 59.557 58.200 -0.077 0.000 1.005 546 S CB -0.208 62.966 63.200 -0.043 0.000 0.867 546 S HN 0.562 nan 8.310 nan 0.000 0.449 547 R N -0.993 119.466 120.500 -0.068 0.000 2.096 547 R HA -0.084 4.274 4.340 0.031 0.000 0.235 547 R C 2.096 178.349 176.300 -0.078 0.000 1.127 547 R CA 1.648 57.713 56.100 -0.058 0.000 0.968 547 R CB -0.494 29.799 30.300 -0.013 0.000 0.861 547 R HN 0.622 nan 8.270 nan 0.000 0.440 548 W N 1.308 122.414 121.300 -0.324 0.000 2.363 548 W HA -0.116 4.561 4.660 0.027 0.000 0.296 548 W C 1.427 177.821 176.519 -0.207 0.000 1.212 548 W CA 1.244 58.416 57.345 -0.288 0.000 1.260 548 W CB -0.107 29.094 29.460 -0.432 0.000 1.131 548 W HN -0.034 nan 8.180 nan 0.000 0.530 549 L N 0.419 121.613 121.223 -0.048 0.000 2.201 549 L HA -0.178 4.181 4.340 0.031 0.000 0.212 549 L C 1.725 178.431 176.870 -0.274 0.000 1.105 549 L CA 1.485 56.211 54.840 -0.190 0.000 0.775 549 L CB -0.844 41.167 42.059 -0.080 0.000 0.913 549 L HN -0.002 nan 8.230 nan 0.000 0.440 550 N N -0.380 118.194 118.700 -0.210 0.000 2.409 550 N HA -0.128 4.631 4.740 0.031 0.000 0.179 550 N C 1.603 176.977 175.510 -0.227 0.000 1.032 550 N CA 0.557 53.497 53.050 -0.183 0.000 0.898 550 N CB 0.119 38.533 38.487 -0.121 0.000 0.971 550 N HN 0.184 nan 8.380 nan 0.000 0.441 551 K N -0.029 120.187 120.400 -0.307 0.000 2.374 551 K HA 0.199 4.537 4.320 0.031 0.000 0.196 551 K C -0.152 176.160 176.600 -0.479 0.000 1.023 551 K CA 0.378 56.472 56.287 -0.322 0.000 1.103 551 K CB 0.434 32.775 32.500 -0.264 0.000 0.848 551 K HN 0.106 nan 8.250 nan 0.000 0.528 552 N N 0.556 118.860 118.700 -0.661 0.000 2.547 552 N HA -0.024 4.735 4.740 0.031 0.000 0.285 552 N C 0.273 175.432 175.510 -0.585 0.000 1.600 552 N CA 0.147 52.729 53.050 -0.780 0.000 0.872 552 N CB 1.438 38.975 38.487 -1.584 0.000 1.412 552 N HN 0.095 nan 8.380 nan 0.000 0.489 553 S N 0.570 116.037 115.700 -0.388 0.000 2.440 553 S HA -0.235 4.254 4.470 0.031 0.000 0.238 553 S C 1.907 176.357 174.600 -0.251 0.000 1.010 553 S CA 0.934 58.965 58.200 -0.282 0.000 0.972 553 S CB -0.106 62.971 63.200 -0.205 0.000 0.774 553 S HN 0.387 nan 8.310 nan 0.000 0.501 554 Q N 1.692 121.344 119.800 -0.247 0.000 2.369 554 Q HA 0.043 4.402 4.340 0.031 0.000 0.206 554 Q C 1.409 177.279 176.000 -0.218 0.000 0.963 554 Q CA 1.122 56.804 55.803 -0.202 0.000 0.894 554 Q CB -0.393 28.245 28.738 -0.166 0.000 0.965 554 Q HN 0.642 nan 8.270 nan 0.000 0.475 555 K N 0.685 120.928 120.400 -0.262 0.000 2.242 555 K HA 0.089 4.428 4.320 0.031 0.000 0.200 555 K C 0.568 177.005 176.600 -0.271 0.000 1.050 555 K CA -0.005 56.144 56.287 -0.229 0.000 0.981 555 K CB 0.411 32.807 32.500 -0.174 0.000 0.795 555 K HN 0.250 nan 8.250 nan 0.000 0.477 556 E N 2.144 122.180 120.200 -0.274 0.000 2.344 556 E HA -0.027 4.342 4.350 0.031 0.000 0.270 556 E C -0.670 175.707 176.600 -0.372 0.000 1.021 556 E CA -0.120 56.114 56.400 -0.277 0.000 0.887 556 E CB 0.579 30.168 29.700 -0.186 0.000 0.997 556 E HN -0.019 nan 8.360 nan 0.000 0.429 557 Q N 2.575 122.023 119.800 -0.587 0.000 2.347 557 Q HA 0.439 4.798 4.340 0.031 0.000 0.262 557 Q C 0.238 176.036 176.000 -0.337 0.000 0.980 557 Q CA -0.081 55.299 55.803 -0.705 0.000 0.867 557 Q CB 1.513 29.206 28.738 -1.742 0.000 1.242 557 Q HN 0.870 nan 8.270 nan 0.000 0.453 558 G N 1.929 110.663 108.800 -0.110 0.000 2.698 558 G HA2 -0.159 3.820 3.960 0.031 0.000 0.225 558 G HA3 -0.159 3.820 3.960 0.031 0.000 0.225 558 G C -0.888 174.039 174.900 0.046 0.000 1.345 558 G CA -0.688 44.450 45.100 0.064 0.000 0.871 558 G HN 0.488 nan 8.290 nan 0.000 0.540 559 S N 0.088 115.848 115.700 0.101 0.000 2.756 559 S HA 0.713 5.202 4.470 0.031 0.000 0.303 559 S C 0.442 175.137 174.600 0.158 0.000 1.135 559 S CA 0.389 58.636 58.200 0.079 0.000 1.066 559 S CB 1.299 64.518 63.200 0.031 0.000 1.008 559 S HN 1.965 nan 8.310 nan 0.000 0.482 560 A N 4.637 127.542 122.820 0.142 0.000 2.522 560 A HA 0.432 4.771 4.320 0.031 0.000 0.256 560 A C 0.185 177.882 177.584 0.189 0.000 1.086 560 A CA 0.154 52.327 52.037 0.226 0.000 0.763 560 A CB 0.138 19.122 19.000 -0.028 0.000 1.024 560 A HN 0.538 nan 8.150 nan 0.000 0.502 561 K N 1.615 122.204 120.400 0.315 0.000 2.203 561 K HA 0.369 4.708 4.320 0.031 0.000 0.251 561 K C -0.633 176.147 176.600 0.301 0.000 0.944 561 K CA -0.516 55.906 56.287 0.226 0.000 0.829 561 K CB 1.607 34.205 32.500 0.162 0.000 1.125 561 K HN 0.672 nan 8.250 nan 0.000 0.430 562 c N 1.530 120.249 118.600 0.198 0.000 2.648 562 c HA 0.068 4.656 4.570 0.031 0.000 0.419 562 c C 1.453 175.640 174.090 0.161 0.000 1.352 562 c CA -0.119 56.328 56.329 0.198 0.000 1.816 562 c CB -0.181 42.403 42.510 0.123 0.000 2.598 562 c HN 0.699 nan 8.230 nan 0.000 0.598 563 S N 2.249 118.044 115.700 0.159 0.000 2.549 563 S HA 0.491 4.980 4.470 0.031 0.000 0.279 563 S C 0.977 175.621 174.600 0.073 0.000 1.321 563 S CA 0.967 59.220 58.200 0.089 0.000 1.054 563 S CB 0.146 63.380 63.200 0.057 0.000 0.899 563 S HN 1.540 nan 8.310 nan 0.000 0.497 564 G N 4.007 112.839 108.800 0.054 0.000 4.045 564 G HA2 -0.348 3.631 3.960 0.031 0.000 0.261 564 G HA3 -0.348 3.631 3.960 0.031 0.000 0.261 564 G C 1.335 176.262 174.900 0.044 0.000 1.772 564 G CA 0.805 45.932 45.100 0.044 0.000 1.264 564 G HN 1.631 nan 8.290 nan 0.000 0.609 565 S N 0.582 116.310 115.700 0.048 0.000 2.354 565 S HA 0.271 4.760 4.470 0.031 0.000 0.219 565 S C 2.633 177.258 174.600 0.043 0.000 1.035 565 S CA 2.970 61.195 58.200 0.041 0.000 1.037 565 S CB -0.666 62.559 63.200 0.042 0.000 0.956 565 S HN 2.855 nan 8.310 nan 0.000 0.428 566 G N 1.073 109.906 108.800 0.056 0.000 2.229 566 G HA2 -0.166 3.813 3.960 0.031 0.000 0.189 566 G HA3 -0.166 3.813 3.960 0.031 0.000 0.189 566 G C -0.061 174.873 174.900 0.056 0.000 1.000 566 G CA -0.087 45.047 45.100 0.057 0.000 0.663 566 G HN 0.952 nan 8.290 nan 0.000 0.493 567 K N 0.686 121.116 120.400 0.050 0.000 2.258 567 K HA 0.564 4.903 4.320 0.031 0.000 0.264 567 K C -2.805 173.823 176.600 0.047 0.000 1.007 567 K CA -1.598 54.712 56.287 0.039 0.000 0.941 567 K CB 0.565 33.083 32.500 0.029 0.000 0.966 567 K HN 0.026 nan 8.250 nan 0.000 0.480 568 P HA -0.073 nan 4.420 nan 0.000 0.267 568 P C 0.641 177.946 177.300 0.008 0.000 1.209 568 P CA -0.239 62.874 63.100 0.022 0.000 0.763 568 P CB 0.739 32.439 31.700 0.001 0.000 0.816 569 V N 4.777 124.691 119.914 0.000 0.000 2.439 569 V HA -0.291 3.848 4.120 0.031 0.000 0.253 569 V C 2.180 178.241 176.094 -0.055 0.000 1.074 569 V CA 2.279 64.555 62.300 -0.039 0.000 1.076 569 V CB -1.204 30.527 31.823 -0.153 0.000 0.664 569 V HN 0.654 nan 8.190 nan 0.000 0.461 570 R N 0.232 120.696 120.500 -0.061 0.000 2.357 570 R HA -0.016 4.343 4.340 0.031 0.000 0.202 570 R C 1.798 178.070 176.300 -0.045 0.000 1.047 570 R CA 1.277 57.338 56.100 -0.065 0.000 1.034 570 R CB -0.553 29.701 30.300 -0.078 0.000 0.875 570 R HN 0.435 nan 8.270 nan 0.000 0.473 571 S N 0.655 116.338 115.700 -0.028 0.000 2.501 571 S HA 0.163 4.652 4.470 0.031 0.000 0.220 571 S C 0.748 175.342 174.600 -0.011 0.000 0.997 571 S CA -0.082 58.107 58.200 -0.018 0.000 0.919 571 S CB 0.093 63.288 63.200 -0.007 0.000 0.778 571 S HN 0.154 nan 8.310 nan 0.000 0.523 572 I N 2.588 123.153 120.570 -0.008 0.000 2.588 572 I HA 0.215 4.404 4.170 0.031 0.000 0.283 572 I C -0.077 176.038 176.117 -0.004 0.000 1.119 572 I CA 0.100 61.400 61.300 0.000 0.000 1.419 572 I CB -0.149 37.856 38.000 0.008 0.000 1.394 572 I HN 0.117 nan 8.210 nan 0.000 0.562 573 I N 5.710 126.281 120.570 0.002 0.000 2.517 573 I HA 0.209 4.398 4.170 0.031 0.000 0.280 573 I C -0.594 175.529 176.117 0.009 0.000 1.061 573 I CA -0.271 61.030 61.300 0.002 0.000 1.091 573 I CB 1.509 39.508 38.000 -0.002 0.000 1.205 573 I HN 0.461 nan 8.210 nan 0.000 0.459 574 c N 5.639 124.248 118.600 0.015 0.000 2.452 574 c HA 0.441 5.030 4.570 0.031 0.000 0.379 574 c C -0.992 173.108 174.090 0.018 0.000 1.275 574 c CA -0.798 55.543 56.329 0.019 0.000 2.056 574 c CB -0.258 42.268 42.510 0.027 0.000 2.506 574 c HN 0.534 nan 8.230 nan 0.000 0.560 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.109 63.100 0.015 0.000 0.800 575 P CB 0.000 31.708 31.700 0.014 0.000 0.726