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 3bic_1_A DATA FIRST_RESID 27 DATA SEQUENCE LIQQRLLHQQ QPLHPEWAAL AKKQLKGKNP EDLIWHTPEG ISIKPLYSKR DATA SEQUENCE DTMDLPEELP GVKPFTRGPY PTMYTFRPWT IRQYAGFSTV EESNKFYKDN DATA SEQUENCE IKXXQQGLSV AFDLATHRGY DSDNPRVRGD VGMAGVAIDT VEDTKILFDG DATA SEQUENCE IPLEKMSVSM TMNGAVIPVL ANFIVTGEEQ GVPKEKLTGT IQNDILKEFM DATA SEQUENCE VRNTYIFPPE PSMKIIADIF EYTAKHMPKF NSISISGYHM QEAGADAILE DATA SEQUENCE LAYTLADGLE YSRTGLQAGL TIDEFAPRLS FFWGIGMNFY MEIAKMRAGR DATA SEQUENCE RLWAHLIEKM FQPKNSKSLL LRAHCQTSGW SLTEQDPYNN IVRTAIEAMA DATA SEQUENCE AVFGGTQSLH TNSFDEALGL PTVKSARIAR NTQIIIQEES GIPKVADPWG DATA SEQUENCE GSYMMECLTN DVYDAALKLI NEIEEMGGMA KAVAEGIPKL RIEECAARRQ DATA SEQUENCE ARIDSGSEVI VGVNKYQLEK EDTVXXLAID NTSVRNRQIE KLKKIKSSRD DATA SEQUENCE QALAERCLAA LTECAASGDG NILALAVDAS RARCTVGEIT DALKKVFGEH DATA SEQUENCE KANDRMVSGA YRQEFGESKE ITSAIKRVHK FMEREGRRPR LLVAKMGQDG DATA SEQUENCE HDRGAKVIAT GFADLGFDVD IGPLFQTPRE VAQQAVDADV HAVGVSTLAA DATA SEQUENCE GHKTLVPELI KELNSLGRPD ILVMCGGVIP PQDYEFLFEV GVSNVFGPGT DATA SEQUENCE RIPKAAVQVL DDIEKCLEK 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 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.880 176.870 0.016 0.000 1.165 27 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 27 L CB 0.000 42.082 42.059 0.039 0.000 0.961 28 I N 1.454 122.029 120.570 0.008 0.000 2.325 28 I HA 0.145 4.322 4.170 0.011 0.000 0.291 28 I C 0.571 176.725 176.117 0.060 0.000 1.019 28 I CA -0.292 61.011 61.300 0.006 0.000 1.302 28 I CB 1.575 39.549 38.000 -0.042 0.000 1.401 28 I HN 0.532 nan 8.210 nan 0.000 0.485 29 Q N 3.684 123.521 119.800 0.062 0.000 2.310 29 Q HA -0.127 4.220 4.340 0.011 0.000 0.315 29 Q C 0.874 176.902 176.000 0.046 0.000 1.081 29 Q CA 0.168 56.029 55.803 0.097 0.000 0.981 29 Q CB 0.816 29.587 28.738 0.056 0.000 1.184 29 Q HN 0.588 nan 8.270 nan 0.000 0.389 30 Q N 1.593 121.446 119.800 0.089 0.000 2.224 30 Q HA -0.156 4.191 4.340 0.011 0.000 0.203 30 Q C 2.124 178.098 176.000 -0.043 0.000 0.970 30 Q CA 2.021 57.807 55.803 -0.028 0.000 0.865 30 Q CB -0.005 28.742 28.738 0.016 0.000 0.922 30 Q HN 0.702 nan 8.270 nan 0.000 0.445 31 R N -0.937 119.574 120.500 0.018 0.000 2.280 31 R HA -0.001 4.345 4.340 0.011 0.000 0.207 31 R C 1.367 177.659 176.300 -0.013 0.000 1.043 31 R CA 0.880 56.995 56.100 0.024 0.000 1.006 31 R CB -0.206 30.118 30.300 0.039 0.000 0.885 31 R HN 0.233 nan 8.270 nan 0.000 0.467 32 L N 0.367 121.561 121.223 -0.048 0.000 2.354 32 L HA 0.115 4.462 4.340 0.011 0.000 0.212 32 L C 1.984 178.784 176.870 -0.116 0.000 1.091 32 L CA 0.366 55.171 54.840 -0.058 0.000 0.828 32 L CB -0.062 41.970 42.059 -0.044 0.000 0.973 32 L HN 0.155 nan 8.230 nan 0.000 0.461 33 L N -1.294 119.785 121.223 -0.240 0.000 2.270 33 L HA 0.016 4.363 4.340 0.011 0.000 0.210 33 L C 0.253 176.863 176.870 -0.433 0.000 1.104 33 L CA 0.486 55.076 54.840 -0.416 0.000 0.804 33 L CB -0.200 41.450 42.059 -0.682 0.000 0.937 33 L HN 0.266 nan 8.230 nan 0.000 0.450 34 H N 0.073 119.137 119.070 -0.010 0.000 2.727 34 H HA 0.319 4.882 4.556 0.011 0.000 0.330 34 H C -0.658 174.669 175.328 -0.001 0.000 0.986 34 H CA -0.757 55.286 56.048 -0.008 0.000 1.251 34 H CB 0.932 30.687 29.762 -0.011 0.000 1.493 34 H HN 0.071 nan 8.280 nan 0.000 0.515 35 Q N 2.864 122.730 119.800 0.110 0.000 2.247 35 Q HA 0.014 4.360 4.340 0.011 0.000 0.288 35 Q C 0.147 176.184 176.000 0.061 0.000 1.079 35 Q CA 0.049 55.888 55.803 0.059 0.000 0.932 35 Q CB 0.756 29.515 28.738 0.035 0.000 1.133 35 Q HN 0.402 nan 8.270 nan 0.000 0.377 36 Q N 2.158 121.987 119.800 0.049 0.000 2.340 36 Q HA 0.138 4.485 4.340 0.011 0.000 0.249 36 Q C -0.337 175.675 176.000 0.020 0.000 0.957 36 Q CA 0.157 55.986 55.803 0.045 0.000 0.882 36 Q CB 0.869 29.631 28.738 0.040 0.000 1.235 36 Q HN 0.471 nan 8.270 nan 0.000 0.439 37 Q N 1.739 121.545 119.800 0.010 0.000 2.345 37 Q HA 0.515 4.862 4.340 0.011 0.000 0.268 37 Q C -2.011 173.965 176.000 -0.039 0.000 1.054 37 Q CA -1.670 54.120 55.803 -0.021 0.000 0.835 37 Q CB 1.738 30.455 28.738 -0.036 0.000 1.339 37 Q HN 0.455 nan 8.270 nan 0.000 0.447 38 P HA 0.238 nan 4.420 nan 0.000 0.297 38 P C -0.070 177.193 177.300 -0.063 0.000 1.303 38 P CA -0.608 62.467 63.100 -0.041 0.000 0.753 38 P CB 0.782 32.469 31.700 -0.021 0.000 1.281 39 L N 0.404 121.609 121.223 -0.030 0.000 2.525 39 L HA -0.018 4.329 4.340 0.011 0.000 0.278 39 L C 1.509 178.417 176.870 0.062 0.000 1.218 39 L CA 0.077 54.925 54.840 0.013 0.000 0.878 39 L CB -0.376 41.757 42.059 0.123 0.000 1.127 39 L HN 0.476 nan 8.230 nan 0.000 0.492 40 H N 5.957 125.027 119.070 -0.000 0.000 3.107 40 H HA -0.011 4.551 4.556 0.011 0.000 0.301 40 H C -1.770 173.645 175.328 0.145 0.000 0.981 40 H CA -1.139 54.938 56.048 0.049 0.000 1.443 40 H CB 1.245 31.022 29.762 0.025 0.000 1.479 40 H HN 0.374 nan 8.280 nan 0.000 0.564 41 P HA -0.083 nan 4.420 nan 0.000 0.215 41 P C 1.404 178.809 177.300 0.174 0.000 1.157 41 P CA 1.996 65.137 63.100 0.068 0.000 0.859 41 P CB 0.129 31.807 31.700 -0.037 0.000 0.786 42 E N -0.445 119.922 120.200 0.278 0.000 2.077 42 E HA -0.226 4.131 4.350 0.011 0.000 0.193 42 E C 1.846 178.597 176.600 0.251 0.000 0.989 42 E CA 1.484 58.039 56.400 0.258 0.000 0.800 42 E CB -2.012 27.865 29.700 0.294 0.000 0.746 42 E HN 0.374 nan 8.360 nan 0.000 0.452 43 W N 0.887 122.310 121.300 0.205 0.000 2.358 43 W HA 0.024 4.691 4.660 0.012 0.000 0.303 43 W C 2.668 179.210 176.519 0.038 0.000 1.208 43 W CA 2.408 59.773 57.345 0.033 0.000 1.274 43 W CB -0.159 29.269 29.460 -0.053 0.000 1.138 43 W HN 0.379 nan 8.180 nan 0.000 0.515 44 A N 0.895 123.839 122.820 0.208 0.000 1.908 44 A HA -0.127 4.200 4.320 0.011 0.000 0.218 44 A C 2.117 179.586 177.584 -0.192 0.000 1.181 44 A CA 2.743 54.753 52.037 -0.044 0.000 0.627 44 A CB -1.603 17.486 19.000 0.149 0.000 0.818 44 A HN 0.456 nan 8.150 nan 0.000 0.445 45 A N -0.362 122.406 122.820 -0.086 0.000 1.908 45 A HA -0.096 4.230 4.320 0.011 0.000 0.218 45 A C 2.195 179.681 177.584 -0.163 0.000 1.181 45 A CA 1.634 53.615 52.037 -0.092 0.000 0.627 45 A CB -0.628 18.352 19.000 -0.034 0.000 0.818 45 A HN 0.487 nan 8.150 nan 0.000 0.445 46 L N -0.961 120.127 121.223 -0.224 0.000 2.056 46 L HA -0.174 4.172 4.340 0.011 0.000 0.207 46 L C 3.110 179.759 176.870 -0.369 0.000 1.078 46 L CA 0.995 55.679 54.840 -0.261 0.000 0.749 46 L CB -0.510 41.394 42.059 -0.258 0.000 0.901 46 L HN 0.444 nan 8.230 nan 0.000 0.433 47 A N 0.022 122.461 122.820 -0.634 0.000 1.877 47 A HA -0.267 4.060 4.320 0.011 0.000 0.216 47 A C 2.377 179.763 177.584 -0.330 0.000 1.186 47 A CA 1.990 53.642 52.037 -0.641 0.000 0.620 47 A CB -0.466 17.862 19.000 -1.119 0.000 0.822 47 A HN 0.312 nan 8.150 nan 0.000 0.443 48 K N -0.240 120.004 120.400 -0.260 0.000 2.063 48 K HA -0.218 4.109 4.320 0.011 0.000 0.208 48 K C 2.402 178.932 176.600 -0.116 0.000 1.048 48 K CA 2.095 58.295 56.287 -0.145 0.000 0.928 48 K CB -0.304 32.133 32.500 -0.105 0.000 0.713 48 K HN 0.413 nan 8.250 nan 0.000 0.442 49 K N 1.116 121.441 120.400 -0.125 0.000 2.026 49 K HA -0.205 4.122 4.320 0.011 0.000 0.208 49 K C 1.923 178.471 176.600 -0.087 0.000 1.048 49 K CA 1.785 58.017 56.287 -0.092 0.000 0.929 49 K CB -0.949 31.499 32.500 -0.087 0.000 0.713 49 K HN 0.477 nan 8.250 nan 0.000 0.439 50 Q N -0.388 119.345 119.800 -0.113 0.000 2.050 50 Q HA -0.016 4.331 4.340 0.011 0.000 0.202 50 Q C 1.656 177.615 176.000 -0.069 0.000 0.980 50 Q CA 1.433 57.182 55.803 -0.090 0.000 0.840 50 Q CB -0.097 28.576 28.738 -0.108 0.000 0.898 50 Q HN 0.606 nan 8.270 nan 0.000 0.424 51 L N 0.929 122.104 121.223 -0.079 0.000 2.688 51 L HA 0.133 4.480 4.340 0.011 0.000 0.234 51 L C -0.166 176.678 176.870 -0.043 0.000 1.192 51 L CA 0.062 54.870 54.840 -0.054 0.000 0.984 51 L CB -0.036 41.991 42.059 -0.053 0.000 1.232 51 L HN 0.196 nan 8.230 nan 0.000 0.465 52 K N 0.623 120.996 120.400 -0.046 0.000 3.150 52 K HA -0.241 4.086 4.320 0.011 0.000 0.267 52 K C 1.004 177.586 176.600 -0.031 0.000 1.028 52 K CA 0.294 56.560 56.287 -0.034 0.000 0.753 52 K CB -1.735 30.750 32.500 -0.025 0.000 1.288 52 K HN 0.681 nan 8.250 nan 0.000 0.473 53 G N 0.076 108.853 108.800 -0.038 0.000 2.234 53 G HA2 -0.371 3.596 3.960 0.011 0.000 0.235 53 G HA3 -0.371 3.596 3.960 0.011 0.000 0.235 53 G C 0.114 174.998 174.900 -0.026 0.000 0.997 53 G CA 0.312 45.394 45.100 -0.030 0.000 0.623 53 G HN 0.387 nan 8.290 nan 0.000 0.514 54 K N 1.209 121.594 120.400 -0.026 0.000 2.511 54 K HA 0.133 4.459 4.320 0.011 0.000 0.280 54 K C 0.475 177.064 176.600 -0.018 0.000 1.008 54 K CA -0.081 56.197 56.287 -0.016 0.000 1.050 54 K CB 0.148 32.640 32.500 -0.014 0.000 0.889 54 K HN 0.213 nan 8.250 nan 0.000 0.484 55 N N 5.747 124.446 118.700 -0.001 0.000 2.440 55 N HA 0.001 4.747 4.740 0.011 0.000 0.265 55 N C -1.842 173.678 175.510 0.017 0.000 1.239 55 N CA -1.899 51.155 53.050 0.007 0.000 0.909 55 N CB 0.987 39.488 38.487 0.023 0.000 1.066 55 N HN 0.422 nan 8.380 nan 0.000 0.474 56 P HA -0.112 nan 4.420 nan 0.000 0.225 56 P C 0.377 177.741 177.300 0.108 0.000 1.148 56 P CA 1.083 64.207 63.100 0.039 0.000 0.779 56 P CB 0.347 32.044 31.700 -0.005 0.000 0.780 57 E N 0.043 120.297 120.200 0.089 0.000 2.265 57 E HA -0.154 4.202 4.350 0.011 0.000 0.196 57 E C 1.051 177.714 176.600 0.106 0.000 0.996 57 E CA 0.704 57.162 56.400 0.097 0.000 0.832 57 E CB -0.408 29.343 29.700 0.086 0.000 0.756 57 E HN 0.294 nan 8.360 nan 0.000 0.491 58 D N 0.237 120.693 120.400 0.092 0.000 2.378 58 D HA -0.088 4.559 4.640 0.011 0.000 0.222 58 D C 1.332 177.692 176.300 0.100 0.000 0.980 58 D CA 0.712 54.771 54.000 0.097 0.000 0.907 58 D CB 0.097 40.938 40.800 0.068 0.000 0.899 58 D HN 0.236 nan 8.370 nan 0.000 0.527 59 L N 0.046 121.330 121.223 0.103 0.000 2.607 59 L HA 0.226 4.572 4.340 0.011 0.000 0.228 59 L C 0.732 177.662 176.870 0.099 0.000 1.123 59 L CA -0.184 54.720 54.840 0.107 0.000 0.890 59 L CB 0.337 42.485 42.059 0.149 0.000 1.103 59 L HN -0.132 nan 8.230 nan 0.000 0.468 60 I N 0.618 121.223 120.570 0.058 0.000 2.598 60 I HA -0.112 4.065 4.170 0.011 0.000 0.284 60 I C -0.250 175.829 176.117 -0.063 0.000 1.140 60 I CA -0.010 61.266 61.300 -0.040 0.000 1.420 60 I CB 0.377 38.282 38.000 -0.159 0.000 1.387 60 I HN 0.225 nan 8.210 nan 0.000 0.553 61 W N 8.292 129.481 121.300 -0.184 0.000 2.437 61 W HA 0.183 4.850 4.660 0.012 0.000 0.312 61 W C -0.136 176.270 176.519 -0.190 0.000 1.242 61 W CA -0.701 56.578 57.345 -0.111 0.000 1.340 61 W CB -0.147 29.312 29.460 -0.000 0.000 1.327 61 W HN 0.418 nan 8.180 nan 0.000 0.476 62 H N 4.969 124.193 119.070 0.256 0.000 2.908 62 H HA 0.106 4.668 4.556 0.011 0.000 0.269 62 H C 0.832 176.116 175.328 -0.073 0.000 1.303 62 H CA 0.077 56.148 56.048 0.039 0.000 1.341 62 H CB -0.223 29.581 29.762 0.071 0.000 1.519 62 H HN 0.255 nan 8.280 nan 0.000 0.505 63 T N 0.516 114.887 114.554 -0.305 0.000 2.900 63 T HA 0.050 4.406 4.350 0.011 0.000 0.307 63 T C -1.378 173.247 174.700 -0.125 0.000 1.065 63 T CA -1.536 60.321 62.100 -0.405 0.000 1.105 63 T CB 1.278 69.731 68.868 -0.691 0.000 0.979 63 T HN 0.146 nan 8.240 nan 0.000 0.544 64 P HA -0.106 nan 4.420 nan 0.000 0.217 64 P C 1.195 178.456 177.300 -0.065 0.000 1.148 64 P CA 1.019 64.102 63.100 -0.029 0.000 0.834 64 P CB -0.005 31.692 31.700 -0.006 0.000 0.783 65 E N -1.530 118.604 120.200 -0.111 0.000 2.331 65 E HA 0.007 4.364 4.350 0.011 0.000 0.199 65 E C 1.619 178.163 176.600 -0.093 0.000 1.008 65 E CA 1.270 57.600 56.400 -0.116 0.000 0.843 65 E CB -0.961 28.646 29.700 -0.155 0.000 0.761 65 E HN 0.295 nan 8.360 nan 0.000 0.507 66 G N -0.292 108.461 108.800 -0.078 0.000 2.175 66 G HA2 -0.285 3.682 3.960 0.011 0.000 0.244 66 G HA3 -0.285 3.682 3.960 0.011 0.000 0.244 66 G C 0.231 175.106 174.900 -0.042 0.000 0.982 66 G CA 0.052 45.126 45.100 -0.044 0.000 0.641 66 G HN 0.245 nan 8.290 nan 0.000 0.527 67 I N 2.000 122.513 120.570 -0.094 0.000 2.365 67 I HA 0.402 4.579 4.170 0.011 0.000 0.291 67 I C 0.396 176.442 176.117 -0.118 0.000 1.004 67 I CA -0.414 60.829 61.300 -0.096 0.000 1.311 67 I CB 1.697 39.615 38.000 -0.137 0.000 1.401 67 I HN 0.043 nan 8.210 nan 0.000 0.491 68 S N 6.998 122.669 115.700 -0.049 0.000 2.452 68 S HA 0.519 4.996 4.470 0.011 0.000 0.284 68 S C -0.154 174.413 174.600 -0.054 0.000 1.171 68 S CA -0.445 57.709 58.200 -0.076 0.000 1.064 68 S CB 0.421 63.612 63.200 -0.015 0.000 0.967 68 S HN 0.310 nan 8.310 nan 0.000 0.484 69 I N 3.708 124.247 120.570 -0.053 0.000 2.339 69 I HA 0.297 4.474 4.170 0.011 0.000 0.290 69 I C 0.321 176.525 176.117 0.145 0.000 0.994 69 I CA -0.711 60.658 61.300 0.116 0.000 1.191 69 I CB 1.225 39.306 38.000 0.136 0.000 1.343 69 I HN 0.353 nan 8.210 nan 0.000 0.458 70 K N 7.361 127.813 120.400 0.088 0.000 2.258 70 K HA 0.171 4.497 4.320 0.011 0.000 0.264 70 K C -1.450 175.125 176.600 -0.042 0.000 1.007 70 K CA -1.202 54.987 56.287 -0.162 0.000 0.941 70 K CB 0.775 32.878 32.500 -0.662 0.000 0.966 70 K HN 0.374 nan 8.250 nan 0.000 0.480 71 P HA -0.042 nan 4.420 nan 0.000 0.241 71 P C -0.450 176.737 177.300 -0.189 0.000 1.191 71 P CA 0.611 63.707 63.100 -0.006 0.000 0.771 71 P CB 0.316 32.084 31.700 0.114 0.000 0.929 72 L N -0.880 120.066 121.223 -0.462 0.000 2.526 72 L HA 0.507 4.853 4.340 0.011 0.000 0.263 72 L C -1.639 174.880 176.870 -0.586 0.000 0.943 72 L CA -1.055 53.412 54.840 -0.622 0.000 0.859 72 L CB 1.749 42.906 42.059 -1.502 0.000 1.313 72 L HN -0.290 nan 8.230 nan 0.000 0.406 73 Y N 2.041 122.200 120.300 -0.235 0.000 2.570 73 Y HA 0.851 5.407 4.550 0.011 0.000 0.345 73 Y C 0.255 176.057 175.900 -0.163 0.000 1.014 73 Y CA -0.008 58.009 58.100 -0.137 0.000 1.063 73 Y CB 2.536 40.991 38.460 -0.008 0.000 1.272 73 Y HN 0.710 nan 8.280 nan 0.000 0.477 74 S N 0.011 115.581 115.700 -0.216 0.000 2.705 74 S HA 0.357 4.834 4.470 0.011 0.000 0.280 74 S C 0.485 174.341 174.600 -1.239 0.000 1.174 74 S CA -0.953 56.858 58.200 -0.648 0.000 0.823 74 S CB 1.825 64.844 63.200 -0.302 0.000 1.162 74 S HN 0.703 nan 8.310 nan 0.000 0.487 75 K N 1.000 120.716 120.400 -1.140 0.000 2.089 75 K HA -0.210 4.116 4.320 0.011 0.000 0.210 75 K C 2.285 178.680 176.600 -0.341 0.000 1.048 75 K CA 2.040 57.894 56.287 -0.723 0.000 0.926 75 K CB -0.405 31.961 32.500 -0.222 0.000 0.714 75 K HN 0.689 nan 8.250 nan 0.000 0.448 76 R N -0.080 120.288 120.500 -0.220 0.000 2.237 76 R HA -0.092 4.255 4.340 0.011 0.000 0.219 76 R C 0.979 177.230 176.300 -0.082 0.000 1.080 76 R CA 1.615 57.651 56.100 -0.106 0.000 0.995 76 R CB -0.221 30.038 30.300 -0.069 0.000 0.875 76 R HN 0.232 nan 8.270 nan 0.000 0.462 77 D N 1.288 121.626 120.400 -0.103 0.000 2.312 77 D HA -0.067 4.579 4.640 0.011 0.000 0.211 77 D C 0.817 177.122 176.300 0.009 0.000 0.964 77 D CA 1.732 55.730 54.000 -0.003 0.000 0.877 77 D CB 0.378 41.244 40.800 0.111 0.000 0.924 77 D HN 0.525 nan 8.370 nan 0.000 0.515 78 T N -3.157 111.395 114.554 -0.004 0.000 3.288 78 T HA 0.264 4.620 4.350 0.011 0.000 0.293 78 T C 1.489 176.176 174.700 -0.022 0.000 1.008 78 T CA -0.294 61.807 62.100 0.001 0.000 0.929 78 T CB -0.007 68.923 68.868 0.103 0.000 1.152 78 T HN -0.149 nan 8.240 nan 0.000 0.517 79 M N 2.524 122.109 119.600 -0.025 0.000 2.296 79 M HA -0.007 4.479 4.480 0.011 0.000 0.265 79 M C 1.335 177.622 176.300 -0.022 0.000 1.064 79 M CA 1.549 56.839 55.300 -0.016 0.000 1.109 79 M CB -0.065 32.528 32.600 -0.013 0.000 1.396 79 M HN 0.351 nan 8.290 nan 0.000 0.430 80 D N -0.334 120.043 120.400 -0.039 0.000 2.388 80 D HA 0.112 4.758 4.640 0.011 0.000 0.221 80 D C -0.051 176.179 176.300 -0.117 0.000 1.133 80 D CA 0.034 54.023 54.000 -0.019 0.000 0.831 80 D CB -0.411 40.434 40.800 0.074 0.000 0.962 80 D HN 0.237 nan 8.370 nan 0.000 0.502 81 L N 1.749 122.852 121.223 -0.200 0.000 2.349 81 L HA 0.339 4.685 4.340 0.011 0.000 0.275 81 L C -1.602 175.200 176.870 -0.112 0.000 1.115 81 L CA -1.616 53.057 54.840 -0.279 0.000 0.820 81 L CB 0.530 42.446 42.059 -0.238 0.000 1.135 81 L HN -0.082 nan 8.230 nan 0.000 0.445 82 P HA 0.031 nan 4.420 nan 0.000 0.274 82 P C -0.773 176.505 177.300 -0.036 0.000 1.237 82 P CA -0.508 62.576 63.100 -0.027 0.000 0.793 82 P CB 0.672 32.372 31.700 -0.001 0.000 0.977 83 E N 1.264 121.449 120.200 -0.025 0.000 1.932 83 E HA 0.055 4.411 4.350 0.011 0.000 0.275 83 E C -0.333 176.249 176.600 -0.031 0.000 1.159 83 E CA -0.155 56.230 56.400 -0.025 0.000 0.905 83 E CB 0.018 29.707 29.700 -0.017 0.000 1.059 83 E HN 0.257 nan 8.360 nan 0.000 0.400 84 E N 3.516 123.694 120.200 -0.037 0.000 2.283 84 E HA 0.417 4.774 4.350 0.011 0.000 0.267 84 E C -0.452 176.128 176.600 -0.033 0.000 1.045 84 E CA -0.631 55.742 56.400 -0.046 0.000 0.884 84 E CB 1.398 31.067 29.700 -0.052 0.000 1.106 84 E HN 0.476 nan 8.360 nan 0.000 0.408 85 L N 2.429 123.630 121.223 -0.038 0.000 2.422 85 L HA 0.411 4.758 4.340 0.011 0.000 0.264 85 L C -2.414 174.458 176.870 0.002 0.000 0.984 85 L CA -2.352 52.480 54.840 -0.012 0.000 0.819 85 L CB 2.298 44.352 42.059 -0.009 0.000 1.330 85 L HN 0.324 nan 8.230 nan 0.000 0.410 86 P HA 0.107 nan 4.420 nan 0.000 0.271 86 P C 0.701 178.077 177.300 0.127 0.000 1.216 86 P CA 0.519 63.667 63.100 0.080 0.000 0.776 86 P CB 1.147 32.888 31.700 0.068 0.000 0.881 87 G N 1.001 109.948 108.800 0.244 0.000 2.184 87 G HA2 -0.184 3.783 3.960 0.011 0.000 0.264 87 G HA3 -0.184 3.783 3.960 0.011 0.000 0.264 87 G C -0.184 174.887 174.900 0.285 0.000 0.975 87 G CA 0.025 45.327 45.100 0.336 0.000 0.642 87 G HN 0.558 nan 8.290 nan 0.000 0.536 88 V N 1.132 121.037 119.914 -0.015 0.000 2.444 88 V HA 0.442 4.569 4.120 0.011 0.000 0.294 88 V C 0.834 176.399 176.094 -0.882 0.000 1.022 88 V CA -0.949 61.174 62.300 -0.296 0.000 0.850 88 V CB 1.778 33.514 31.823 -0.144 0.000 0.992 88 V HN 0.477 nan 8.190 nan 0.000 0.426 89 K N 7.069 126.664 120.400 -1.342 0.000 2.547 89 K HA -0.076 4.251 4.320 0.011 0.000 0.275 89 K C -1.477 174.800 176.600 -0.538 0.000 1.001 89 K CA -0.185 55.404 56.287 -1.164 0.000 1.111 89 K CB 0.645 32.879 32.500 -0.444 0.000 0.832 89 K HN 0.483 nan 8.250 nan 0.000 0.485 90 P HA 0.059 nan 4.420 nan 0.000 0.253 90 P C -0.663 176.546 177.300 -0.151 0.000 1.459 90 P CA -0.152 62.766 63.100 -0.304 0.000 0.908 90 P CB -0.198 31.325 31.700 -0.295 0.000 1.470 91 F N -1.924 118.005 119.950 -0.036 0.000 3.057 91 F HA -0.233 4.299 4.527 0.009 0.000 0.287 91 F C 1.499 177.272 175.800 -0.044 0.000 0.834 91 F CA 1.070 59.047 58.000 -0.038 0.000 1.147 91 F CB -3.110 35.869 39.000 -0.036 0.000 1.245 91 F HN -0.029 nan 8.300 nan 0.000 0.509 92 T N -0.951 113.625 114.554 0.037 0.000 2.737 92 T HA -0.230 4.127 4.350 0.011 0.000 0.269 92 T C 1.816 176.531 174.700 0.025 0.000 1.040 92 T CA 1.951 64.059 62.100 0.013 0.000 1.142 92 T CB -0.146 68.700 68.868 -0.037 0.000 0.861 92 T HN 0.507 nan 8.240 nan 0.000 0.456 93 R N 0.804 121.323 120.500 0.031 0.000 2.317 93 R HA 0.417 4.764 4.340 0.011 0.000 0.208 93 R C 0.811 177.137 176.300 0.042 0.000 0.914 93 R CA 0.043 56.163 56.100 0.033 0.000 1.060 93 R CB 0.584 30.899 30.300 0.025 0.000 1.015 93 R HN 0.404 nan 8.270 nan 0.000 0.498 94 G N 0.435 109.274 108.800 0.065 0.000 2.318 94 G HA2 -0.022 3.944 3.960 0.011 0.000 0.302 94 G HA3 -0.022 3.944 3.960 0.011 0.000 0.302 94 G C -2.865 172.056 174.900 0.035 0.000 1.633 94 G CA -1.067 44.051 45.100 0.031 0.000 0.965 94 G HN -0.264 nan 8.290 nan 0.000 0.698 95 P HA 0.113 nan 4.420 nan 0.000 0.225 95 P C -0.158 176.825 177.300 -0.528 0.000 1.156 95 P CA 1.013 63.793 63.100 -0.533 0.000 0.787 95 P CB 0.068 31.209 31.700 -0.932 0.000 0.802 96 Y N -2.755 117.590 120.300 0.074 0.000 2.499 96 Y HA 0.363 4.919 4.550 0.010 0.000 0.347 96 Y C -1.615 174.335 175.900 0.082 0.000 0.987 96 Y CA -2.942 55.205 58.100 0.079 0.000 1.044 96 Y CB 0.142 38.639 38.460 0.061 0.000 1.245 96 Y HN -0.273 nan 8.280 nan 0.000 0.461 97 P HA -0.179 nan 4.420 nan 0.000 0.214 97 P C 1.290 178.665 177.300 0.125 0.000 1.163 97 P CA 2.760 65.951 63.100 0.151 0.000 0.889 97 P CB 0.053 31.827 31.700 0.123 0.000 0.790 98 T N -6.116 108.520 114.554 0.137 0.000 3.067 98 T HA 0.104 4.461 4.350 0.011 0.000 0.257 98 T C 1.261 176.032 174.700 0.119 0.000 1.105 98 T CA 0.215 62.389 62.100 0.123 0.000 1.104 98 T CB -0.525 68.423 68.868 0.133 0.000 0.925 98 T HN -0.235 nan 8.240 nan 0.000 0.498 99 M N 1.020 120.688 119.600 0.113 0.000 7.319 99 M HA -0.298 4.189 4.480 0.011 0.000 0.310 99 M C 1.045 177.389 176.300 0.074 0.000 0.480 99 M CA 2.129 57.413 55.300 -0.026 0.000 1.311 99 M CB -2.057 30.376 32.600 -0.277 0.000 0.421 99 M HN 0.457 nan 8.290 nan 0.000 0.722 100 Y N 0.215 120.654 120.300 0.232 0.000 2.458 100 Y HA 0.198 4.754 4.550 0.011 0.000 0.256 100 Y C 2.345 178.339 175.900 0.157 0.000 1.159 100 Y CA 0.999 59.227 58.100 0.214 0.000 1.261 100 Y CB -1.143 37.497 38.460 0.300 0.000 1.119 100 Y HN 0.738 nan 8.280 nan 0.000 0.524 101 T N -3.362 111.354 114.554 0.270 0.000 3.007 101 T HA -0.159 4.198 4.350 0.011 0.000 0.270 101 T C 1.565 176.416 174.700 0.251 0.000 1.107 101 T CA 1.104 63.337 62.100 0.221 0.000 1.118 101 T CB -0.415 68.558 68.868 0.174 0.000 0.889 101 T HN 0.254 nan 8.240 nan 0.000 0.506 102 F N 2.366 122.369 119.950 0.089 0.000 2.480 102 F HA 0.554 5.087 4.527 0.011 0.000 0.280 102 F C 1.102 176.925 175.800 0.039 0.000 1.002 102 F CA 0.111 58.142 58.000 0.052 0.000 1.325 102 F CB 0.028 39.049 39.000 0.035 0.000 1.134 102 F HN 0.282 nan 8.300 nan 0.000 0.646 103 R N 1.933 122.396 120.500 -0.062 0.000 2.532 103 R HA 0.620 4.966 4.340 0.011 0.000 0.297 103 R C -3.015 173.299 176.300 0.024 0.000 0.984 103 R CA -1.889 54.105 56.100 -0.176 0.000 0.884 103 R CB -0.553 29.635 30.300 -0.186 0.000 1.182 103 R HN 0.119 nan 8.270 nan 0.000 0.442 104 P HA 0.304 nan 4.420 nan 0.000 0.277 104 P C -0.308 176.915 177.300 -0.128 0.000 1.271 104 P CA -0.763 62.251 63.100 -0.143 0.000 0.795 104 P CB 0.405 31.726 31.700 -0.632 0.000 1.101 105 W N 0.134 121.354 121.300 -0.133 0.000 2.186 105 W HA 0.210 4.877 4.660 0.010 0.000 0.355 105 W C -0.609 175.889 176.519 -0.034 0.000 1.293 105 W CA -0.174 57.156 57.345 -0.025 0.000 1.316 105 W CB -1.586 27.803 29.460 -0.117 0.000 1.212 105 W HN 0.140 nan 8.180 nan 0.000 0.610 106 T N 3.473 118.129 114.554 0.170 0.000 2.856 106 T HA 0.330 4.687 4.350 0.011 0.000 0.292 106 T C 0.069 174.861 174.700 0.154 0.000 0.980 106 T CA -0.442 61.688 62.100 0.050 0.000 1.091 106 T CB 0.384 69.292 68.868 0.067 0.000 0.936 106 T HN 0.310 nan 8.240 nan 0.000 0.503 107 I N 3.300 123.881 120.570 0.017 0.000 2.337 107 I HA 0.284 4.461 4.170 0.011 0.000 0.291 107 I C 0.615 176.751 176.117 0.031 0.000 1.046 107 I CA -0.393 60.958 61.300 0.085 0.000 1.324 107 I CB 0.442 38.452 38.000 0.016 0.000 1.409 107 I HN 0.244 nan 8.210 nan 0.000 0.494 108 R N 4.477 125.021 120.500 0.072 0.000 2.472 108 R HA 0.252 4.599 4.340 0.011 0.000 0.294 108 R C 0.335 176.566 176.300 -0.116 0.000 1.243 108 R CA -0.658 55.369 56.100 -0.122 0.000 1.023 108 R CB 1.128 31.308 30.300 -0.199 0.000 1.157 108 R HN 0.587 nan 8.270 nan 0.000 0.530 109 Q N 0.475 120.157 119.800 -0.197 0.000 2.398 109 Q HA 0.135 4.482 4.340 0.011 0.000 0.204 109 Q C -0.194 175.505 176.000 -0.502 0.000 0.932 109 Q CA 0.263 55.897 55.803 -0.282 0.000 0.916 109 Q CB -0.019 28.684 28.738 -0.058 0.000 1.024 109 Q HN 0.800 nan 8.270 nan 0.000 0.504 110 Y N -0.388 119.708 120.300 -0.340 0.000 3.389 110 Y HA -0.280 4.277 4.550 0.011 0.000 0.213 110 Y C 0.184 175.994 175.900 -0.150 0.000 1.272 110 Y CA 0.193 58.144 58.100 -0.248 0.000 1.444 110 Y CB -1.904 36.362 38.460 -0.322 0.000 1.445 110 Y HN 0.091 nan 8.280 nan 0.000 0.583 111 A N 0.917 123.740 122.820 0.005 0.000 2.410 111 A HA 0.602 4.929 4.320 0.011 0.000 0.292 111 A C 1.008 178.549 177.584 -0.071 0.000 1.232 111 A CA 0.486 52.481 52.037 -0.071 0.000 0.893 111 A CB -0.138 18.786 19.000 -0.126 0.000 1.131 111 A HN 0.649 nan 8.150 nan 0.000 0.530 112 G N 0.744 109.451 108.800 -0.155 0.000 2.642 112 G HA2 0.727 4.694 3.960 0.011 0.000 0.291 112 G HA3 0.727 4.694 3.960 0.011 0.000 0.291 112 G C -0.781 173.844 174.900 -0.459 0.000 1.345 112 G CA -0.631 44.411 45.100 -0.097 0.000 1.043 112 G HN 0.500 nan 8.290 nan 0.000 0.528 113 F N -2.831 117.061 119.950 -0.097 0.000 2.664 113 F HA 0.566 5.100 4.527 0.011 0.000 0.317 113 F C 1.405 177.152 175.800 -0.088 0.000 1.108 113 F CA -0.055 57.873 58.000 -0.120 0.000 0.957 113 F CB 1.845 40.748 39.000 -0.162 0.000 1.365 113 F HN 0.539 nan 8.300 nan 0.000 0.475 114 S N -0.679 115.108 115.700 0.145 0.000 2.501 114 S HA 0.225 4.701 4.470 0.011 0.000 0.220 114 S C 0.649 175.278 174.600 0.048 0.000 0.997 114 S CA 1.196 59.436 58.200 0.067 0.000 0.919 114 S CB -0.455 62.772 63.200 0.045 0.000 0.778 114 S HN 0.633 nan 8.310 nan 0.000 0.523 115 T N -5.193 109.385 114.554 0.041 0.000 2.903 115 T HA 0.662 5.019 4.350 0.011 0.000 0.299 115 T C 1.044 175.694 174.700 -0.083 0.000 1.093 115 T CA -0.022 62.067 62.100 -0.019 0.000 1.002 115 T CB 1.061 69.909 68.868 -0.033 0.000 1.127 115 T HN 0.541 nan 8.240 nan 0.000 0.488 116 V N 0.970 120.831 119.914 -0.088 0.000 2.490 116 V HA -0.007 4.119 4.120 0.011 0.000 0.250 116 V C 2.337 178.320 176.094 -0.185 0.000 1.061 116 V CA 2.361 64.578 62.300 -0.138 0.000 1.064 116 V CB -1.049 30.717 31.823 -0.095 0.000 0.670 116 V HN 0.933 nan 8.190 nan 0.000 0.461 117 E N 0.253 120.362 120.200 -0.152 0.000 2.028 117 E HA -0.150 4.207 4.350 0.011 0.000 0.191 117 E C 2.124 178.573 176.600 -0.252 0.000 0.988 117 E CA 1.441 57.744 56.400 -0.161 0.000 0.799 117 E CB -0.237 29.397 29.700 -0.110 0.000 0.755 117 E HN 0.821 nan 8.360 nan 0.000 0.447 118 E N 0.327 120.346 120.200 -0.302 0.000 2.038 118 E HA -0.179 4.178 4.350 0.011 0.000 0.195 118 E C 2.192 178.281 176.600 -0.851 0.000 1.000 118 E CA 1.366 57.449 56.400 -0.529 0.000 0.803 118 E CB -0.109 29.291 29.700 -0.499 0.000 0.750 118 E HN 0.075 nan 8.360 nan 0.000 0.448 119 S N 0.954 116.193 115.700 -0.769 0.000 2.365 119 S HA -0.237 4.239 4.470 0.011 0.000 0.225 119 S C 1.759 175.751 174.600 -1.013 0.000 1.039 119 S CA 1.234 58.885 58.200 -0.915 0.000 1.033 119 S CB -0.523 62.290 63.200 -0.644 0.000 0.887 119 S HN 0.337 nan 8.310 nan 0.000 0.447 120 N N 1.421 119.775 118.700 -0.578 0.000 2.094 120 N HA -0.221 4.526 4.740 0.011 0.000 0.191 120 N C 1.966 177.344 175.510 -0.219 0.000 1.023 120 N CA 1.973 54.846 53.050 -0.294 0.000 0.857 120 N CB -0.296 38.099 38.487 -0.153 0.000 1.013 120 N HN 0.516 nan 8.380 nan 0.000 0.426 121 K N 1.041 121.288 120.400 -0.256 0.000 2.097 121 K HA -0.138 4.188 4.320 0.011 0.000 0.205 121 K C 1.872 178.408 176.600 -0.107 0.000 1.050 121 K CA 1.293 57.483 56.287 -0.162 0.000 0.938 121 K CB -1.368 31.031 32.500 -0.168 0.000 0.718 121 K HN 0.442 nan 8.250 nan 0.000 0.442 122 F N -0.216 119.486 119.950 -0.414 0.000 2.186 122 F HA -0.117 4.416 4.527 0.011 0.000 0.299 122 F C 2.238 178.022 175.800 -0.027 0.000 1.090 122 F CA 1.262 59.111 58.000 -0.253 0.000 1.307 122 F CB 0.137 38.925 39.000 -0.354 0.000 1.019 122 F HN 0.353 nan 8.300 nan 0.000 0.489 123 Y N 0.478 120.654 120.300 -0.207 0.000 2.242 123 Y HA -0.208 4.349 4.550 0.012 0.000 0.291 123 Y C 2.366 178.149 175.900 -0.195 0.000 1.137 123 Y CA 0.844 58.789 58.100 -0.258 0.000 1.181 123 Y CB -0.287 38.116 38.460 -0.096 0.000 0.989 123 Y HN -0.032 nan 8.280 nan 0.000 0.527 124 K N 0.265 120.687 120.400 0.037 0.000 2.097 124 K HA -0.159 4.168 4.320 0.011 0.000 0.205 124 K C 2.005 178.586 176.600 -0.032 0.000 1.050 124 K CA 1.340 57.629 56.287 0.003 0.000 0.938 124 K CB -0.608 31.895 32.500 0.006 0.000 0.718 124 K HN 0.502 nan 8.250 nan 0.000 0.442 125 D N 1.118 121.492 120.400 -0.043 0.000 2.097 125 D HA -0.222 4.425 4.640 0.011 0.000 0.195 125 D C 1.962 178.212 176.300 -0.083 0.000 0.989 125 D CA 1.780 55.762 54.000 -0.031 0.000 0.827 125 D CB -1.441 39.383 40.800 0.039 0.000 0.966 125 D HN 0.446 nan 8.370 nan 0.000 0.456 126 N N -0.047 118.524 118.700 -0.214 0.000 2.094 126 N HA 0.053 4.800 4.740 0.011 0.000 0.191 126 N C 2.485 177.911 175.510 -0.141 0.000 1.023 126 N CA 3.363 56.263 53.050 -0.250 0.000 0.857 126 N CB -1.187 37.013 38.487 -0.478 0.000 1.013 126 N HN 1.091 nan 8.380 nan 0.000 0.426 127 I N 0.250 120.756 120.570 -0.106 0.000 2.127 127 I HA 0.261 4.438 4.170 0.011 0.000 0.241 127 I C 2.096 178.181 176.117 -0.053 0.000 1.075 127 I CA 2.408 63.666 61.300 -0.069 0.000 1.334 127 I CB -1.964 36.011 38.000 -0.041 0.000 1.040 127 I HN 0.989 nan 8.210 nan 0.000 0.405 132 Q N -1.776 117.966 119.800 -0.097 0.000 2.024 132 Q HA 0.394 4.741 4.340 0.011 0.000 0.227 132 Q C 0.943 176.879 176.000 -0.108 0.000 0.720 132 Q CA 0.808 56.557 55.803 -0.090 0.000 0.884 132 Q CB 1.693 30.387 28.738 -0.074 0.000 1.212 132 Q HN 0.713 nan 8.270 nan 0.000 0.450 133 G N 0.551 109.273 108.800 -0.131 0.000 2.434 133 G HA2 0.667 4.634 3.960 0.011 0.000 0.330 133 G HA3 0.667 4.634 3.960 0.011 0.000 0.330 133 G C -1.624 173.160 174.900 -0.193 0.000 1.155 133 G CA -0.343 44.663 45.100 -0.157 0.000 0.917 133 G HN 0.134 nan 8.290 nan 0.000 0.493 134 L N 0.456 121.554 121.223 -0.209 0.000 2.545 134 L HA 0.674 5.020 4.340 0.011 0.000 0.258 134 L C -0.468 176.293 176.870 -0.181 0.000 0.942 134 L CA -0.640 54.043 54.840 -0.261 0.000 0.855 134 L CB 2.234 44.064 42.059 -0.382 0.000 1.374 134 L HN 0.831 nan 8.230 nan 0.000 0.411 135 S N 2.963 118.607 115.700 -0.093 0.000 2.570 135 S HA 0.901 5.377 4.470 0.011 0.000 0.286 135 S C -1.401 173.281 174.600 0.136 0.000 1.099 135 S CA -0.630 57.594 58.200 0.041 0.000 0.913 135 S CB 2.199 65.452 63.200 0.090 0.000 1.085 135 S HN 0.442 nan 8.310 nan 0.000 0.480 136 V N 1.603 121.560 119.914 0.071 0.000 2.531 136 V HA 0.835 4.962 4.120 0.011 0.000 0.301 136 V C 0.219 176.124 176.094 -0.315 0.000 1.034 136 V CA -0.494 61.736 62.300 -0.116 0.000 0.865 136 V CB 1.139 32.824 31.823 -0.230 0.000 0.995 136 V HN 1.273 nan 8.190 nan 0.000 0.424 137 A N 4.481 127.117 122.820 -0.308 0.000 2.325 137 A HA 0.975 5.302 4.320 0.011 0.000 0.333 137 A C -1.129 176.185 177.584 -0.450 0.000 1.155 137 A CA -0.339 51.566 52.037 -0.219 0.000 0.814 137 A CB 0.849 19.852 19.000 0.005 0.000 1.206 137 A HN 0.619 nan 8.150 nan 0.000 0.482 138 F N 0.589 120.601 119.950 0.104 0.000 2.538 138 F HA 0.405 4.939 4.527 0.011 0.000 0.325 138 F C 0.484 176.371 175.800 0.145 0.000 1.066 138 F CA -0.730 57.289 58.000 0.032 0.000 0.946 138 F CB 1.524 40.403 39.000 -0.201 0.000 1.199 138 F HN 0.728 nan 8.300 nan 0.000 0.473 139 D N 0.781 121.354 120.400 0.289 0.000 2.363 139 D HA 0.036 4.683 4.640 0.011 0.000 0.240 139 D C 0.837 177.329 176.300 0.321 0.000 1.236 139 D CA -0.144 54.002 54.000 0.243 0.000 0.927 139 D CB 0.630 41.524 40.800 0.156 0.000 1.150 139 D HN 0.536 nan 8.370 nan 0.000 0.458 140 L N 0.271 121.641 121.223 0.246 0.000 2.217 140 L HA -0.064 4.283 4.340 0.011 0.000 0.211 140 L C 2.582 179.564 176.870 0.187 0.000 1.107 140 L CA 1.243 56.215 54.840 0.221 0.000 0.783 140 L CB -0.577 41.566 42.059 0.140 0.000 0.919 140 L HN 0.610 nan 8.230 nan 0.000 0.442 141 A N 0.028 122.945 122.820 0.162 0.000 1.865 141 A HA -0.239 4.087 4.320 0.011 0.000 0.217 141 A C 2.390 180.062 177.584 0.147 0.000 1.191 141 A CA 2.591 54.736 52.037 0.179 0.000 0.623 141 A CB -1.047 18.031 19.000 0.129 0.000 0.826 141 A HN 0.366 nan 8.150 nan 0.000 0.444 142 T N -0.967 113.645 114.554 0.097 0.000 2.746 142 T HA -0.138 4.219 4.350 0.011 0.000 0.267 142 T C 1.814 176.448 174.700 -0.111 0.000 1.039 142 T CA 1.378 63.470 62.100 -0.013 0.000 1.142 142 T CB -0.510 68.354 68.868 -0.006 0.000 0.866 142 T HN 0.561 nan 8.240 nan 0.000 0.444 143 H N 1.337 120.375 119.070 -0.052 0.000 2.390 143 H HA 0.016 4.579 4.556 0.011 0.000 0.298 143 H C 1.866 177.076 175.328 -0.197 0.000 1.106 143 H CA 1.169 57.148 56.048 -0.114 0.000 1.297 143 H CB 0.098 29.825 29.762 -0.058 0.000 1.375 143 H HN 0.288 nan 8.280 nan 0.000 0.509 144 R N -0.220 120.226 120.500 -0.090 0.000 2.466 144 R HA 0.145 4.492 4.340 0.011 0.000 0.279 144 R C 0.702 176.684 176.300 -0.530 0.000 0.976 144 R CA 0.413 56.323 56.100 -0.316 0.000 1.081 144 R CB 0.691 30.803 30.300 -0.313 0.000 1.215 144 R HN 0.299 nan 8.270 nan 0.000 0.546 145 G N 1.376 109.965 108.800 -0.352 0.000 2.225 145 G HA2 -0.296 3.671 3.960 0.011 0.000 0.264 145 G HA3 -0.296 3.671 3.960 0.011 0.000 0.264 145 G C -0.574 174.098 174.900 -0.381 0.000 1.060 145 G CA 0.052 44.948 45.100 -0.340 0.000 0.833 145 G HN 0.270 nan 8.290 nan 0.000 0.498 146 Y N 0.115 120.372 120.300 -0.073 0.000 2.446 146 Y HA 0.546 5.103 4.550 0.012 0.000 0.338 146 Y C 0.622 176.505 175.900 -0.028 0.000 1.055 146 Y CA -1.408 56.663 58.100 -0.049 0.000 1.101 146 Y CB 1.240 39.670 38.460 -0.051 0.000 1.221 146 Y HN 0.113 nan 8.280 nan 0.000 0.460 147 D N -0.109 120.395 120.400 0.174 0.000 2.329 147 D HA 0.143 4.790 4.640 0.011 0.000 0.246 147 D C 0.631 176.978 176.300 0.078 0.000 1.111 147 D CA -0.025 54.032 54.000 0.094 0.000 0.941 147 D CB 1.578 42.417 40.800 0.066 0.000 1.169 147 D HN 0.524 nan 8.370 nan 0.000 0.441 148 S N 0.273 116.005 115.700 0.052 0.000 2.423 148 S HA -0.159 4.318 4.470 0.011 0.000 0.231 148 S C 1.204 175.813 174.600 0.014 0.000 1.014 148 S CA 0.911 59.132 58.200 0.034 0.000 0.965 148 S CB -0.087 63.131 63.200 0.031 0.000 0.785 148 S HN 0.575 nan 8.310 nan 0.000 0.495 149 D N 0.956 121.366 120.400 0.016 0.000 2.349 149 D HA -0.022 4.625 4.640 0.011 0.000 0.224 149 D C 0.302 176.598 176.300 -0.007 0.000 1.029 149 D CA 0.009 54.011 54.000 0.005 0.000 0.879 149 D CB -0.632 40.174 40.800 0.010 0.000 0.906 149 D HN 0.097 nan 8.370 nan 0.000 0.528 150 N N 1.835 120.526 118.700 -0.015 0.000 2.452 150 N HA 0.026 4.773 4.740 0.011 0.000 0.266 150 N C -1.469 173.987 175.510 -0.089 0.000 1.175 150 N CA -1.224 51.794 53.050 -0.055 0.000 0.945 150 N CB 1.651 40.082 38.487 -0.093 0.000 1.063 150 N HN -0.046 nan 8.380 nan 0.000 0.472 151 P HA -0.088 nan 4.420 nan 0.000 0.223 151 P C 0.945 178.188 177.300 -0.096 0.000 1.151 151 P CA 0.758 63.818 63.100 -0.065 0.000 0.787 151 P CB 0.344 32.019 31.700 -0.043 0.000 0.788 152 R N 1.001 121.406 120.500 -0.157 0.000 2.357 152 R HA -0.004 4.342 4.340 0.011 0.000 0.202 152 R C 1.210 177.367 176.300 -0.239 0.000 1.047 152 R CA 0.803 56.778 56.100 -0.207 0.000 1.034 152 R CB -0.300 29.814 30.300 -0.311 0.000 0.875 152 R HN 0.176 nan 8.270 nan 0.000 0.473 153 V N -5.625 114.167 119.914 -0.202 0.000 3.199 153 V HA 0.396 4.523 4.120 0.011 0.000 0.331 153 V C 1.546 177.605 176.094 -0.058 0.000 1.446 153 V CA 0.269 62.488 62.300 -0.135 0.000 1.120 153 V CB 0.061 31.793 31.823 -0.153 0.000 1.051 153 V HN 0.149 nan 8.190 nan 0.000 0.495 154 R N 1.512 121.981 120.500 -0.051 0.000 2.103 154 R HA -0.027 4.319 4.340 0.011 0.000 0.242 154 R C 2.095 178.387 176.300 -0.013 0.000 1.142 154 R CA 2.342 58.425 56.100 -0.027 0.000 0.960 154 R CB -1.699 28.586 30.300 -0.025 0.000 0.858 154 R HN 0.931 nan 8.270 nan 0.000 0.439 155 G N -0.239 108.555 108.800 -0.009 0.000 2.813 155 G HA2 -0.036 3.930 3.960 0.011 0.000 0.209 155 G HA3 -0.036 3.930 3.960 0.011 0.000 0.209 155 G C 0.780 175.689 174.900 0.015 0.000 1.150 155 G CA 0.662 45.762 45.100 0.001 0.000 0.785 155 G HN 0.566 nan 8.290 nan 0.000 0.535 156 D N -0.042 120.369 120.400 0.019 0.000 2.392 156 D HA 0.067 4.714 4.640 0.011 0.000 0.206 156 D C 1.007 177.339 176.300 0.054 0.000 1.046 156 D CA -0.011 54.016 54.000 0.044 0.000 0.865 156 D CB 0.768 41.598 40.800 0.050 0.000 0.969 156 D HN 0.022 nan 8.370 nan 0.000 0.509 157 V N 1.191 121.128 119.914 0.039 0.000 2.540 157 V HA 0.257 4.383 4.120 0.011 0.000 0.297 157 V C 1.623 177.745 176.094 0.046 0.000 1.024 157 V CA 1.041 63.368 62.300 0.046 0.000 1.105 157 V CB 0.471 32.312 31.823 0.030 0.000 0.938 157 V HN 0.499 nan 8.190 nan 0.000 0.482 158 G N 4.391 113.228 108.800 0.061 0.000 2.168 158 G HA2 -0.269 3.698 3.960 0.011 0.000 0.257 158 G HA3 -0.269 3.698 3.960 0.011 0.000 0.257 158 G C 0.552 175.482 174.900 0.049 0.000 0.997 158 G CA 0.586 45.717 45.100 0.052 0.000 0.708 158 G HN 0.459 nan 8.290 nan 0.000 0.520 159 M N -0.251 119.385 119.600 0.060 0.000 2.329 159 M HA 0.346 4.832 4.480 0.011 0.000 0.244 159 M C 2.830 179.164 176.300 0.057 0.000 1.156 159 M CA 1.826 57.156 55.300 0.050 0.000 1.192 159 M CB -1.366 31.266 32.600 0.053 0.000 1.241 159 M HN 0.581 nan 8.290 nan 0.000 0.465 160 A N -0.135 122.737 122.820 0.088 0.000 2.209 160 A HA 0.416 4.743 4.320 0.011 0.000 0.212 160 A C 1.162 178.807 177.584 0.102 0.000 1.158 160 A CA 1.294 53.390 52.037 0.098 0.000 0.742 160 A CB -0.558 18.526 19.000 0.139 0.000 0.790 160 A HN 0.622 nan 8.150 nan 0.000 0.472 161 G N -2.373 106.484 108.800 0.095 0.000 2.356 161 G HA2 0.379 4.346 3.960 0.011 0.000 0.281 161 G HA3 0.379 4.346 3.960 0.011 0.000 0.281 161 G C -1.161 173.775 174.900 0.059 0.000 1.246 161 G CA -0.011 45.126 45.100 0.062 0.000 0.889 161 G HN 0.293 nan 8.290 nan 0.000 0.486 162 V N 1.050 120.969 119.914 0.007 0.000 2.649 162 V HA 0.541 4.668 4.120 0.011 0.000 0.292 162 V C 0.945 177.107 176.094 0.114 0.000 1.055 162 V CA 0.318 62.630 62.300 0.020 0.000 1.023 162 V CB 1.299 33.080 31.823 -0.071 0.000 0.992 162 V HN 1.387 nan 8.190 nan 0.000 0.480 163 A N 6.759 129.635 122.820 0.094 0.000 2.279 163 A HA 0.639 4.966 4.320 0.011 0.000 0.306 163 A C -0.495 177.157 177.584 0.113 0.000 1.300 163 A CA -0.352 51.750 52.037 0.108 0.000 0.925 163 A CB -0.172 18.870 19.000 0.070 0.000 1.152 163 A HN 0.558 nan 8.150 nan 0.000 0.544 164 I N 2.826 123.483 120.570 0.144 0.000 2.378 164 I HA 0.331 4.508 4.170 0.011 0.000 0.291 164 I C -0.258 175.898 176.117 0.065 0.000 0.992 164 I CA -0.204 61.166 61.300 0.117 0.000 1.154 164 I CB 1.570 39.668 38.000 0.163 0.000 1.315 164 I HN 0.665 nan 8.210 nan 0.000 0.448 165 D N 2.549 122.981 120.400 0.053 0.000 2.461 165 D HA 0.059 4.706 4.640 0.011 0.000 0.266 165 D C 0.794 177.111 176.300 0.029 0.000 1.085 165 D CA 0.840 54.862 54.000 0.037 0.000 0.887 165 D CB 1.426 42.248 40.800 0.037 0.000 1.309 165 D HN 0.638 nan 8.370 nan 0.000 0.498 166 T N -2.843 111.732 114.554 0.034 0.000 2.838 166 T HA 0.299 4.655 4.350 0.011 0.000 0.292 166 T C 0.978 175.704 174.700 0.044 0.000 1.113 166 T CA -0.523 61.595 62.100 0.029 0.000 1.008 166 T CB 1.833 70.714 68.868 0.023 0.000 1.259 166 T HN -0.247 nan 8.240 nan 0.000 0.520 167 V N 1.031 120.968 119.914 0.039 0.000 2.568 167 V HA -0.125 4.002 4.120 0.011 0.000 0.253 167 V C 2.397 178.527 176.094 0.061 0.000 1.072 167 V CA 2.161 64.493 62.300 0.054 0.000 1.084 167 V CB -0.969 30.873 31.823 0.032 0.000 0.676 167 V HN 0.863 nan 8.190 nan 0.000 0.469 168 E N -0.118 120.108 120.200 0.043 0.000 2.118 168 E HA -0.216 4.141 4.350 0.011 0.000 0.195 168 E C 1.945 178.572 176.600 0.044 0.000 0.992 168 E CA 1.616 58.039 56.400 0.038 0.000 0.804 168 E CB -0.441 29.274 29.700 0.024 0.000 0.741 168 E HN 0.713 nan 8.360 nan 0.000 0.458 169 D N 0.389 120.818 120.400 0.049 0.000 2.117 169 D HA -0.112 4.534 4.640 0.011 0.000 0.197 169 D C 2.071 178.403 176.300 0.053 0.000 0.987 169 D CA 2.127 56.154 54.000 0.045 0.000 0.829 169 D CB -0.293 40.540 40.800 0.055 0.000 0.961 169 D HN 0.310 nan 8.370 nan 0.000 0.460 170 T N -0.444 114.176 114.554 0.110 0.000 2.867 170 T HA -0.059 4.297 4.350 0.011 0.000 0.268 170 T C 1.855 176.680 174.700 0.209 0.000 1.057 170 T CA 0.675 62.884 62.100 0.182 0.000 1.136 170 T CB -0.055 69.013 68.868 0.334 0.000 0.874 170 T HN 0.085 nan 8.240 nan 0.000 0.466 171 K N 0.830 121.319 120.400 0.147 0.000 2.063 171 K HA 0.037 4.364 4.320 0.011 0.000 0.208 171 K C 2.250 178.908 176.600 0.097 0.000 1.048 171 K CA 1.478 57.842 56.287 0.128 0.000 0.928 171 K CB -0.409 32.134 32.500 0.073 0.000 0.713 171 K HN 0.385 nan 8.250 nan 0.000 0.442 172 I N 0.842 121.439 120.570 0.045 0.000 2.179 172 I HA -0.277 3.900 4.170 0.011 0.000 0.242 172 I C 2.338 178.436 176.117 -0.032 0.000 1.088 172 I CA 0.616 61.919 61.300 0.006 0.000 1.357 172 I CB -0.212 37.780 38.000 -0.014 0.000 1.051 172 I HN 0.114 nan 8.210 nan 0.000 0.409 173 L N 0.559 121.721 121.223 -0.103 0.000 2.043 173 L HA -0.200 4.147 4.340 0.011 0.000 0.212 173 L C 1.655 178.372 176.870 -0.254 0.000 1.075 173 L CA 2.123 56.797 54.840 -0.276 0.000 0.752 173 L CB -0.513 41.240 42.059 -0.509 0.000 0.891 173 L HN 0.125 nan 8.230 nan 0.000 0.432 174 F N -1.415 118.620 119.950 0.142 0.000 2.639 174 F HA 0.206 4.740 4.527 0.012 0.000 0.302 174 F C 0.607 176.450 175.800 0.071 0.000 1.097 174 F CA -0.870 57.207 58.000 0.127 0.000 1.294 174 F CB -0.120 38.945 39.000 0.108 0.000 1.027 174 F HN -0.055 nan 8.300 nan 0.000 0.550 175 D N 0.838 121.340 120.400 0.171 0.000 2.451 175 D HA 0.201 4.847 4.640 0.011 0.000 0.254 175 D C 1.253 177.609 176.300 0.093 0.000 1.204 175 D CA 1.639 55.701 54.000 0.103 0.000 0.896 175 D CB 0.767 41.599 40.800 0.053 0.000 1.136 175 D HN 0.496 nan 8.370 nan 0.000 0.499 176 G N 3.867 112.714 108.800 0.078 0.000 2.241 176 G HA2 -0.229 3.738 3.960 0.011 0.000 0.244 176 G HA3 -0.229 3.738 3.960 0.011 0.000 0.244 176 G C 0.443 175.386 174.900 0.071 0.000 0.998 176 G CA 0.124 45.260 45.100 0.059 0.000 0.621 176 G HN 0.538 nan 8.290 nan 0.000 0.519 177 I N 3.220 123.862 120.570 0.121 0.000 2.337 177 I HA 0.293 4.470 4.170 0.011 0.000 0.291 177 I C -1.934 174.217 176.117 0.057 0.000 1.046 177 I CA -3.023 58.347 61.300 0.117 0.000 1.324 177 I CB 0.597 38.739 38.000 0.238 0.000 1.409 177 I HN -0.027 nan 8.210 nan 0.000 0.494 178 P HA 0.206 nan 4.420 nan 0.000 0.279 178 P C 0.630 177.907 177.300 -0.039 0.000 1.318 178 P CA -0.231 62.860 63.100 -0.014 0.000 0.819 178 P CB 0.765 32.456 31.700 -0.014 0.000 0.927 179 L N 2.363 123.541 121.223 -0.076 0.000 2.465 179 L HA -0.128 4.219 4.340 0.011 0.000 0.224 179 L C 1.812 178.646 176.870 -0.061 0.000 1.145 179 L CA 1.049 55.825 54.840 -0.107 0.000 0.834 179 L CB -0.664 41.249 42.059 -0.243 0.000 0.944 179 L HN 0.231 nan 8.230 nan 0.000 0.451 180 E N 0.806 120.975 120.200 -0.051 0.000 2.106 180 E HA -0.156 4.201 4.350 0.011 0.000 0.192 180 E C 2.404 178.993 176.600 -0.019 0.000 0.984 180 E CA 1.519 57.901 56.400 -0.030 0.000 0.806 180 E CB -0.309 29.374 29.700 -0.029 0.000 0.750 180 E HN 0.435 nan 8.360 nan 0.000 0.458 181 K N 0.491 120.877 120.400 -0.024 0.000 2.308 181 K HA 0.249 4.576 4.320 0.011 0.000 0.197 181 K C 0.911 177.494 176.600 -0.029 0.000 1.049 181 K CA 0.583 56.856 56.287 -0.024 0.000 0.991 181 K CB -0.072 32.413 32.500 -0.025 0.000 0.836 181 K HN -0.031 nan 8.250 nan 0.000 0.500 182 M N 1.479 121.060 119.600 -0.032 0.000 2.157 182 M HA 0.321 4.808 4.480 0.011 0.000 0.354 182 M C -0.198 176.085 176.300 -0.028 0.000 1.170 182 M CA -0.700 54.573 55.300 -0.045 0.000 1.060 182 M CB 1.099 33.665 32.600 -0.056 0.000 1.615 182 M HN 0.173 nan 8.290 nan 0.000 0.460 183 S N 3.187 118.856 115.700 -0.051 0.000 2.475 183 S HA 0.531 5.008 4.470 0.011 0.000 0.281 183 S C -0.675 173.876 174.600 -0.082 0.000 1.198 183 S CA -0.590 57.578 58.200 -0.053 0.000 1.063 183 S CB 0.348 63.496 63.200 -0.086 0.000 0.972 183 S HN 0.484 nan 8.310 nan 0.000 0.486 184 V N 5.059 124.934 119.914 -0.064 0.000 2.357 184 V HA 0.464 4.591 4.120 0.011 0.000 0.284 184 V C 0.189 176.198 176.094 -0.142 0.000 1.018 184 V CA -0.681 61.561 62.300 -0.097 0.000 0.841 184 V CB 1.459 33.219 31.823 -0.106 0.000 0.991 184 V HN 0.868 nan 8.190 nan 0.000 0.437 185 S N 6.792 122.436 115.700 -0.094 0.000 2.429 185 S HA 0.707 5.184 4.470 0.011 0.000 0.302 185 S C -0.509 174.112 174.600 0.035 0.000 1.115 185 S CA -0.581 57.584 58.200 -0.057 0.000 1.095 185 S CB 0.311 63.505 63.200 -0.010 0.000 0.987 185 S HN 0.658 nan 8.310 nan 0.000 0.474 186 M N 4.111 123.741 119.600 0.050 0.000 2.125 186 M HA 0.260 4.747 4.480 0.011 0.000 0.321 186 M C -0.472 175.952 176.300 0.207 0.000 0.983 186 M CA -0.411 55.007 55.300 0.197 0.000 0.934 186 M CB 1.994 34.733 32.600 0.233 0.000 1.542 186 M HN 0.434 nan 8.290 nan 0.000 0.424 187 T N 4.285 119.001 114.554 0.271 0.000 3.176 187 T HA 0.483 4.840 4.350 0.011 0.000 0.301 187 T C -0.555 174.339 174.700 0.324 0.000 1.115 187 T CA -0.165 62.070 62.100 0.225 0.000 1.027 187 T CB -0.419 68.555 68.868 0.176 0.000 1.063 187 T HN 0.513 nan 8.240 nan 0.000 0.669 188 M N 2.952 122.645 119.600 0.154 0.000 2.421 188 M HA 0.480 4.967 4.480 0.011 0.000 0.287 188 M C -0.714 175.587 176.300 0.002 0.000 1.183 188 M CA -0.487 54.809 55.300 -0.007 0.000 0.916 188 M CB 1.686 34.117 32.600 -0.281 0.000 1.701 188 M HN 0.117 nan 8.290 nan 0.000 0.470 189 N N 1.657 120.364 118.700 0.013 0.000 3.013 189 N HA 0.209 4.955 4.740 0.011 0.000 0.250 189 N C 1.017 176.500 175.510 -0.044 0.000 0.997 189 N CA 0.781 53.819 53.050 -0.020 0.000 1.052 189 N CB 0.134 38.601 38.487 -0.032 0.000 1.663 189 N HN 0.792 nan 8.380 nan 0.000 0.641 190 G N 1.311 110.079 108.800 -0.053 0.000 2.464 190 G HA2 -0.035 3.931 3.960 0.011 0.000 0.214 190 G HA3 -0.035 3.931 3.960 0.011 0.000 0.214 190 G C 0.911 175.756 174.900 -0.092 0.000 1.218 190 G CA 1.050 46.093 45.100 -0.096 0.000 0.794 190 G HN 0.376 nan 8.290 nan 0.000 0.542 191 A N 0.276 123.010 122.820 -0.143 0.000 2.840 191 A HA 0.532 4.858 4.320 0.011 0.000 0.269 191 A C 1.745 179.240 177.584 -0.148 0.000 1.439 191 A CA 0.212 52.160 52.037 -0.148 0.000 1.083 191 A CB -0.178 18.696 19.000 -0.210 0.000 1.019 191 A HN 0.373 nan 8.150 nan 0.000 0.607 192 V N 0.073 119.931 119.914 -0.093 0.000 2.427 192 V HA -0.184 3.943 4.120 0.011 0.000 0.248 192 V C 2.079 178.127 176.094 -0.077 0.000 1.051 192 V CA 1.928 64.170 62.300 -0.096 0.000 1.048 192 V CB -0.421 31.368 31.823 -0.057 0.000 0.666 192 V HN 0.647 nan 8.190 nan 0.000 0.456 193 I N 1.343 121.891 120.570 -0.038 0.000 2.076 193 I HA -0.085 4.092 4.170 0.011 0.000 0.237 193 I C 0.280 176.357 176.117 -0.067 0.000 1.059 193 I CA 2.177 63.447 61.300 -0.049 0.000 1.317 193 I CB -2.824 35.169 38.000 -0.013 0.000 1.037 193 I HN 0.350 nan 8.210 nan 0.000 0.398 194 P HA -0.074 nan 4.420 nan 0.000 0.217 194 P C 2.172 179.432 177.300 -0.067 0.000 1.150 194 P CA 1.253 64.318 63.100 -0.059 0.000 0.832 194 P CB -0.007 31.660 31.700 -0.055 0.000 0.787 195 V N 0.228 120.072 119.914 -0.117 0.000 2.307 195 V HA -0.193 3.933 4.120 0.011 0.000 0.245 195 V C 2.661 178.743 176.094 -0.020 0.000 1.045 195 V CA 1.450 63.670 62.300 -0.134 0.000 1.024 195 V CB -1.318 30.284 31.823 -0.368 0.000 0.651 195 V HN 0.018 nan 8.190 nan 0.000 0.449 196 L N 0.925 122.123 121.223 -0.040 0.000 2.046 196 L HA -0.098 4.248 4.340 0.011 0.000 0.208 196 L C 2.451 179.337 176.870 0.026 0.000 1.077 196 L CA 2.357 57.202 54.840 0.009 0.000 0.747 196 L CB -1.089 40.939 42.059 -0.051 0.000 0.896 196 L HN 0.244 nan 8.230 nan 0.000 0.432 197 A N -0.470 122.325 122.820 -0.043 0.000 1.908 197 A HA -0.236 4.090 4.320 0.011 0.000 0.218 197 A C 2.091 179.669 177.584 -0.010 0.000 1.181 197 A CA 1.889 53.886 52.037 -0.067 0.000 0.627 197 A CB -0.785 18.159 19.000 -0.093 0.000 0.818 197 A HN 0.594 nan 8.150 nan 0.000 0.445 198 N N -0.925 117.796 118.700 0.034 0.000 2.104 198 N HA -0.156 4.591 4.740 0.011 0.000 0.190 198 N C 1.465 177.056 175.510 0.135 0.000 1.024 198 N CA 1.559 54.656 53.050 0.078 0.000 0.853 198 N CB -0.674 37.877 38.487 0.106 0.000 1.008 198 N HN 0.603 nan 8.380 nan 0.000 0.424 199 F N 1.682 121.654 119.950 0.037 0.000 2.069 199 F HA -0.232 4.301 4.527 0.010 0.000 0.298 199 F C 2.444 178.209 175.800 -0.058 0.000 1.113 199 F CA 1.136 59.151 58.000 0.024 0.000 1.214 199 F CB -0.260 38.746 39.000 0.010 0.000 0.978 199 F HN -0.162 nan 8.300 nan 0.000 0.474 200 I N -0.611 119.890 120.570 -0.115 0.000 2.163 200 I HA -0.258 3.919 4.170 0.011 0.000 0.243 200 I C 2.338 178.334 176.117 -0.202 0.000 1.085 200 I CA 1.189 62.361 61.300 -0.213 0.000 1.347 200 I CB -1.299 36.656 38.000 -0.076 0.000 1.044 200 I HN 0.244 nan 8.210 nan 0.000 0.408 201 V N 0.097 119.940 119.914 -0.119 0.000 2.427 201 V HA -0.236 3.890 4.120 0.011 0.000 0.248 201 V C 2.532 178.568 176.094 -0.097 0.000 1.051 201 V CA 2.419 64.665 62.300 -0.089 0.000 1.048 201 V CB -1.217 30.577 31.823 -0.048 0.000 0.666 201 V HN 0.586 nan 8.190 nan 0.000 0.456 202 T N 0.521 115.013 114.554 -0.103 0.000 2.746 202 T HA -0.130 4.227 4.350 0.011 0.000 0.267 202 T C 1.960 176.553 174.700 -0.178 0.000 1.039 202 T CA 1.621 63.672 62.100 -0.082 0.000 1.142 202 T CB -0.659 68.219 68.868 0.017 0.000 0.866 202 T HN 0.610 nan 8.240 nan 0.000 0.444 203 G N 1.374 109.960 108.800 -0.356 0.000 2.421 203 G HA2 -0.203 3.763 3.960 0.011 0.000 0.216 203 G HA3 -0.203 3.763 3.960 0.011 0.000 0.216 203 G C 1.486 176.264 174.900 -0.202 0.000 1.171 203 G CA 0.602 45.486 45.100 -0.360 0.000 0.775 203 G HN 0.493 nan 8.290 nan 0.000 0.543 204 E N 0.437 120.536 120.200 -0.169 0.000 2.110 204 E HA -0.113 4.243 4.350 0.011 0.000 0.193 204 E C 2.119 178.673 176.600 -0.077 0.000 0.988 204 E CA 0.872 57.208 56.400 -0.106 0.000 0.804 204 E CB -0.079 29.568 29.700 -0.088 0.000 0.745 204 E HN 0.561 nan 8.360 nan 0.000 0.458 205 E N 0.278 120.434 120.200 -0.073 0.000 2.489 205 E HA -0.058 4.298 4.350 0.011 0.000 0.193 205 E C 1.553 178.130 176.600 -0.039 0.000 1.057 205 E CA -0.036 56.337 56.400 -0.045 0.000 0.866 205 E CB 0.221 29.903 29.700 -0.030 0.000 0.916 205 E HN 0.179 nan 8.360 nan 0.000 0.500 206 Q N -0.671 119.095 119.800 -0.056 0.000 2.392 206 Q HA 0.042 4.388 4.340 0.011 0.000 0.203 206 Q C 0.835 176.809 176.000 -0.043 0.000 0.917 206 Q CA 0.529 56.305 55.803 -0.045 0.000 0.939 206 Q CB 0.639 29.340 28.738 -0.063 0.000 1.063 206 Q HN 0.357 nan 8.270 nan 0.000 0.516 207 G N 0.067 108.838 108.800 -0.049 0.000 2.131 207 G HA2 -0.203 3.764 3.960 0.011 0.000 0.223 207 G HA3 -0.203 3.764 3.960 0.011 0.000 0.223 207 G C -0.209 174.662 174.900 -0.049 0.000 0.990 207 G CA 0.153 45.228 45.100 -0.041 0.000 0.671 207 G HN 0.188 nan 8.290 nan 0.000 0.521 208 V N 1.620 121.492 119.914 -0.070 0.000 2.383 208 V HA 0.455 4.581 4.120 0.011 0.000 0.275 208 V C -1.501 174.550 176.094 -0.072 0.000 1.036 208 V CA -1.731 60.524 62.300 -0.075 0.000 0.889 208 V CB 1.388 33.147 31.823 -0.108 0.000 0.985 208 V HN 0.134 nan 8.190 nan 0.000 0.459 209 P HA 0.104 nan 4.420 nan 0.000 0.268 209 P C 0.744 178.018 177.300 -0.044 0.000 1.204 209 P CA -0.323 62.754 63.100 -0.039 0.000 0.768 209 P CB 0.486 32.173 31.700 -0.022 0.000 0.842 210 K N 1.886 122.261 120.400 -0.042 0.000 2.211 210 K HA -0.157 4.170 4.320 0.011 0.000 0.203 210 K C 1.620 178.221 176.600 0.001 0.000 1.050 210 K CA 1.631 57.894 56.287 -0.040 0.000 0.945 210 K CB -0.811 31.668 32.500 -0.036 0.000 0.732 210 K HN 0.358 nan 8.250 nan 0.000 0.451 211 E N 2.536 122.742 120.200 0.010 0.000 2.401 211 E HA -0.127 4.230 4.350 0.011 0.000 0.199 211 E C 1.497 178.114 176.600 0.029 0.000 1.023 211 E CA 1.303 57.716 56.400 0.022 0.000 0.859 211 E CB -0.491 29.216 29.700 0.011 0.000 0.780 211 E HN 0.600 nan 8.360 nan 0.000 0.523 212 K N -1.013 119.398 120.400 0.018 0.000 2.355 212 K HA 0.312 4.639 4.320 0.011 0.000 0.198 212 K C 0.254 176.881 176.600 0.046 0.000 1.039 212 K CA -0.365 55.936 56.287 0.022 0.000 1.075 212 K CB 0.359 32.859 32.500 -0.001 0.000 0.870 212 K HN 0.284 nan 8.250 nan 0.000 0.540 213 L N 2.204 123.464 121.223 0.063 0.000 2.456 213 L HA 0.050 4.397 4.340 0.011 0.000 0.272 213 L C 0.534 177.587 176.870 0.305 0.000 1.189 213 L CA 0.298 55.226 54.840 0.147 0.000 0.846 213 L CB 0.487 42.611 42.059 0.108 0.000 1.111 213 L HN 0.154 nan 8.230 nan 0.000 0.475 214 T N -0.399 114.365 114.554 0.350 0.000 2.900 214 T HA 0.884 5.240 4.350 0.011 0.000 0.303 214 T C -0.214 174.567 174.700 0.136 0.000 1.142 214 T CA -0.151 62.097 62.100 0.247 0.000 1.007 214 T CB 2.347 71.257 68.868 0.071 0.000 1.156 214 T HN 1.025 nan 8.240 nan 0.000 0.490 215 G N 0.779 109.403 108.800 -0.294 0.000 2.302 215 G HA2 0.451 4.418 3.960 0.011 0.000 0.264 215 G HA3 0.451 4.418 3.960 0.011 0.000 0.264 215 G C -1.140 173.135 174.900 -1.042 0.000 1.335 215 G CA -0.207 44.596 45.100 -0.496 0.000 0.982 215 G HN 1.144 nan 8.290 nan 0.000 0.473 216 T N -0.187 113.911 114.554 -0.759 0.000 2.900 216 T HA 0.698 5.055 4.350 0.011 0.000 0.303 216 T C -0.971 173.578 174.700 -0.251 0.000 1.142 216 T CA -0.275 61.462 62.100 -0.605 0.000 1.007 216 T CB 2.204 70.874 68.868 -0.330 0.000 1.156 216 T HN 1.010 nan 8.240 nan 0.000 0.490 217 I N 1.519 122.044 120.570 -0.075 0.000 2.533 217 I HA 0.329 4.506 4.170 0.011 0.000 0.290 217 I C 1.265 177.380 176.117 -0.003 0.000 1.056 217 I CA -0.682 60.644 61.300 0.043 0.000 1.057 217 I CB 2.229 40.324 38.000 0.158 0.000 1.240 217 I HN 0.768 nan 8.210 nan 0.000 0.423 218 Q N 4.390 124.186 119.800 -0.006 0.000 2.002 218 Q HA -0.225 4.121 4.340 0.011 0.000 0.204 218 Q C 0.758 176.729 176.000 -0.050 0.000 0.988 218 Q CA 2.080 57.870 55.803 -0.022 0.000 0.843 218 Q CB 0.039 28.793 28.738 0.026 0.000 0.908 218 Q HN 0.773 nan 8.270 nan 0.000 0.420 219 N N 0.934 119.610 118.700 -0.039 0.000 2.721 219 N HA -0.192 4.554 4.740 0.011 0.000 0.249 219 N C -1.829 173.595 175.510 -0.144 0.000 1.072 219 N CA 1.099 54.105 53.050 -0.074 0.000 0.710 219 N CB -1.084 37.367 38.487 -0.059 0.000 0.993 219 N HN 0.392 nan 8.380 nan 0.000 0.547 220 D N -0.009 120.340 120.400 -0.084 0.000 2.485 220 D HA 0.234 4.881 4.640 0.011 0.000 0.256 220 D C 0.999 177.349 176.300 0.084 0.000 1.141 220 D CA -0.570 53.416 54.000 -0.023 0.000 0.942 220 D CB -0.109 40.706 40.800 0.024 0.000 1.003 220 D HN 0.276 nan 8.370 nan 0.000 0.507 221 I N 2.703 123.356 120.570 0.138 0.000 2.500 221 I HA -0.022 4.154 4.170 0.011 0.000 0.252 221 I C 1.957 178.100 176.117 0.042 0.000 1.142 221 I CA 0.752 62.068 61.300 0.028 0.000 1.451 221 I CB 0.101 38.140 38.000 0.064 0.000 1.093 221 I HN 0.412 nan 8.210 nan 0.000 0.430 222 L N 0.535 121.913 121.223 0.258 0.000 2.043 222 L HA -0.271 4.076 4.340 0.011 0.000 0.212 222 L C 2.388 179.349 176.870 0.151 0.000 1.075 222 L CA 2.025 57.003 54.840 0.231 0.000 0.752 222 L CB -0.869 41.239 42.059 0.082 0.000 0.891 222 L HN 0.298 nan 8.230 nan 0.000 0.432 223 K N -0.717 119.753 120.400 0.117 0.000 2.283 223 K HA -0.123 4.204 4.320 0.011 0.000 0.202 223 K C 1.656 178.263 176.600 0.012 0.000 1.048 223 K CA 0.959 57.294 56.287 0.080 0.000 0.948 223 K CB -0.262 32.301 32.500 0.106 0.000 0.742 223 K HN 0.166 nan 8.250 nan 0.000 0.458 224 E N 0.412 120.561 120.200 -0.085 0.000 2.152 224 E HA -0.086 4.270 4.350 0.011 0.000 0.192 224 E C 1.502 178.093 176.600 -0.015 0.000 0.983 224 E CA 0.926 57.236 56.400 -0.150 0.000 0.818 224 E CB -0.243 29.281 29.700 -0.294 0.000 0.758 224 E HN 0.423 nan 8.360 nan 0.000 0.467 225 F N 0.048 120.078 119.950 0.133 0.000 2.456 225 F HA 0.080 4.613 4.527 0.010 0.000 0.298 225 F C 2.282 178.113 175.800 0.051 0.000 1.104 225 F CA 0.632 58.648 58.000 0.027 0.000 1.435 225 F CB -0.294 38.581 39.000 -0.209 0.000 1.078 225 F HN -0.043 nan 8.300 nan 0.000 0.546 226 M N -0.885 118.823 119.600 0.179 0.000 2.216 226 M HA -0.032 4.454 4.480 0.011 0.000 0.264 226 M C 1.885 178.243 176.300 0.097 0.000 1.080 226 M CA 1.638 57.002 55.300 0.106 0.000 1.153 226 M CB -0.020 32.618 32.600 0.063 0.000 1.356 226 M HN 0.113 nan 8.290 nan 0.000 0.432 227 V N -4.379 115.581 119.914 0.076 0.000 3.442 227 V HA 0.224 4.350 4.120 0.011 0.000 0.205 227 V C 1.806 177.891 176.094 -0.014 0.000 1.320 227 V CA -0.228 62.097 62.300 0.041 0.000 1.306 227 V CB -0.363 31.489 31.823 0.049 0.000 1.267 227 V HN 0.204 nan 8.190 nan 0.000 0.538 228 R N 0.562 121.019 120.500 -0.072 0.000 2.193 228 R HA 0.061 4.408 4.340 0.011 0.000 0.213 228 R C 0.171 176.331 176.300 -0.234 0.000 1.055 228 R CA 0.884 56.866 56.100 -0.198 0.000 0.995 228 R CB -0.115 30.031 30.300 -0.256 0.000 0.893 228 R HN 0.787 nan 8.270 nan 0.000 0.459 229 N N 0.554 119.157 118.700 -0.161 0.000 2.783 229 N HA -0.127 4.620 4.740 0.011 0.000 0.247 229 N C -0.110 175.137 175.510 -0.438 0.000 1.089 229 N CA 1.431 54.320 53.050 -0.269 0.000 0.690 229 N CB -1.599 36.816 38.487 -0.120 0.000 0.991 229 N HN 0.395 nan 8.380 nan 0.000 0.552 230 T N -3.021 111.274 114.554 -0.432 0.000 3.269 230 T HA 0.256 4.613 4.350 0.011 0.000 0.269 230 T C 0.647 175.115 174.700 -0.386 0.000 0.993 230 T CA -0.691 61.173 62.100 -0.393 0.000 0.909 230 T CB -0.372 68.322 68.868 -0.290 0.000 1.115 230 T HN 0.297 nan 8.240 nan 0.000 0.543 231 Y N -0.344 119.798 120.300 -0.263 0.000 2.296 231 Y HA 0.677 5.234 4.550 0.011 0.000 0.343 231 Y C 0.909 176.643 175.900 -0.277 0.000 1.292 231 Y CA -1.822 56.062 58.100 -0.359 0.000 1.490 231 Y CB 0.309 38.386 38.460 -0.637 0.000 1.359 231 Y HN 0.002 nan 8.280 nan 0.000 0.599 232 I N -1.734 118.810 120.570 -0.043 0.000 3.746 232 I HA 0.184 4.361 4.170 0.011 0.000 0.262 232 I C -0.268 175.728 176.117 -0.201 0.000 1.153 232 I CA -0.323 60.771 61.300 -0.343 0.000 1.395 232 I CB 0.263 37.702 38.000 -0.935 0.000 1.589 232 I HN 0.379 nan 8.210 nan 0.000 0.441 233 F N 1.902 121.988 119.950 0.226 0.000 2.380 233 F HA 0.449 4.983 4.527 0.012 0.000 0.321 233 F C -2.254 173.684 175.800 0.230 0.000 1.103 233 F CA -2.573 55.554 58.000 0.213 0.000 1.067 233 F CB -0.480 38.611 39.000 0.152 0.000 1.265 233 F HN -0.305 nan 8.300 nan 0.000 0.517 234 P HA 0.077 nan 4.420 nan 0.000 0.270 234 P C -2.144 175.078 177.300 -0.130 0.000 1.223 234 P CA -0.912 62.227 63.100 0.065 0.000 0.785 234 P CB 0.167 31.912 31.700 0.075 0.000 0.923 235 P HA -0.247 nan 4.420 nan 0.000 0.216 235 P C 1.576 178.754 177.300 -0.203 0.000 1.153 235 P CA 2.376 65.160 63.100 -0.527 0.000 0.858 235 P CB -0.430 30.824 31.700 -0.743 0.000 0.789 236 E N 0.049 120.126 120.200 -0.205 0.000 2.015 236 E HA -0.160 4.197 4.350 0.011 0.000 0.191 236 E C -0.060 176.393 176.600 -0.245 0.000 0.991 236 E CA 2.077 58.372 56.400 -0.176 0.000 0.802 236 E CB -2.851 26.760 29.700 -0.148 0.000 0.759 236 E HN 0.346 nan 8.360 nan 0.000 0.447 237 P HA -0.148 nan 4.420 nan 0.000 0.216 237 P C 1.712 178.699 177.300 -0.521 0.000 1.153 237 P CA 1.958 64.570 63.100 -0.812 0.000 0.858 237 P CB -0.179 30.668 31.700 -1.422 0.000 0.789 238 S N -0.732 114.851 115.700 -0.195 0.000 2.383 238 S HA -0.111 4.365 4.470 0.011 0.000 0.229 238 S C 1.911 176.507 174.600 -0.007 0.000 1.030 238 S CA 1.277 59.493 58.200 0.027 0.000 1.002 238 S CB -0.677 62.684 63.200 0.268 0.000 0.829 238 S HN 0.084 nan 8.310 nan 0.000 0.467 239 M N 1.011 120.593 119.600 -0.030 0.000 2.254 239 M HA 0.068 4.555 4.480 0.011 0.000 0.265 239 M C 2.066 178.319 176.300 -0.078 0.000 1.066 239 M CA 1.043 56.334 55.300 -0.016 0.000 1.123 239 M CB -0.999 31.599 32.600 -0.004 0.000 1.388 239 M HN 0.127 nan 8.290 nan 0.000 0.425 240 K N 1.109 121.426 120.400 -0.139 0.000 2.097 240 K HA -0.037 4.290 4.320 0.011 0.000 0.206 240 K C 1.864 178.394 176.600 -0.117 0.000 1.049 240 K CA 1.076 57.285 56.287 -0.130 0.000 0.933 240 K CB -0.404 31.991 32.500 -0.175 0.000 0.717 240 K HN 0.337 nan 8.250 nan 0.000 0.442 241 I N 0.712 121.199 120.570 -0.138 0.000 2.179 241 I HA -0.305 3.871 4.170 0.011 0.000 0.242 241 I C 2.304 178.334 176.117 -0.146 0.000 1.088 241 I CA 1.102 62.342 61.300 -0.099 0.000 1.357 241 I CB -0.185 37.780 38.000 -0.059 0.000 1.051 241 I HN 0.092 nan 8.210 nan 0.000 0.409 242 I N 0.596 121.050 120.570 -0.194 0.000 2.226 242 I HA -0.287 3.890 4.170 0.011 0.000 0.245 242 I C 2.823 178.565 176.117 -0.626 0.000 1.100 242 I CA 1.252 62.304 61.300 -0.413 0.000 1.374 242 I CB -0.497 37.303 38.000 -0.334 0.000 1.057 242 I HN 0.192 nan 8.210 nan 0.000 0.413 243 A N 0.740 123.368 122.820 -0.319 0.000 1.873 243 A HA -0.288 4.039 4.320 0.011 0.000 0.218 243 A C 1.937 179.478 177.584 -0.072 0.000 1.193 243 A CA 2.402 54.348 52.037 -0.153 0.000 0.629 243 A CB -0.750 18.231 19.000 -0.032 0.000 0.826 243 A HN 0.343 nan 8.150 nan 0.000 0.447 244 D N -0.219 120.144 120.400 -0.062 0.000 2.144 244 D HA -0.109 4.538 4.640 0.011 0.000 0.199 244 D C 1.761 178.090 176.300 0.050 0.000 0.984 244 D CA 1.074 55.081 54.000 0.012 0.000 0.834 244 D CB -0.324 40.474 40.800 -0.003 0.000 0.955 244 D HN 0.545 nan 8.370 nan 0.000 0.465 245 I N -0.207 120.335 120.570 -0.047 0.000 2.286 245 I HA -0.238 3.939 4.170 0.011 0.000 0.248 245 I C 2.063 178.314 176.117 0.223 0.000 1.115 245 I CA 0.761 62.078 61.300 0.028 0.000 1.392 245 I CB -0.234 37.720 38.000 -0.077 0.000 1.065 245 I HN -0.011 nan 8.210 nan 0.000 0.418 246 F N 1.141 121.179 119.950 0.148 0.000 2.075 246 F HA -0.259 4.275 4.527 0.012 0.000 0.297 246 F C 3.138 179.029 175.800 0.150 0.000 1.113 246 F CA 1.042 59.142 58.000 0.166 0.000 1.218 246 F CB -0.881 38.201 39.000 0.137 0.000 0.984 246 F HN 0.128 nan 8.300 nan 0.000 0.472 247 E N 0.398 120.787 120.200 0.316 0.000 2.070 247 E HA -0.324 4.033 4.350 0.011 0.000 0.197 247 E C 1.678 178.403 176.600 0.209 0.000 1.004 247 E CA 1.845 58.371 56.400 0.209 0.000 0.805 247 E CB -1.731 28.066 29.700 0.161 0.000 0.744 247 E HN 0.637 nan 8.360 nan 0.000 0.451 248 Y N 1.965 122.355 120.300 0.149 0.000 2.114 248 Y HA -0.210 4.348 4.550 0.012 0.000 0.284 248 Y C 3.033 179.053 175.900 0.201 0.000 1.143 248 Y CA 3.444 61.659 58.100 0.192 0.000 1.135 248 Y CB -0.415 38.129 38.460 0.140 0.000 0.980 248 Y HN 0.379 nan 8.280 nan 0.000 0.499 249 T N -1.456 113.308 114.554 0.349 0.000 2.788 249 T HA -0.174 4.183 4.350 0.011 0.000 0.268 249 T C 2.075 176.856 174.700 0.135 0.000 1.044 249 T CA 1.162 63.409 62.100 0.245 0.000 1.139 249 T CB -1.082 67.985 68.868 0.330 0.000 0.867 249 T HN 0.384 nan 8.240 nan 0.000 0.454 250 A N 1.973 124.877 122.820 0.141 0.000 1.940 250 A HA -0.098 4.228 4.320 0.011 0.000 0.219 250 A C 2.397 179.963 177.584 -0.030 0.000 1.176 250 A CA 2.007 54.088 52.037 0.074 0.000 0.631 250 A CB -0.692 18.364 19.000 0.093 0.000 0.814 250 A HN 0.606 nan 8.150 nan 0.000 0.446 251 K N -1.875 118.446 120.400 -0.131 0.000 2.021 251 K HA -0.093 4.234 4.320 0.011 0.000 0.205 251 K C 1.760 178.104 176.600 -0.427 0.000 1.047 251 K CA 1.230 57.318 56.287 -0.332 0.000 0.943 251 K CB -0.157 32.030 32.500 -0.522 0.000 0.725 251 K HN 0.648 nan 8.250 nan 0.000 0.439 252 H N -1.316 117.594 119.070 -0.267 0.000 2.654 252 H HA 0.198 4.763 4.556 0.014 0.000 0.264 252 H C 0.219 175.462 175.328 -0.142 0.000 0.954 252 H CA 0.504 56.386 56.048 -0.278 0.000 1.199 252 H CB 0.714 30.136 29.762 -0.567 0.000 1.446 252 H HN 0.146 nan 8.280 nan 0.000 0.516 253 M N 1.563 121.178 119.600 0.025 0.000 3.053 253 M HA 0.181 4.668 4.480 0.011 0.000 0.293 253 M C -2.105 174.277 176.300 0.136 0.000 1.470 253 M CA -1.312 54.042 55.300 0.090 0.000 0.582 253 M CB 2.263 34.917 32.600 0.090 0.000 1.435 253 M HN -0.135 nan 8.290 nan 0.000 0.451 254 P HA -0.143 nan 4.420 nan 0.000 0.220 254 P C 1.294 178.645 177.300 0.084 0.000 1.148 254 P CA 1.502 64.643 63.100 0.069 0.000 0.803 254 P CB 0.044 31.760 31.700 0.027 0.000 0.782 255 K N -0.568 119.892 120.400 0.100 0.000 2.365 255 K HA -0.034 4.293 4.320 0.011 0.000 0.199 255 K C 0.842 177.504 176.600 0.103 0.000 1.045 255 K CA 0.309 56.645 56.287 0.081 0.000 0.962 255 K CB -1.320 31.223 32.500 0.071 0.000 0.759 255 K HN 0.154 nan 8.250 nan 0.000 0.469 256 F N 2.005 121.970 119.950 0.026 0.000 2.418 256 F HA 0.296 4.828 4.527 0.010 0.000 0.341 256 F C -0.101 175.706 175.800 0.011 0.000 1.120 256 F CA -0.978 57.041 58.000 0.033 0.000 1.232 256 F CB 0.961 40.011 39.000 0.083 0.000 1.175 256 F HN 0.121 nan 8.300 nan 0.000 0.569 257 N N 3.433 121.841 118.700 -0.488 0.000 2.457 257 N HA 0.120 4.866 4.740 0.011 0.000 0.250 257 N C -0.141 175.299 175.510 -0.118 0.000 0.982 257 N CA -0.136 52.748 53.050 -0.277 0.000 0.941 257 N CB 1.645 39.926 38.487 -0.344 0.000 1.120 257 N HN 0.513 nan 8.380 nan 0.000 0.505 258 S N 1.274 117.052 115.700 0.129 0.000 2.593 258 S HA 0.247 4.724 4.470 0.011 0.000 0.217 258 S C 0.662 175.390 174.600 0.213 0.000 0.966 258 S CA -0.068 58.322 58.200 0.317 0.000 0.914 258 S CB 0.068 63.588 63.200 0.532 0.000 0.776 258 S HN 0.624 nan 8.310 nan 0.000 0.523 259 I N 0.070 120.661 120.570 0.036 0.000 2.785 259 I HA 0.346 4.523 4.170 0.011 0.000 0.293 259 I C -1.721 174.285 176.117 -0.185 0.000 1.446 259 I CA -0.258 61.003 61.300 -0.065 0.000 1.028 259 I CB 2.035 40.022 38.000 -0.023 0.000 1.349 259 I HN -0.088 nan 8.210 nan 0.000 0.438 260 S N 7.601 123.185 115.700 -0.194 0.000 2.779 260 S HA 0.596 5.073 4.470 0.011 0.000 0.293 260 S C -0.929 173.553 174.600 -0.196 0.000 1.150 260 S CA -0.557 57.515 58.200 -0.213 0.000 1.057 260 S CB 0.666 63.781 63.200 -0.141 0.000 1.021 260 S HN 0.448 nan 8.310 nan 0.000 0.485 261 I N 4.529 124.867 120.570 -0.386 0.000 2.322 261 I HA 0.257 4.434 4.170 0.011 0.000 0.292 261 I C 0.138 176.155 176.117 -0.167 0.000 1.060 261 I CA -0.004 61.106 61.300 -0.317 0.000 1.309 261 I CB 1.152 38.743 38.000 -0.681 0.000 1.415 261 I HN 0.504 nan 8.210 nan 0.000 0.492 262 S N 4.151 119.883 115.700 0.054 0.000 2.451 262 S HA 0.459 4.936 4.470 0.011 0.000 0.301 262 S C 0.900 175.571 174.600 0.118 0.000 1.116 262 S CA -0.694 57.584 58.200 0.131 0.000 1.093 262 S CB 1.816 65.243 63.200 0.380 0.000 1.017 262 S HN 0.832 nan 8.310 nan 0.000 0.482 263 G N 0.368 109.194 108.800 0.042 0.000 2.939 263 G HA2 -0.000 3.966 3.960 0.011 0.000 0.216 263 G HA3 -0.000 3.966 3.960 0.011 0.000 0.216 263 G C 0.871 175.775 174.900 0.007 0.000 1.125 263 G CA -0.198 44.995 45.100 0.155 0.000 0.766 263 G HN 0.705 nan 8.290 nan 0.000 0.541 264 Y N 2.015 122.049 120.300 -0.444 0.000 2.102 264 Y HA -0.326 4.230 4.550 0.011 0.000 0.280 264 Y C 2.643 178.282 175.900 -0.435 0.000 1.178 264 Y CA 2.564 60.255 58.100 -0.682 0.000 1.146 264 Y CB -0.208 37.251 38.460 -1.668 0.000 0.968 264 Y HN 0.412 nan 8.280 nan 0.000 0.504 265 H N -1.243 117.739 119.070 -0.148 0.000 2.428 265 H HA -0.069 4.493 4.556 0.011 0.000 0.296 265 H C 2.187 177.439 175.328 -0.126 0.000 1.062 265 H CA 1.605 57.589 56.048 -0.107 0.000 1.350 265 H CB -0.374 29.420 29.762 0.053 0.000 1.403 265 H HN 0.375 nan 8.280 nan 0.000 0.533 266 M N 0.265 119.891 119.600 0.043 0.000 2.080 266 M HA -0.248 4.239 4.480 0.011 0.000 0.260 266 M C 2.429 178.681 176.300 -0.079 0.000 1.068 266 M CA 1.821 57.138 55.300 0.029 0.000 1.109 266 M CB -0.262 32.402 32.600 0.107 0.000 1.342 266 M HN 0.332 nan 8.290 nan 0.000 0.405 267 Q N 0.516 120.223 119.800 -0.155 0.000 2.084 267 Q HA -0.197 4.150 4.340 0.011 0.000 0.202 267 Q C 1.787 177.610 176.000 -0.296 0.000 0.978 267 Q CA 1.308 56.982 55.803 -0.214 0.000 0.844 267 Q CB 0.091 28.701 28.738 -0.213 0.000 0.898 267 Q HN 0.369 nan 8.270 nan 0.000 0.426 268 E N 0.070 120.048 120.200 -0.371 0.000 2.209 268 E HA -0.157 4.199 4.350 0.011 0.000 0.196 268 E C 1.532 177.983 176.600 -0.248 0.000 0.993 268 E CA 1.130 57.348 56.400 -0.305 0.000 0.819 268 E CB -0.147 29.367 29.700 -0.309 0.000 0.745 268 E HN 0.481 nan 8.360 nan 0.000 0.477 269 A N -0.414 122.298 122.820 -0.181 0.000 2.238 269 A HA 0.327 4.654 4.320 0.011 0.000 0.208 269 A C 1.619 179.069 177.584 -0.224 0.000 1.177 269 A CA 1.071 53.020 52.037 -0.146 0.000 0.804 269 A CB 0.077 19.049 19.000 -0.047 0.000 0.823 269 A HN 0.278 nan 8.150 nan 0.000 0.482 270 G N -2.241 106.373 108.800 -0.310 0.000 2.192 270 G HA2 0.179 4.145 3.960 0.011 0.000 0.193 270 G HA3 0.179 4.145 3.960 0.011 0.000 0.193 270 G C 0.391 175.173 174.900 -0.197 0.000 0.999 270 G CA -0.012 44.889 45.100 -0.331 0.000 0.659 270 G HN 1.475 nan 8.290 nan 0.000 0.503 271 A N 0.878 123.616 122.820 -0.136 0.000 2.511 271 A HA 0.508 4.835 4.320 0.011 0.000 0.242 271 A C 0.776 178.286 177.584 -0.122 0.000 1.069 271 A CA 0.941 52.923 52.037 -0.093 0.000 0.763 271 A CB 0.030 19.005 19.000 -0.042 0.000 1.001 271 A HN 1.020 nan 8.150 nan 0.000 0.498 272 D N 1.631 121.959 120.400 -0.119 0.000 2.447 272 D HA 0.457 5.104 4.640 0.011 0.000 0.265 272 D C 1.163 177.380 176.300 -0.138 0.000 1.250 272 D CA 0.100 54.027 54.000 -0.121 0.000 1.046 272 D CB 0.476 41.211 40.800 -0.108 0.000 1.095 272 D HN 0.418 nan 8.370 nan 0.000 0.555 273 A N -0.241 122.492 122.820 -0.144 0.000 1.940 273 A HA -0.131 4.196 4.320 0.011 0.000 0.219 273 A C 2.143 179.614 177.584 -0.189 0.000 1.176 273 A CA 1.260 53.192 52.037 -0.175 0.000 0.631 273 A CB -0.824 18.064 19.000 -0.187 0.000 0.814 273 A HN 0.564 nan 8.150 nan 0.000 0.446 274 I N -0.243 120.218 120.570 -0.180 0.000 2.233 274 I HA -0.143 4.034 4.170 0.011 0.000 0.243 274 I C 2.476 178.442 176.117 -0.252 0.000 1.093 274 I CA 0.870 62.057 61.300 -0.188 0.000 1.380 274 I CB -1.562 36.341 38.000 -0.161 0.000 1.067 274 I HN 0.268 nan 8.210 nan 0.000 0.413 275 L N 0.382 121.422 121.223 -0.305 0.000 2.017 275 L HA -0.223 4.123 4.340 0.011 0.000 0.208 275 L C 2.615 179.248 176.870 -0.396 0.000 1.073 275 L CA 1.541 56.052 54.840 -0.548 0.000 0.745 275 L CB -0.570 41.244 42.059 -0.409 0.000 0.894 275 L HN 0.321 nan 8.230 nan 0.000 0.432 276 E N 0.376 120.482 120.200 -0.157 0.000 2.038 276 E HA -0.293 4.064 4.350 0.011 0.000 0.195 276 E C 2.220 178.890 176.600 0.117 0.000 1.000 276 E CA 1.577 57.987 56.400 0.017 0.000 0.803 276 E CB -0.058 29.651 29.700 0.015 0.000 0.750 276 E HN 0.265 nan 8.360 nan 0.000 0.448 277 L N 0.781 121.992 121.223 -0.019 0.000 2.017 277 L HA -0.085 4.262 4.340 0.011 0.000 0.208 277 L C 2.277 179.211 176.870 0.107 0.000 1.073 277 L CA 2.324 57.172 54.840 0.014 0.000 0.745 277 L CB -0.832 41.123 42.059 -0.173 0.000 0.894 277 L HN 0.177 nan 8.230 nan 0.000 0.432 278 A N -1.325 121.483 122.820 -0.019 0.000 1.877 278 A HA -0.219 4.107 4.320 0.011 0.000 0.216 278 A C 2.134 179.847 177.584 0.214 0.000 1.186 278 A CA 1.834 53.889 52.037 0.030 0.000 0.620 278 A CB -1.073 17.864 19.000 -0.106 0.000 0.822 278 A HN 0.547 nan 8.150 nan 0.000 0.443 279 Y N 0.813 121.186 120.300 0.121 0.000 2.314 279 Y HA -0.075 4.482 4.550 0.011 0.000 0.293 279 Y C 2.887 178.889 175.900 0.171 0.000 1.129 279 Y CA 1.042 59.216 58.100 0.123 0.000 1.201 279 Y CB -1.498 37.019 38.460 0.095 0.000 0.999 279 Y HN 0.287 nan 8.280 nan 0.000 0.541 280 T N 0.604 115.387 114.554 0.382 0.000 2.701 280 T HA -0.103 4.254 4.350 0.011 0.000 0.263 280 T C 2.209 177.147 174.700 0.396 0.000 1.040 280 T CA 1.092 63.409 62.100 0.363 0.000 1.147 280 T CB -0.553 68.569 68.868 0.423 0.000 0.865 280 T HN 0.190 nan 8.240 nan 0.000 0.426 281 L N 0.838 122.319 121.223 0.431 0.000 2.131 281 L HA -0.079 4.268 4.340 0.011 0.000 0.210 281 L C 3.037 180.205 176.870 0.497 0.000 1.092 281 L CA 1.187 56.334 54.840 0.511 0.000 0.759 281 L CB -0.809 41.532 42.059 0.469 0.000 0.903 281 L HN 0.270 nan 8.230 nan 0.000 0.435 282 A N -0.038 122.994 122.820 0.354 0.000 1.898 282 A HA -0.204 4.123 4.320 0.011 0.000 0.216 282 A C 1.899 179.602 177.584 0.198 0.000 1.181 282 A CA 1.721 53.919 52.037 0.267 0.000 0.620 282 A CB -0.413 18.725 19.000 0.230 0.000 0.819 282 A HN 0.318 nan 8.150 nan 0.000 0.442 283 D N -0.046 120.451 120.400 0.161 0.000 2.123 283 D HA -0.111 4.536 4.640 0.011 0.000 0.196 283 D C 2.080 178.400 176.300 0.032 0.000 0.992 283 D CA 1.545 55.528 54.000 -0.028 0.000 0.833 283 D CB -0.827 39.995 40.800 0.036 0.000 0.954 283 D HN 0.428 nan 8.370 nan 0.000 0.455 284 G N 0.767 109.770 108.800 0.338 0.000 2.469 284 G HA2 -0.227 3.740 3.960 0.011 0.000 0.220 284 G HA3 -0.227 3.740 3.960 0.011 0.000 0.220 284 G C 1.769 177.061 174.900 0.652 0.000 1.136 284 G CA 0.481 45.918 45.100 0.562 0.000 0.759 284 G HN 0.273 nan 8.290 nan 0.000 0.562 285 L N -0.187 121.349 121.223 0.521 0.000 2.072 285 L HA -0.002 4.344 4.340 0.011 0.000 0.205 285 L C 2.928 179.974 176.870 0.294 0.000 1.079 285 L CA 0.868 55.962 54.840 0.423 0.000 0.752 285 L CB -0.386 41.875 42.059 0.338 0.000 0.906 285 L HN 0.137 nan 8.230 nan 0.000 0.436 286 E N -0.061 120.217 120.200 0.129 0.000 2.051 286 E HA -0.220 4.137 4.350 0.011 0.000 0.192 286 E C 2.213 178.875 176.600 0.104 0.000 0.991 286 E CA 1.542 57.958 56.400 0.027 0.000 0.799 286 E CB -0.268 29.336 29.700 -0.161 0.000 0.748 286 E HN 0.456 nan 8.360 nan 0.000 0.449 287 Y N 1.262 121.705 120.300 0.239 0.000 2.224 287 Y HA -0.123 4.433 4.550 0.010 0.000 0.289 287 Y C 2.715 178.704 175.900 0.148 0.000 1.146 287 Y CA 0.900 59.180 58.100 0.300 0.000 1.182 287 Y CB -0.694 38.002 38.460 0.394 0.000 0.983 287 Y HN -0.052 nan 8.280 nan 0.000 0.524 288 S N -0.383 115.477 115.700 0.266 0.000 2.383 288 S HA -0.141 4.335 4.470 0.011 0.000 0.227 288 S C 2.057 176.514 174.600 -0.239 0.000 1.026 288 S CA 0.949 59.069 58.200 -0.132 0.000 0.981 288 S CB -0.177 62.880 63.200 -0.239 0.000 0.818 288 S HN 0.423 nan 8.310 nan 0.000 0.472 289 R N 0.628 121.174 120.500 0.076 0.000 2.096 289 R HA -0.035 4.311 4.340 0.011 0.000 0.235 289 R C 2.306 178.628 176.300 0.036 0.000 1.127 289 R CA 1.584 57.760 56.100 0.126 0.000 0.968 289 R CB -0.671 29.734 30.300 0.175 0.000 0.861 289 R HN 0.327 nan 8.270 nan 0.000 0.440 290 T N -0.224 114.372 114.554 0.071 0.000 2.821 290 T HA -0.079 4.278 4.350 0.011 0.000 0.267 290 T C 1.866 176.615 174.700 0.082 0.000 1.046 290 T CA 1.323 63.502 62.100 0.132 0.000 1.139 290 T CB -0.352 68.686 68.868 0.283 0.000 0.871 290 T HN 0.504 nan 8.240 nan 0.000 0.454 291 G N 1.670 110.285 108.800 -0.308 0.000 2.446 291 G HA2 -0.143 3.823 3.960 0.011 0.000 0.217 291 G HA3 -0.143 3.823 3.960 0.011 0.000 0.217 291 G C 1.480 176.171 174.900 -0.349 0.000 1.168 291 G CA 0.462 45.086 45.100 -0.793 0.000 0.771 291 G HN 0.419 nan 8.290 nan 0.000 0.551 292 L N -0.136 120.936 121.223 -0.252 0.000 2.017 292 L HA -0.138 4.209 4.340 0.011 0.000 0.208 292 L C 2.992 179.851 176.870 -0.018 0.000 1.073 292 L CA 1.559 56.348 54.840 -0.084 0.000 0.745 292 L CB -0.614 41.448 42.059 0.005 0.000 0.894 292 L HN 0.338 nan 8.230 nan 0.000 0.432 293 Q N 0.290 120.092 119.800 0.003 0.000 2.135 293 Q HA -0.211 4.135 4.340 0.011 0.000 0.204 293 Q C 2.008 178.032 176.000 0.040 0.000 0.981 293 Q CA 1.721 57.541 55.803 0.028 0.000 0.856 293 Q CB -0.014 28.746 28.738 0.037 0.000 0.902 293 Q HN 0.524 nan 8.270 nan 0.000 0.425 294 A N -0.490 122.366 122.820 0.061 0.000 2.239 294 A HA 0.167 4.494 4.320 0.011 0.000 0.209 294 A C 1.390 179.014 177.584 0.066 0.000 1.171 294 A CA 1.047 53.142 52.037 0.096 0.000 0.768 294 A CB -0.505 18.622 19.000 0.210 0.000 0.790 294 A HN 0.620 nan 8.150 nan 0.000 0.478 295 G N -1.726 107.094 108.800 0.033 0.000 2.157 295 G HA2 -0.197 3.769 3.960 0.011 0.000 0.239 295 G HA3 -0.197 3.769 3.960 0.011 0.000 0.239 295 G C 0.043 174.954 174.900 0.018 0.000 0.982 295 G CA 0.237 45.352 45.100 0.026 0.000 0.650 295 G HN 0.445 nan 8.290 nan 0.000 0.527 296 L N 1.445 122.668 121.223 0.001 0.000 2.379 296 L HA 0.643 4.989 4.340 0.011 0.000 0.269 296 L C 1.386 178.250 176.870 -0.010 0.000 1.084 296 L CA -0.284 54.557 54.840 0.002 0.000 0.802 296 L CB 1.285 43.345 42.059 0.002 0.000 1.175 296 L HN 0.351 nan 8.230 nan 0.000 0.448 297 T N -1.817 112.748 114.554 0.018 0.000 2.899 297 T HA 0.186 4.543 4.350 0.011 0.000 0.284 297 T C 0.996 175.717 174.700 0.035 0.000 1.004 297 T CA -0.636 61.480 62.100 0.026 0.000 1.043 297 T CB 1.371 70.261 68.868 0.037 0.000 1.013 297 T HN 0.461 nan 8.240 nan 0.000 0.518 298 I N 0.777 121.364 120.570 0.028 0.000 2.264 298 I HA -0.126 4.051 4.170 0.011 0.000 0.248 298 I C 1.719 177.878 176.117 0.070 0.000 1.111 298 I CA 1.602 62.914 61.300 0.020 0.000 1.382 298 I CB -0.586 37.412 38.000 -0.002 0.000 1.060 298 I HN 0.698 nan 8.210 nan 0.000 0.418 299 D N 0.121 120.557 120.400 0.061 0.000 2.224 299 D HA -0.140 4.507 4.640 0.011 0.000 0.205 299 D C 1.967 178.297 176.300 0.049 0.000 0.965 299 D CA 0.941 54.973 54.000 0.054 0.000 0.852 299 D CB -0.027 40.803 40.800 0.049 0.000 0.947 299 D HN 0.552 nan 8.370 nan 0.000 0.494 300 E N -0.490 119.746 120.200 0.060 0.000 2.152 300 E HA -0.092 4.265 4.350 0.011 0.000 0.192 300 E C 1.528 178.170 176.600 0.071 0.000 0.983 300 E CA 0.384 56.818 56.400 0.056 0.000 0.818 300 E CB 0.065 29.799 29.700 0.057 0.000 0.758 300 E HN 0.208 nan 8.360 nan 0.000 0.467 301 F N 0.892 120.787 119.950 -0.092 0.000 2.274 301 F HA 0.220 4.753 4.527 0.009 0.000 0.288 301 F C 2.132 177.863 175.800 -0.115 0.000 1.069 301 F CA 0.869 58.776 58.000 -0.155 0.000 1.343 301 F CB -0.382 38.486 39.000 -0.221 0.000 1.089 301 F HN -0.073 nan 8.300 nan 0.000 0.517 302 A N 1.341 124.102 122.820 -0.098 0.000 1.892 302 A HA -0.159 4.168 4.320 0.011 0.000 0.218 302 A C -0.337 177.165 177.584 -0.138 0.000 1.188 302 A CA 2.136 54.111 52.037 -0.102 0.000 0.631 302 A CB -2.323 16.712 19.000 0.060 0.000 0.822 302 A HN 0.386 nan 8.150 nan 0.000 0.447 303 P HA -0.081 nan 4.420 nan 0.000 0.225 303 P C 0.781 178.006 177.300 -0.126 0.000 1.148 303 P CA 0.712 63.771 63.100 -0.069 0.000 0.779 303 P CB 0.033 31.713 31.700 -0.033 0.000 0.780 304 R N -0.676 119.683 120.500 -0.235 0.000 2.480 304 R HA 0.284 4.631 4.340 0.011 0.000 0.277 304 R C 0.251 176.345 176.300 -0.343 0.000 1.008 304 R CA -0.194 55.750 56.100 -0.259 0.000 1.090 304 R CB -0.475 29.674 30.300 -0.252 0.000 1.234 304 R HN 0.318 nan 8.270 nan 0.000 0.549 305 L N 0.894 121.923 121.223 -0.324 0.000 2.317 305 L HA 0.361 4.707 4.340 0.011 0.000 0.281 305 L C 0.176 176.922 176.870 -0.206 0.000 1.024 305 L CA -0.456 54.184 54.840 -0.333 0.000 0.810 305 L CB 1.897 43.776 42.059 -0.300 0.000 1.240 305 L HN 0.053 nan 8.230 nan 0.000 0.427 306 S N 1.058 116.585 115.700 -0.287 0.000 2.618 306 S HA 0.763 5.240 4.470 0.011 0.000 0.277 306 S C -1.059 173.323 174.600 -0.363 0.000 1.138 306 S CA -0.801 57.306 58.200 -0.155 0.000 0.844 306 S CB 1.929 65.073 63.200 -0.094 0.000 1.127 306 S HN 0.233 nan 8.310 nan 0.000 0.474 307 F N 0.586 120.373 119.950 -0.273 0.000 2.598 307 F HA 0.794 5.327 4.527 0.010 0.000 0.327 307 F C -0.749 174.878 175.800 -0.288 0.000 1.057 307 F CA -1.120 56.628 58.000 -0.420 0.000 0.957 307 F CB 1.827 40.377 39.000 -0.750 0.000 1.278 307 F HN 0.659 nan 8.300 nan 0.000 0.484 308 F N 2.227 121.945 119.950 -0.386 0.000 2.828 308 F HA 0.432 4.965 4.527 0.011 0.000 0.355 308 F C -1.867 173.842 175.800 -0.151 0.000 1.200 308 F CA -1.797 56.096 58.000 -0.178 0.000 1.062 308 F CB 0.506 39.496 39.000 -0.017 0.000 1.351 308 F HN 0.440 nan 8.300 nan 0.000 0.504 309 W N 3.952 125.394 121.300 0.238 0.000 2.448 309 W HA 0.683 5.349 4.660 0.011 0.000 0.339 309 W C 0.581 177.095 176.519 -0.008 0.000 1.124 309 W CA -1.220 56.143 57.345 0.029 0.000 1.262 309 W CB 1.697 31.180 29.460 0.038 0.000 1.251 309 W HN 0.843 nan 8.180 nan 0.000 0.597 310 G N 2.022 110.974 108.800 0.254 0.000 2.389 310 G HA2 0.639 4.605 3.960 0.011 0.000 0.317 310 G HA3 0.639 4.605 3.960 0.011 0.000 0.317 310 G C -1.199 173.775 174.900 0.123 0.000 1.137 310 G CA -0.651 44.576 45.100 0.212 0.000 0.870 310 G HN 0.321 nan 8.290 nan 0.000 0.496 311 I N 2.252 122.887 120.570 0.108 0.000 2.448 311 I HA 0.356 4.532 4.170 0.011 0.000 0.281 311 I C 0.822 176.968 176.117 0.048 0.000 1.027 311 I CA -0.450 60.874 61.300 0.039 0.000 1.111 311 I CB 0.774 38.787 38.000 0.020 0.000 1.236 311 I HN 0.595 nan 8.210 nan 0.000 0.452 312 G N 5.424 114.244 108.800 0.034 0.000 2.736 312 G HA2 0.421 4.387 3.960 0.011 0.000 0.229 312 G HA3 0.421 4.387 3.960 0.011 0.000 0.229 312 G C 0.660 175.605 174.900 0.076 0.000 1.380 312 G CA -0.369 44.772 45.100 0.068 0.000 1.040 312 G HN 0.371 nan 8.290 nan 0.000 0.568 313 M N 0.475 120.136 119.600 0.101 0.000 2.595 313 M HA 0.109 4.596 4.480 0.011 0.000 0.248 313 M C 0.855 177.229 176.300 0.124 0.000 1.119 313 M CA 0.144 55.510 55.300 0.110 0.000 1.079 313 M CB -0.714 31.949 32.600 0.105 0.000 1.472 313 M HN 0.385 nan 8.290 nan 0.000 0.501 314 N N 1.217 119.986 118.700 0.115 0.000 2.605 314 N HA -0.027 4.720 4.740 0.011 0.000 0.258 314 N C 0.607 176.177 175.510 0.100 0.000 1.156 314 N CA -0.086 53.053 53.050 0.148 0.000 1.008 314 N CB -0.116 38.452 38.487 0.133 0.000 1.354 314 N HN 0.110 nan 8.380 nan 0.000 0.509 315 F N 3.706 123.610 119.950 -0.077 0.000 2.043 315 F HA -0.307 4.227 4.527 0.012 0.000 0.297 315 F C 1.159 176.868 175.800 -0.152 0.000 1.118 315 F CA 1.796 59.707 58.000 -0.149 0.000 1.202 315 F CB -0.293 38.551 39.000 -0.261 0.000 0.965 315 F HN 0.513 nan 8.300 nan 0.000 0.482 316 Y N -0.958 119.389 120.300 0.079 0.000 2.181 316 Y HA -0.322 4.235 4.550 0.011 0.000 0.288 316 Y C 2.510 178.249 175.900 -0.268 0.000 1.146 316 Y CA 1.085 59.075 58.100 -0.183 0.000 1.164 316 Y CB -0.522 37.928 38.460 -0.017 0.000 0.982 316 Y HN 0.212 nan 8.280 nan 0.000 0.515 317 M N 0.351 119.940 119.600 -0.019 0.000 2.175 317 M HA -0.182 4.305 4.480 0.011 0.000 0.264 317 M C 1.805 177.987 176.300 -0.197 0.000 1.063 317 M CA 1.687 56.911 55.300 -0.127 0.000 1.119 317 M CB -0.138 32.386 32.600 -0.126 0.000 1.377 317 M HN 0.027 nan 8.290 nan 0.000 0.415 318 E N -0.023 120.055 120.200 -0.203 0.000 2.150 318 E HA -0.110 4.246 4.350 0.011 0.000 0.193 318 E C 2.142 178.559 176.600 -0.304 0.000 0.985 318 E CA 1.371 57.624 56.400 -0.245 0.000 0.814 318 E CB -0.401 29.184 29.700 -0.192 0.000 0.752 318 E HN 0.601 nan 8.360 nan 0.000 0.466 319 I N 1.190 121.540 120.570 -0.366 0.000 2.202 319 I HA -0.235 3.942 4.170 0.011 0.000 0.242 319 I C 2.550 178.484 176.117 -0.305 0.000 1.091 319 I CA 1.062 62.138 61.300 -0.374 0.000 1.368 319 I CB -0.389 37.264 38.000 -0.578 0.000 1.058 319 I HN -0.013 nan 8.210 nan 0.000 0.410 320 A N 0.780 123.424 122.820 -0.293 0.000 1.908 320 A HA -0.290 4.037 4.320 0.011 0.000 0.218 320 A C 2.395 179.843 177.584 -0.227 0.000 1.181 320 A CA 2.093 53.989 52.037 -0.235 0.000 0.627 320 A CB -0.610 18.263 19.000 -0.211 0.000 0.818 320 A HN 0.377 nan 8.150 nan 0.000 0.445 321 K N -0.870 119.361 120.400 -0.282 0.000 2.063 321 K HA -0.130 4.197 4.320 0.011 0.000 0.208 321 K C 2.064 178.396 176.600 -0.445 0.000 1.048 321 K CA 1.839 57.906 56.287 -0.366 0.000 0.928 321 K CB -0.252 31.981 32.500 -0.444 0.000 0.713 321 K HN 0.532 nan 8.250 nan 0.000 0.442 322 M N -0.122 119.225 119.600 -0.422 0.000 2.200 322 M HA -0.105 4.381 4.480 0.011 0.000 0.265 322 M C 2.171 178.376 176.300 -0.157 0.000 1.066 322 M CA 1.441 56.533 55.300 -0.346 0.000 1.127 322 M CB -0.088 32.375 32.600 -0.229 0.000 1.379 322 M HN 0.105 nan 8.290 nan 0.000 0.420 323 R N 0.275 120.694 120.500 -0.136 0.000 2.062 323 R HA 0.038 4.385 4.340 0.011 0.000 0.226 323 R C 2.450 178.728 176.300 -0.037 0.000 1.125 323 R CA 1.311 57.370 56.100 -0.067 0.000 0.966 323 R CB -0.580 29.674 30.300 -0.076 0.000 0.861 323 R HN 0.317 nan 8.270 nan 0.000 0.433 324 A N 1.135 123.925 122.820 -0.051 0.000 1.917 324 A HA -0.141 4.186 4.320 0.011 0.000 0.219 324 A C 2.409 180.027 177.584 0.057 0.000 1.182 324 A CA 1.950 54.011 52.037 0.039 0.000 0.633 324 A CB -1.426 17.583 19.000 0.014 0.000 0.819 324 A HN 0.484 nan 8.150 nan 0.000 0.448 325 G N -0.603 108.165 108.800 -0.052 0.000 2.476 325 G HA2 -0.293 3.673 3.960 0.011 0.000 0.218 325 G HA3 -0.293 3.673 3.960 0.011 0.000 0.218 325 G C 1.778 176.730 174.900 0.088 0.000 1.164 325 G CA 1.074 46.167 45.100 -0.010 0.000 0.768 325 G HN 0.585 nan 8.290 nan 0.000 0.560 326 R N -0.334 120.208 120.500 0.071 0.000 2.073 326 R HA -0.010 4.336 4.340 0.011 0.000 0.234 326 R C 2.699 179.100 176.300 0.169 0.000 1.134 326 R CA 1.222 57.393 56.100 0.118 0.000 0.952 326 R CB -0.343 30.016 30.300 0.099 0.000 0.850 326 R HN 0.274 nan 8.270 nan 0.000 0.433 327 R N 0.697 121.260 120.500 0.105 0.000 2.096 327 R HA -0.143 4.204 4.340 0.011 0.000 0.235 327 R C 2.148 178.492 176.300 0.072 0.000 1.127 327 R CA 1.144 57.241 56.100 -0.006 0.000 0.968 327 R CB -0.176 30.092 30.300 -0.054 0.000 0.861 327 R HN 0.100 nan 8.270 nan 0.000 0.440 328 L N 0.371 121.745 121.223 0.251 0.000 2.027 328 L HA -0.159 4.187 4.340 0.011 0.000 0.206 328 L C 2.001 179.021 176.870 0.250 0.000 1.074 328 L CA 1.677 56.640 54.840 0.205 0.000 0.745 328 L CB -0.948 41.116 42.059 0.010 0.000 0.898 328 L HN 0.341 nan 8.230 nan 0.000 0.433 329 W N 0.236 121.575 121.300 0.066 0.000 2.354 329 W HA -0.271 4.397 4.660 0.013 0.000 0.315 329 W C 2.249 178.855 176.519 0.144 0.000 1.206 329 W CA 1.979 59.376 57.345 0.087 0.000 1.290 329 W CB -0.190 29.259 29.460 -0.020 0.000 1.152 329 W HN 0.320 nan 8.180 nan 0.000 0.489 330 A N 0.176 123.131 122.820 0.225 0.000 1.892 330 A HA -0.299 4.027 4.320 0.011 0.000 0.218 330 A C 1.720 179.401 177.584 0.162 0.000 1.188 330 A CA 2.161 54.305 52.037 0.178 0.000 0.631 330 A CB -1.642 17.531 19.000 0.288 0.000 0.822 330 A HN 0.595 nan 8.150 nan 0.000 0.447 331 H N -0.915 118.234 119.070 0.133 0.000 2.321 331 H HA -0.045 4.517 4.556 0.010 0.000 0.300 331 H C 2.101 177.448 175.328 0.032 0.000 1.087 331 H CA 1.222 57.332 56.048 0.103 0.000 1.319 331 H CB -0.109 29.770 29.762 0.194 0.000 1.379 331 H HN 0.380 nan 8.280 nan 0.000 0.501 332 L N 0.248 121.550 121.223 0.132 0.000 1.994 332 L HA -0.204 4.143 4.340 0.011 0.000 0.208 332 L C 2.298 179.135 176.870 -0.054 0.000 1.071 332 L CA 0.603 55.451 54.840 0.014 0.000 0.745 332 L CB -0.237 41.826 42.059 0.006 0.000 0.892 332 L HN 0.324 nan 8.230 nan 0.000 0.431 333 I N 0.095 120.555 120.570 -0.184 0.000 2.208 333 I HA -0.318 3.859 4.170 0.011 0.000 0.245 333 I C 2.531 178.686 176.117 0.062 0.000 1.097 333 I CA 1.569 62.818 61.300 -0.086 0.000 1.363 333 I CB -1.067 36.712 38.000 -0.369 0.000 1.051 333 I HN 0.452 nan 8.210 nan 0.000 0.413 334 E N 1.143 121.366 120.200 0.037 0.000 2.031 334 E HA -0.266 4.091 4.350 0.011 0.000 0.193 334 E C 2.332 178.947 176.600 0.026 0.000 0.994 334 E CA 1.441 57.877 56.400 0.061 0.000 0.800 334 E CB -0.027 29.725 29.700 0.085 0.000 0.752 334 E HN 0.326 nan 8.360 nan 0.000 0.447 335 K N -0.146 120.254 120.400 -0.000 0.000 2.032 335 K HA -0.169 4.158 4.320 0.011 0.000 0.209 335 K C 2.163 178.700 176.600 -0.105 0.000 1.048 335 K CA 1.901 58.161 56.287 -0.044 0.000 0.927 335 K CB -0.053 32.419 32.500 -0.046 0.000 0.712 335 K HN 0.225 nan 8.250 nan 0.000 0.441 336 M N -1.184 118.308 119.600 -0.181 0.000 2.334 336 M HA 0.005 4.492 4.480 0.011 0.000 0.266 336 M C 0.802 176.717 176.300 -0.641 0.000 1.082 336 M CA 1.112 56.136 55.300 -0.459 0.000 1.141 336 M CB 0.380 32.580 32.600 -0.666 0.000 1.380 336 M HN 0.069 nan 8.290 nan 0.000 0.440 337 F N -0.740 119.190 119.950 -0.032 0.000 2.767 337 F HA 0.231 4.762 4.527 0.006 0.000 0.323 337 F C 0.294 176.091 175.800 -0.005 0.000 1.091 337 F CA -0.441 57.549 58.000 -0.017 0.000 1.192 337 F CB 0.160 39.150 39.000 -0.017 0.000 1.056 337 F HN 0.006 nan 8.300 nan 0.000 0.571 338 Q N 1.455 121.331 119.800 0.127 0.000 2.443 338 Q HA -0.172 4.175 4.340 0.011 0.000 0.337 338 Q C -2.373 173.686 176.000 0.099 0.000 1.401 338 Q CA -0.220 55.634 55.803 0.085 0.000 0.943 338 Q CB -1.605 27.163 28.738 0.050 0.000 1.177 338 Q HN 0.204 nan 8.270 nan 0.000 0.394 339 P HA -0.011 nan 4.420 nan 0.000 0.272 339 P C 0.004 177.350 177.300 0.076 0.000 1.223 339 P CA 0.100 63.256 63.100 0.093 0.000 0.784 339 P CB 0.799 32.553 31.700 0.090 0.000 0.923 340 K N 0.419 120.859 120.400 0.067 0.000 2.361 340 K HA 0.090 4.417 4.320 0.011 0.000 0.196 340 K C 0.206 176.843 176.600 0.062 0.000 1.039 340 K CA 0.538 56.860 56.287 0.058 0.000 1.001 340 K CB 0.064 32.593 32.500 0.049 0.000 0.795 340 K HN 0.427 nan 8.250 nan 0.000 0.495 341 N N 0.022 118.762 118.700 0.068 0.000 2.372 341 N HA 0.097 4.843 4.740 0.011 0.000 0.285 341 N C -0.029 175.536 175.510 0.092 0.000 1.008 341 N CA -0.146 52.947 53.050 0.072 0.000 0.880 341 N CB 1.948 40.471 38.487 0.061 0.000 1.239 341 N HN -0.233 nan 8.380 nan 0.000 0.484 342 S N 1.744 117.511 115.700 0.112 0.000 2.387 342 S HA -0.170 4.307 4.470 0.011 0.000 0.230 342 S C 1.454 176.131 174.600 0.128 0.000 1.035 342 S CA 1.468 59.768 58.200 0.165 0.000 1.014 342 S CB 0.020 63.344 63.200 0.207 0.000 0.836 342 S HN 0.510 nan 8.310 nan 0.000 0.466 343 K N 0.777 121.226 120.400 0.081 0.000 2.281 343 K HA 0.007 4.334 4.320 0.011 0.000 0.203 343 K C 1.935 178.552 176.600 0.029 0.000 1.046 343 K CA 1.229 57.536 56.287 0.033 0.000 0.938 343 K CB -0.103 32.426 32.500 0.048 0.000 0.737 343 K HN 0.214 nan 8.250 nan 0.000 0.458 344 S N 0.870 116.607 115.700 0.062 0.000 2.522 344 S HA 0.053 4.530 4.470 0.011 0.000 0.227 344 S C 1.469 176.134 174.600 0.108 0.000 0.986 344 S CA 0.545 58.792 58.200 0.079 0.000 0.929 344 S CB 0.032 63.276 63.200 0.072 0.000 0.769 344 S HN 0.231 nan 8.310 nan 0.000 0.529 345 L N 0.823 122.106 121.223 0.099 0.000 2.567 345 L HA 0.255 4.601 4.340 0.011 0.000 0.225 345 L C 0.124 177.075 176.870 0.134 0.000 1.119 345 L CA 0.150 55.070 54.840 0.133 0.000 0.871 345 L CB -0.271 41.955 42.059 0.278 0.000 1.036 345 L HN 0.197 nan 8.230 nan 0.000 0.459 346 L N 1.281 122.477 121.223 -0.045 0.000 2.380 346 L HA 0.214 4.560 4.340 0.011 0.000 0.273 346 L C -0.194 176.695 176.870 0.032 0.000 1.138 346 L CA -0.019 54.678 54.840 -0.238 0.000 0.832 346 L CB 1.306 43.133 42.059 -0.386 0.000 1.124 346 L HN 0.094 nan 8.230 nan 0.000 0.454 347 L N 4.870 126.055 121.223 -0.065 0.000 2.264 347 L HA 0.409 4.756 4.340 0.011 0.000 0.287 347 L C -0.368 176.425 176.870 -0.129 0.000 1.039 347 L CA -0.392 54.313 54.840 -0.225 0.000 0.829 347 L CB 0.379 42.187 42.059 -0.419 0.000 1.211 347 L HN 0.629 nan 8.230 nan 0.000 0.427 348 R N 4.375 124.865 120.500 -0.016 0.000 2.294 348 R HA 0.704 5.050 4.340 0.011 0.000 0.319 348 R C -0.709 175.650 176.300 0.099 0.000 0.984 348 R CA -0.413 55.714 56.100 0.044 0.000 0.861 348 R CB 1.748 32.094 30.300 0.076 0.000 1.104 348 R HN 0.668 nan 8.270 nan 0.000 0.451 349 A N 2.170 125.065 122.820 0.125 0.000 2.355 349 A HA 0.365 4.692 4.320 0.011 0.000 0.317 349 A C -1.357 176.350 177.584 0.205 0.000 1.094 349 A CA -0.682 51.431 52.037 0.126 0.000 0.764 349 A CB 1.000 20.122 19.000 0.205 0.000 1.230 349 A HN 0.827 nan 8.150 nan 0.000 0.448 350 H N 0.180 119.309 119.070 0.099 0.000 2.463 350 H HA 0.633 5.196 4.556 0.011 0.000 0.332 350 H C -0.879 174.618 175.328 0.281 0.000 1.127 350 H CA -0.428 55.701 56.048 0.136 0.000 1.238 350 H CB 1.182 30.940 29.762 -0.006 0.000 1.478 350 H HN 0.664 nan 8.280 nan 0.000 0.499 351 C N 4.258 123.341 119.300 -0.362 0.000 2.507 351 C HA 0.428 4.894 4.460 0.011 0.000 0.319 351 C C -0.630 174.208 174.990 -0.254 0.000 1.208 351 C CA -0.562 58.399 59.018 -0.094 0.000 1.619 351 C CB 1.279 29.034 27.740 0.024 0.000 2.230 351 C HN 0.870 nan 8.230 nan 0.000 0.492 352 Q N 1.418 121.275 119.800 0.095 0.000 2.337 352 Q HA 0.513 4.859 4.340 0.011 0.000 0.270 352 Q C -0.107 175.973 176.000 0.133 0.000 1.043 352 Q CA -0.161 55.680 55.803 0.063 0.000 0.794 352 Q CB 1.682 30.404 28.738 -0.026 0.000 1.281 352 Q HN 0.874 nan 8.270 nan 0.000 0.446 353 T N 0.680 115.263 114.554 0.048 0.000 2.932 353 T HA 0.080 4.437 4.350 0.011 0.000 0.312 353 T C 0.434 175.228 174.700 0.156 0.000 1.071 353 T CA -0.449 61.698 62.100 0.079 0.000 1.128 353 T CB 1.206 70.095 68.868 0.036 0.000 0.984 353 T HN 0.498 nan 8.240 nan 0.000 0.549 354 S N 2.078 117.867 115.700 0.149 0.000 2.481 354 S HA 0.306 4.783 4.470 0.011 0.000 0.282 354 S C 1.747 176.441 174.600 0.157 0.000 1.243 354 S CA -0.246 58.047 58.200 0.156 0.000 1.078 354 S CB -0.424 62.845 63.200 0.115 0.000 0.916 354 S HN 0.956 nan 8.310 nan 0.000 0.495 355 G N 4.519 113.442 108.800 0.204 0.000 2.440 355 G HA2 -0.246 3.721 3.960 0.011 0.000 0.218 355 G HA3 -0.246 3.721 3.960 0.011 0.000 0.218 355 G C 1.019 176.002 174.900 0.140 0.000 1.154 355 G CA 0.751 45.947 45.100 0.160 0.000 0.767 355 G HN 0.878 nan 8.290 nan 0.000 0.552 356 W N 2.367 123.657 121.300 -0.017 0.000 2.374 356 W HA -0.133 4.534 4.660 0.011 0.000 0.288 356 W C 2.929 179.449 176.519 0.001 0.000 1.218 356 W CA 2.178 59.513 57.345 -0.017 0.000 1.245 356 W CB -0.038 29.399 29.460 -0.039 0.000 1.126 356 W HN 0.280 nan 8.180 nan 0.000 0.545 357 S N -0.022 115.751 115.700 0.121 0.000 2.481 357 S HA -0.054 4.422 4.470 0.011 0.000 0.231 357 S C 0.824 175.361 174.600 -0.105 0.000 0.996 357 S CA 0.306 58.500 58.200 -0.010 0.000 0.942 357 S CB -0.883 62.381 63.200 0.105 0.000 0.768 357 S HN 0.134 nan 8.310 nan 0.000 0.520 358 L N 3.088 124.261 121.223 -0.083 0.000 2.416 358 L HA 0.285 4.632 4.340 0.011 0.000 0.272 358 L C 0.855 177.637 176.870 -0.146 0.000 1.161 358 L CA -0.312 54.483 54.840 -0.076 0.000 0.845 358 L CB 0.418 42.454 42.059 -0.039 0.000 1.119 358 L HN 0.270 nan 8.230 nan 0.000 0.464 359 T N -1.834 112.659 114.554 -0.103 0.000 2.929 359 T HA 0.282 4.639 4.350 0.011 0.000 0.284 359 T C 0.696 175.359 174.700 -0.060 0.000 1.014 359 T CA -0.863 61.171 62.100 -0.110 0.000 1.051 359 T CB 1.846 70.667 68.868 -0.077 0.000 1.028 359 T HN 0.632 nan 8.240 nan 0.000 0.485 360 E N 0.745 120.911 120.200 -0.058 0.000 2.072 360 E HA -0.057 4.300 4.350 0.011 0.000 0.190 360 E C 0.444 177.043 176.600 -0.002 0.000 0.982 360 E CA 0.734 57.118 56.400 -0.027 0.000 0.803 360 E CB 0.071 29.756 29.700 -0.024 0.000 0.755 360 E HN 0.658 nan 8.360 nan 0.000 0.453 361 Q N 1.177 120.976 119.800 -0.002 0.000 2.314 361 Q HA 0.038 4.385 4.340 0.011 0.000 0.258 361 Q C -0.614 175.405 176.000 0.031 0.000 0.954 361 Q CA -0.053 55.760 55.803 0.017 0.000 0.890 361 Q CB 0.766 29.514 28.738 0.016 0.000 1.210 361 Q HN -0.009 nan 8.270 nan 0.000 0.410 362 D N 2.062 122.493 120.400 0.051 0.000 2.735 362 D HA -0.144 4.503 4.640 0.011 0.000 0.235 362 D C -1.760 174.587 176.300 0.077 0.000 1.175 362 D CA 0.294 54.336 54.000 0.071 0.000 0.683 362 D CB -0.080 40.752 40.800 0.053 0.000 1.008 362 D HN 0.428 nan 8.370 nan 0.000 0.416 363 P HA -0.159 nan 4.420 nan 0.000 0.226 363 P C 1.346 178.642 177.300 -0.007 0.000 1.153 363 P CA 0.782 63.926 63.100 0.073 0.000 0.777 363 P CB -0.121 31.653 31.700 0.122 0.000 0.794 364 Y N 0.944 121.165 120.300 -0.131 0.000 2.352 364 Y HA -0.117 4.439 4.550 0.011 0.000 0.292 364 Y C 2.296 178.083 175.900 -0.187 0.000 1.136 364 Y CA 0.993 58.873 58.100 -0.366 0.000 1.227 364 Y CB -1.063 37.168 38.460 -0.381 0.000 0.991 364 Y HN -0.016 nan 8.280 nan 0.000 0.545 365 N N 0.257 118.978 118.700 0.035 0.000 2.272 365 N HA -0.187 4.559 4.740 0.011 0.000 0.185 365 N C 1.179 176.698 175.510 0.014 0.000 1.014 365 N CA 1.106 54.164 53.050 0.013 0.000 0.870 365 N CB -0.484 38.010 38.487 0.011 0.000 0.975 365 N HN 0.449 nan 8.380 nan 0.000 0.433 366 N N 1.173 119.890 118.700 0.028 0.000 2.364 366 N HA -0.055 4.692 4.740 0.011 0.000 0.183 366 N C 1.790 177.341 175.510 0.068 0.000 1.022 366 N CA 0.359 53.441 53.050 0.054 0.000 0.883 366 N CB -0.146 38.394 38.487 0.089 0.000 0.965 366 N HN 0.402 nan 8.380 nan 0.000 0.438 367 I N 0.228 120.829 120.570 0.052 0.000 2.179 367 I HA -0.225 3.952 4.170 0.011 0.000 0.242 367 I C 2.030 178.175 176.117 0.047 0.000 1.088 367 I CA 0.920 62.257 61.300 0.061 0.000 1.357 367 I CB -0.292 37.723 38.000 0.024 0.000 1.051 367 I HN -0.080 nan 8.210 nan 0.000 0.409 368 V N 0.791 120.720 119.914 0.026 0.000 2.379 368 V HA -0.209 3.918 4.120 0.011 0.000 0.245 368 V C 2.565 178.676 176.094 0.028 0.000 1.044 368 V CA 1.621 63.933 62.300 0.019 0.000 1.036 368 V CB -0.743 31.079 31.823 -0.001 0.000 0.664 368 V HN 0.350 nan 8.190 nan 0.000 0.453 369 R N -0.022 120.496 120.500 0.030 0.000 2.080 369 R HA -0.174 4.173 4.340 0.011 0.000 0.236 369 R C 2.392 178.724 176.300 0.054 0.000 1.137 369 R CA 2.074 58.197 56.100 0.039 0.000 0.943 369 R CB -0.985 29.336 30.300 0.034 0.000 0.846 369 R HN 0.460 nan 8.270 nan 0.000 0.431 370 T N 0.926 115.514 114.554 0.057 0.000 2.803 370 T HA -0.135 4.222 4.350 0.011 0.000 0.269 370 T C 1.880 176.618 174.700 0.063 0.000 1.052 370 T CA 1.372 63.509 62.100 0.061 0.000 1.136 370 T CB -0.180 68.728 68.868 0.067 0.000 0.864 370 T HN 0.414 nan 8.240 nan 0.000 0.467 371 A N 1.028 123.885 122.820 0.061 0.000 1.898 371 A HA 0.039 4.365 4.320 0.011 0.000 0.216 371 A C 2.249 179.879 177.584 0.076 0.000 1.181 371 A CA 1.022 53.096 52.037 0.061 0.000 0.620 371 A CB -0.636 18.395 19.000 0.052 0.000 0.819 371 A HN 0.518 nan 8.150 nan 0.000 0.442 372 I N -0.379 120.241 120.570 0.083 0.000 2.252 372 I HA -0.251 3.926 4.170 0.011 0.000 0.245 372 I C 2.463 178.705 176.117 0.209 0.000 1.102 372 I CA 1.516 62.898 61.300 0.136 0.000 1.385 372 I CB -0.443 37.606 38.000 0.082 0.000 1.064 372 I HN 0.421 nan 8.210 nan 0.000 0.414 373 E N 1.065 121.341 120.200 0.127 0.000 2.051 373 E HA -0.228 4.128 4.350 0.011 0.000 0.192 373 E C 2.378 179.001 176.600 0.040 0.000 0.991 373 E CA 1.347 57.801 56.400 0.090 0.000 0.799 373 E CB -0.244 29.497 29.700 0.069 0.000 0.748 373 E HN 0.516 nan 8.360 nan 0.000 0.449 374 A N 1.174 124.009 122.820 0.026 0.000 1.908 374 A HA -0.231 4.096 4.320 0.011 0.000 0.218 374 A C 2.185 179.694 177.584 -0.124 0.000 1.181 374 A CA 1.654 53.665 52.037 -0.043 0.000 0.627 374 A CB -0.505 18.494 19.000 -0.002 0.000 0.818 374 A HN 0.156 nan 8.150 nan 0.000 0.445 375 M N -0.781 118.798 119.600 -0.036 0.000 2.175 375 M HA -0.114 4.373 4.480 0.011 0.000 0.264 375 M C 2.563 178.813 176.300 -0.084 0.000 1.063 375 M CA 1.223 56.456 55.300 -0.111 0.000 1.119 375 M CB -0.464 32.222 32.600 0.144 0.000 1.377 375 M HN 0.498 nan 8.290 nan 0.000 0.415 376 A N 0.755 123.595 122.820 0.034 0.000 1.892 376 A HA -0.160 4.167 4.320 0.011 0.000 0.218 376 A C 2.386 179.871 177.584 -0.166 0.000 1.188 376 A CA 2.234 54.139 52.037 -0.220 0.000 0.631 376 A CB -1.077 17.765 19.000 -0.262 0.000 0.822 376 A HN 0.505 nan 8.150 nan 0.000 0.447 377 A N -0.822 121.905 122.820 -0.155 0.000 1.908 377 A HA -0.009 4.317 4.320 0.011 0.000 0.218 377 A C 2.263 179.716 177.584 -0.219 0.000 1.181 377 A CA 1.910 53.849 52.037 -0.163 0.000 0.627 377 A CB -0.926 17.968 19.000 -0.176 0.000 0.818 377 A HN 0.418 nan 8.150 nan 0.000 0.445 378 V N -1.281 118.405 119.914 -0.381 0.000 2.307 378 V HA -0.225 3.902 4.120 0.011 0.000 0.245 378 V C 2.288 178.359 176.094 -0.039 0.000 1.045 378 V CA 1.938 63.955 62.300 -0.471 0.000 1.024 378 V CB -0.970 30.371 31.823 -0.803 0.000 0.651 378 V HN 0.629 nan 8.190 nan 0.000 0.449 379 F N 0.991 120.964 119.950 0.039 0.000 2.269 379 F HA -0.085 4.448 4.527 0.011 0.000 0.301 379 F C 2.293 178.112 175.800 0.031 0.000 1.082 379 F CA 0.925 59.004 58.000 0.132 0.000 1.360 379 F CB -0.455 38.642 39.000 0.162 0.000 1.041 379 F HN 0.299 nan 8.300 nan 0.000 0.512 380 G N -0.712 108.147 108.800 0.099 0.000 2.813 380 G HA2 0.243 4.210 3.960 0.011 0.000 0.209 380 G HA3 0.243 4.210 3.960 0.011 0.000 0.209 380 G C 1.184 176.115 174.900 0.052 0.000 1.150 380 G CA 0.377 45.481 45.100 0.006 0.000 0.785 380 G HN 0.535 nan 8.290 nan 0.000 0.535 381 G N -0.387 108.484 108.800 0.118 0.000 2.291 381 G HA2 -0.195 3.772 3.960 0.011 0.000 0.271 381 G HA3 -0.195 3.772 3.960 0.011 0.000 0.271 381 G C 0.251 175.264 174.900 0.187 0.000 1.099 381 G CA 0.322 45.491 45.100 0.115 0.000 0.919 381 G HN 0.686 nan 8.290 nan 0.000 0.496 382 T N -1.042 113.644 114.554 0.221 0.000 2.898 382 T HA 0.408 4.764 4.350 0.011 0.000 0.301 382 T C 1.656 176.560 174.700 0.340 0.000 1.049 382 T CA 0.538 62.761 62.100 0.204 0.000 1.095 382 T CB 0.769 69.672 68.868 0.059 0.000 0.976 382 T HN 0.279 nan 8.240 nan 0.000 0.539 383 Q N 1.364 121.353 119.800 0.313 0.000 2.302 383 Q HA 0.229 4.575 4.340 0.011 0.000 0.202 383 Q C 0.642 176.870 176.000 0.380 0.000 0.936 383 Q CA 0.395 56.425 55.803 0.378 0.000 0.886 383 Q CB 0.398 29.324 28.738 0.314 0.000 0.986 383 Q HN 0.735 nan 8.270 nan 0.000 0.487 384 S N -1.330 114.571 115.700 0.336 0.000 2.596 384 S HA 0.729 5.206 4.470 0.011 0.000 0.270 384 S C -1.622 173.146 174.600 0.280 0.000 1.155 384 S CA -1.015 57.419 58.200 0.391 0.000 0.827 384 S CB 1.479 64.914 63.200 0.393 0.000 1.130 384 S HN 0.042 nan 8.310 nan 0.000 0.467 385 L N 1.310 122.726 121.223 0.322 0.000 2.493 385 L HA 0.542 4.889 4.340 0.011 0.000 0.265 385 L C -1.352 175.697 176.870 0.299 0.000 0.954 385 L CA -0.157 54.764 54.840 0.135 0.000 0.844 385 L CB 2.054 44.125 42.059 0.019 0.000 1.302 385 L HN 1.088 nan 8.230 nan 0.000 0.405 386 H N 2.836 121.970 119.070 0.106 0.000 2.551 386 H HA 0.635 5.197 4.556 0.011 0.000 0.321 386 H C -1.097 174.300 175.328 0.116 0.000 1.028 386 H CA -0.424 55.740 56.048 0.193 0.000 1.215 386 H CB 1.129 31.079 29.762 0.313 0.000 1.414 386 H HN 0.735 nan 8.280 nan 0.000 0.480 387 T N 2.897 117.625 114.554 0.290 0.000 2.767 387 T HA 0.225 4.581 4.350 0.011 0.000 0.284 387 T C 0.347 175.093 174.700 0.076 0.000 0.973 387 T CA -1.187 60.981 62.100 0.113 0.000 0.996 387 T CB 1.013 69.961 68.868 0.133 0.000 0.927 387 T HN 0.529 nan 8.240 nan 0.000 0.456 388 N N 1.976 120.646 118.700 -0.051 0.000 2.371 388 N HA 0.213 4.960 4.740 0.011 0.000 0.243 388 N C 0.064 175.592 175.510 0.030 0.000 1.287 388 N CA -0.171 52.859 53.050 -0.033 0.000 0.911 388 N CB 0.641 39.103 38.487 -0.041 0.000 1.142 388 N HN 0.611 nan 8.380 nan 0.000 0.451 389 S N 0.292 115.991 115.700 -0.002 0.000 2.617 389 S HA 0.216 4.692 4.470 0.011 0.000 0.283 389 S C 1.212 175.753 174.600 -0.099 0.000 1.189 389 S CA -0.754 57.413 58.200 -0.055 0.000 1.036 389 S CB 0.413 63.528 63.200 -0.143 0.000 1.014 389 S HN 0.553 nan 8.310 nan 0.000 0.522 390 F N 1.311 121.212 119.950 -0.082 0.000 2.451 390 F HA -0.005 4.528 4.527 0.011 0.000 0.299 390 F C 1.176 176.884 175.800 -0.152 0.000 1.101 390 F CA 0.892 58.817 58.000 -0.126 0.000 1.436 390 F CB -0.271 38.614 39.000 -0.191 0.000 1.074 390 F HN 0.499 nan 8.300 nan 0.000 0.553 391 D N -0.434 119.550 120.400 -0.695 0.000 2.402 391 D HA -0.020 4.627 4.640 0.011 0.000 0.216 391 D C 1.156 177.301 176.300 -0.258 0.000 1.128 391 D CA -0.015 53.691 54.000 -0.490 0.000 0.833 391 D CB -0.788 39.571 40.800 -0.736 0.000 0.971 391 D HN 0.487 nan 8.370 nan 0.000 0.503 392 E N 0.506 120.592 120.200 -0.190 0.000 2.347 392 E HA -0.003 4.354 4.350 0.011 0.000 0.196 392 E C 1.847 178.401 176.600 -0.077 0.000 1.008 392 E CA 0.611 56.942 56.400 -0.116 0.000 0.852 392 E CB 0.109 29.764 29.700 -0.075 0.000 0.783 392 E HN 0.420 nan 8.360 nan 0.000 0.505 393 A N 0.982 123.759 122.820 -0.072 0.000 1.972 393 A HA -0.128 4.199 4.320 0.011 0.000 0.219 393 A C 2.053 179.605 177.584 -0.054 0.000 1.169 393 A CA 1.035 53.035 52.037 -0.061 0.000 0.635 393 A CB -0.245 18.715 19.000 -0.067 0.000 0.810 393 A HN 0.156 nan 8.150 nan 0.000 0.446 394 L N -2.652 118.533 121.223 -0.063 0.000 2.513 394 L HA 0.401 4.748 4.340 0.011 0.000 0.222 394 L C 1.273 178.113 176.870 -0.051 0.000 1.096 394 L CA 0.413 55.223 54.840 -0.051 0.000 0.857 394 L CB 0.224 42.252 42.059 -0.052 0.000 1.026 394 L HN 0.559 nan 8.230 nan 0.000 0.469 395 G N -0.828 107.931 108.800 -0.069 0.000 2.399 395 G HA2 0.189 4.155 3.960 0.011 0.000 0.256 395 G HA3 0.189 4.155 3.960 0.011 0.000 0.256 395 G C -1.436 173.411 174.900 -0.088 0.000 1.236 395 G CA -0.915 44.146 45.100 -0.064 0.000 0.914 395 G HN -0.160 nan 8.290 nan 0.000 0.482 396 L N 1.877 123.044 121.223 -0.094 0.000 2.436 396 L HA 0.380 4.726 4.340 0.011 0.000 0.265 396 L C -1.844 174.934 176.870 -0.153 0.000 1.168 396 L CA -1.421 53.349 54.840 -0.116 0.000 0.815 396 L CB 0.769 42.756 42.059 -0.121 0.000 1.109 396 L HN 0.256 nan 8.230 nan 0.000 0.462 397 P HA 0.092 nan 4.420 nan 0.000 0.271 397 P C -0.451 176.737 177.300 -0.186 0.000 1.216 397 P CA -0.375 62.606 63.100 -0.199 0.000 0.776 397 P CB 0.602 32.207 31.700 -0.159 0.000 0.881 398 T N -1.644 112.787 114.554 -0.205 0.000 2.824 398 T HA 0.180 4.536 4.350 0.011 0.000 0.277 398 T C 1.301 175.938 174.700 -0.105 0.000 0.975 398 T CA -0.657 61.359 62.100 -0.140 0.000 0.966 398 T CB 0.202 68.996 68.868 -0.122 0.000 1.054 398 T HN 0.005 nan 8.240 nan 0.000 0.533 399 V N 1.170 121.047 119.914 -0.062 0.000 2.332 399 V HA -0.141 3.985 4.120 0.011 0.000 0.248 399 V C 2.866 178.959 176.094 -0.003 0.000 1.055 399 V CA 2.274 64.555 62.300 -0.032 0.000 1.038 399 V CB -0.870 30.946 31.823 -0.013 0.000 0.651 399 V HN 1.012 nan 8.190 nan 0.000 0.450 400 K N 0.498 120.910 120.400 0.020 0.000 2.057 400 K HA -0.188 4.139 4.320 0.011 0.000 0.206 400 K C 2.404 179.065 176.600 0.103 0.000 1.050 400 K CA 1.929 58.264 56.287 0.080 0.000 0.935 400 K CB -0.219 32.361 32.500 0.132 0.000 0.715 400 K HN 0.617 nan 8.250 nan 0.000 0.439 401 S N 0.313 116.020 115.700 0.012 0.000 2.387 401 S HA -0.037 4.439 4.470 0.011 0.000 0.226 401 S C 2.258 176.847 174.600 -0.019 0.000 1.026 401 S CA 0.790 58.954 58.200 -0.059 0.000 0.972 401 S CB -0.310 62.532 63.200 -0.596 0.000 0.814 401 S HN 0.391 nan 8.310 nan 0.000 0.477 402 A N 2.290 125.082 122.820 -0.047 0.000 1.908 402 A HA -0.090 4.236 4.320 0.011 0.000 0.218 402 A C 2.361 179.964 177.584 0.031 0.000 1.181 402 A CA 1.655 53.683 52.037 -0.016 0.000 0.627 402 A CB -0.759 18.215 19.000 -0.042 0.000 0.818 402 A HN 0.593 nan 8.150 nan 0.000 0.445 403 R N -0.628 119.897 120.500 0.042 0.000 2.090 403 R HA 0.038 4.385 4.340 0.011 0.000 0.228 403 R C 1.890 178.235 176.300 0.076 0.000 1.110 403 R CA 1.255 57.388 56.100 0.056 0.000 0.973 403 R CB -0.306 30.026 30.300 0.053 0.000 0.869 403 R HN 0.546 nan 8.270 nan 0.000 0.440 404 I N 0.708 121.340 120.570 0.104 0.000 2.394 404 I HA -0.213 3.964 4.170 0.011 0.000 0.251 404 I C 2.456 178.642 176.117 0.115 0.000 1.136 404 I CA 1.169 62.543 61.300 0.123 0.000 1.425 404 I CB -0.230 37.882 38.000 0.187 0.000 1.079 404 I HN 0.245 nan 8.210 nan 0.000 0.425 405 A N 0.764 123.650 122.820 0.110 0.000 1.898 405 A HA -0.221 4.105 4.320 0.011 0.000 0.216 405 A C 2.473 180.123 177.584 0.110 0.000 1.181 405 A CA 1.631 53.734 52.037 0.109 0.000 0.620 405 A CB -0.559 18.502 19.000 0.100 0.000 0.819 405 A HN 0.369 nan 8.150 nan 0.000 0.442 406 R N 0.033 120.589 120.500 0.094 0.000 2.066 406 R HA -0.094 4.252 4.340 0.011 0.000 0.232 406 R C 1.738 178.083 176.300 0.076 0.000 1.131 406 R CA 1.731 57.882 56.100 0.085 0.000 0.955 406 R CB -0.517 29.820 30.300 0.061 0.000 0.851 406 R HN 0.684 nan 8.270 nan 0.000 0.432 407 N N -0.580 118.160 118.700 0.067 0.000 2.364 407 N HA -0.106 4.640 4.740 0.011 0.000 0.183 407 N C 1.223 176.773 175.510 0.067 0.000 1.022 407 N CA 1.381 54.464 53.050 0.056 0.000 0.883 407 N CB 0.025 38.542 38.487 0.050 0.000 0.965 407 N HN 0.264 nan 8.380 nan 0.000 0.438 408 T N 1.146 115.751 114.554 0.085 0.000 2.684 408 T HA -0.173 4.184 4.350 0.011 0.000 0.267 408 T C 1.807 176.576 174.700 0.115 0.000 1.036 408 T CA 1.189 63.344 62.100 0.091 0.000 1.148 408 T CB -0.156 68.770 68.868 0.095 0.000 0.863 408 T HN 0.324 nan 8.240 nan 0.000 0.436 409 Q N 0.056 119.943 119.800 0.145 0.000 2.079 409 Q HA 0.041 4.388 4.340 0.011 0.000 0.200 409 Q C 2.423 178.512 176.000 0.149 0.000 0.974 409 Q CA 1.056 56.998 55.803 0.232 0.000 0.840 409 Q CB -0.297 28.613 28.738 0.287 0.000 0.898 409 Q HN 0.529 nan 8.270 nan 0.000 0.430 410 I N 0.442 121.044 120.570 0.053 0.000 2.252 410 I HA -0.270 3.907 4.170 0.011 0.000 0.245 410 I C 2.165 178.281 176.117 -0.001 0.000 1.102 410 I CA 1.065 62.353 61.300 -0.020 0.000 1.385 410 I CB -0.233 37.753 38.000 -0.023 0.000 1.064 410 I HN 0.179 nan 8.210 nan 0.000 0.414 411 I N 0.773 121.364 120.570 0.035 0.000 2.226 411 I HA -0.290 3.886 4.170 0.011 0.000 0.245 411 I C 2.447 178.596 176.117 0.054 0.000 1.100 411 I CA 1.581 62.903 61.300 0.037 0.000 1.374 411 I CB -0.179 37.847 38.000 0.043 0.000 1.057 411 I HN 0.139 nan 8.210 nan 0.000 0.413 412 I N 0.044 120.670 120.570 0.095 0.000 2.179 412 I HA -0.315 3.862 4.170 0.011 0.000 0.242 412 I C 2.596 178.797 176.117 0.139 0.000 1.088 412 I CA 1.415 62.795 61.300 0.133 0.000 1.357 412 I CB -0.501 37.611 38.000 0.187 0.000 1.051 412 I HN 0.302 nan 8.210 nan 0.000 0.409 413 Q N 0.413 120.259 119.800 0.076 0.000 2.030 413 Q HA -0.263 4.084 4.340 0.011 0.000 0.204 413 Q C 1.920 177.878 176.000 -0.069 0.000 0.986 413 Q CA 1.877 57.606 55.803 -0.124 0.000 0.843 413 Q CB -0.051 28.459 28.738 -0.380 0.000 0.904 413 Q HN 0.509 nan 8.270 nan 0.000 0.420 414 E N -1.031 119.139 120.200 -0.051 0.000 2.431 414 E HA -0.017 4.340 4.350 0.011 0.000 0.200 414 E C 1.054 177.649 176.600 -0.008 0.000 0.995 414 E CA 0.109 56.483 56.400 -0.043 0.000 0.915 414 E CB 0.606 30.271 29.700 -0.059 0.000 0.930 414 E HN 0.275 nan 8.360 nan 0.000 0.496 415 E N -0.754 119.452 120.200 0.011 0.000 2.391 415 E HA -0.009 4.348 4.350 0.011 0.000 0.206 415 E C 1.804 178.426 176.600 0.036 0.000 0.851 415 E CA 0.598 57.011 56.400 0.021 0.000 1.059 415 E CB 0.522 30.234 29.700 0.021 0.000 1.065 415 E HN 0.072 nan 8.360 nan 0.000 0.512 416 S N -0.061 115.670 115.700 0.051 0.000 2.461 416 S HA 0.073 4.550 4.470 0.011 0.000 0.228 416 S C 1.841 176.486 174.600 0.075 0.000 1.005 416 S CA 0.913 59.152 58.200 0.066 0.000 0.942 416 S CB 0.157 63.404 63.200 0.079 0.000 0.776 416 S HN 0.366 nan 8.310 nan 0.000 0.514 417 G N 1.297 110.142 108.800 0.075 0.000 2.205 417 G HA2 -0.304 3.663 3.960 0.011 0.000 0.261 417 G HA3 -0.304 3.663 3.960 0.011 0.000 0.261 417 G C 0.713 175.687 174.900 0.123 0.000 0.980 417 G CA 0.424 45.575 45.100 0.085 0.000 0.632 417 G HN 0.566 nan 8.290 nan 0.000 0.533 418 I N 1.569 122.225 120.570 0.143 0.000 2.208 418 I HA -0.118 4.058 4.170 0.011 0.000 0.245 418 I C 0.201 176.471 176.117 0.255 0.000 1.097 418 I CA 1.851 63.266 61.300 0.193 0.000 1.363 418 I CB -0.703 37.369 38.000 0.120 0.000 1.051 418 I HN 0.194 nan 8.210 nan 0.000 0.413 419 P HA -0.135 nan 4.420 nan 0.000 0.228 419 P C 1.009 178.490 177.300 0.301 0.000 1.151 419 P CA 1.222 64.552 63.100 0.384 0.000 0.770 419 P CB -0.076 31.791 31.700 0.278 0.000 0.786 420 K N -0.967 119.556 120.400 0.205 0.000 2.444 420 K HA 0.136 4.462 4.320 0.011 0.000 0.193 420 K C -0.042 176.641 176.600 0.139 0.000 1.024 420 K CA 0.255 56.634 56.287 0.154 0.000 1.077 420 K CB 0.374 32.940 32.500 0.111 0.000 0.833 420 K HN 0.015 nan 8.250 nan 0.000 0.517 421 V N 1.258 121.265 119.914 0.156 0.000 2.531 421 V HA 0.367 4.493 4.120 0.011 0.000 0.301 421 V C -0.455 175.719 176.094 0.134 0.000 1.034 421 V CA -1.326 61.047 62.300 0.121 0.000 0.865 421 V CB 1.508 33.387 31.823 0.093 0.000 0.995 421 V HN 0.092 nan 8.190 nan 0.000 0.424 422 A N 2.931 125.808 122.820 0.095 0.000 2.450 422 A HA 0.487 4.813 4.320 0.011 0.000 0.255 422 A C 0.551 178.178 177.584 0.071 0.000 1.096 422 A CA 0.171 52.247 52.037 0.064 0.000 0.778 422 A CB -0.279 18.749 19.000 0.047 0.000 1.031 422 A HN 1.204 nan 8.150 nan 0.000 0.494 423 D N 2.194 122.644 120.400 0.082 0.000 2.886 423 D HA -0.139 4.508 4.640 0.011 0.000 0.221 423 D C -1.023 175.349 176.300 0.121 0.000 1.227 423 D CA 0.986 55.058 54.000 0.119 0.000 0.746 423 D CB -0.027 40.818 40.800 0.075 0.000 0.935 423 D HN 0.380 nan 8.370 nan 0.000 0.399 424 P HA -0.158 nan 4.420 nan 0.000 0.218 424 P C 1.402 178.635 177.300 -0.112 0.000 1.149 424 P CA 1.152 64.259 63.100 0.012 0.000 0.817 424 P CB -0.184 31.534 31.700 0.030 0.000 0.785 425 W N 1.099 122.350 121.300 -0.081 0.000 2.699 425 W HA 0.183 4.850 4.660 0.011 0.000 0.249 425 W C 1.496 177.941 176.519 -0.123 0.000 1.280 425 W CA 0.536 57.796 57.345 -0.142 0.000 1.345 425 W CB -0.882 28.474 29.460 -0.173 0.000 1.128 425 W HN -0.080 nan 8.180 nan 0.000 0.642 426 G N 0.377 109.236 108.800 0.097 0.000 2.150 426 G HA2 0.295 4.261 3.960 0.011 0.000 0.250 426 G HA3 0.295 4.261 3.960 0.011 0.000 0.250 426 G C 1.089 175.973 174.900 -0.028 0.000 1.179 426 G CA 0.535 45.652 45.100 0.028 0.000 0.934 426 G HN 0.626 nan 8.290 nan 0.000 0.453 427 G N 1.201 109.975 108.800 -0.043 0.000 2.258 427 G HA2 -0.225 3.741 3.960 0.011 0.000 0.233 427 G HA3 -0.225 3.741 3.960 0.011 0.000 0.233 427 G C 0.964 175.760 174.900 -0.174 0.000 1.006 427 G CA 0.767 45.813 45.100 -0.089 0.000 0.620 427 G HN 1.892 nan 8.290 nan 0.000 0.511 428 S N 0.377 115.992 115.700 -0.142 0.000 2.596 428 S HA 0.281 4.758 4.470 0.011 0.000 0.298 428 S C 1.542 176.044 174.600 -0.164 0.000 1.255 428 S CA 0.585 58.670 58.200 -0.191 0.000 1.083 428 S CB 0.006 63.261 63.200 0.091 0.000 0.837 428 S HN 0.385 nan 8.310 nan 0.000 0.499 429 Y N 3.729 123.996 120.300 -0.055 0.000 2.151 429 Y HA -0.205 4.351 4.550 0.011 0.000 0.284 429 Y C 2.555 178.285 175.900 -0.282 0.000 1.166 429 Y CA 1.575 59.627 58.100 -0.079 0.000 1.163 429 Y CB -0.283 38.190 38.460 0.022 0.000 0.974 429 Y HN 0.659 nan 8.280 nan 0.000 0.511 430 M N -0.276 119.162 119.600 -0.269 0.000 2.123 430 M HA -0.178 4.309 4.480 0.011 0.000 0.263 430 M C 2.133 178.079 176.300 -0.589 0.000 1.069 430 M CA 1.776 56.561 55.300 -0.857 0.000 1.133 430 M CB -0.333 31.915 32.600 -0.588 0.000 1.356 430 M HN 0.444 nan 8.290 nan 0.000 0.415 431 M N 1.100 120.504 119.600 -0.327 0.000 2.229 431 M HA -0.099 4.388 4.480 0.011 0.000 0.264 431 M C 1.645 177.815 176.300 -0.216 0.000 1.063 431 M CA 1.640 56.770 55.300 -0.284 0.000 1.114 431 M CB -0.496 31.988 32.600 -0.193 0.000 1.387 431 M HN 0.196 nan 8.290 nan 0.000 0.420 432 E N -0.888 119.213 120.200 -0.166 0.000 2.107 432 E HA -0.132 4.224 4.350 0.011 0.000 0.191 432 E C 2.257 178.776 176.600 -0.135 0.000 0.982 432 E CA 1.322 57.647 56.400 -0.125 0.000 0.809 432 E CB -0.721 28.927 29.700 -0.086 0.000 0.756 432 E HN 0.538 nan 8.360 nan 0.000 0.459 433 C N 0.620 119.809 119.300 -0.185 0.000 2.466 433 C HA -0.048 4.418 4.460 0.011 0.000 0.278 433 C C 2.716 177.625 174.990 -0.135 0.000 1.288 433 C CA 0.096 59.031 59.018 -0.138 0.000 1.722 433 C CB -0.920 26.730 27.740 -0.151 0.000 2.017 433 C HN 0.318 nan 8.230 nan 0.000 0.488 434 L N 0.962 122.047 121.223 -0.230 0.000 2.046 434 L HA -0.111 4.236 4.340 0.011 0.000 0.208 434 L C 2.558 179.351 176.870 -0.129 0.000 1.077 434 L CA 2.138 56.868 54.840 -0.183 0.000 0.747 434 L CB -1.177 40.736 42.059 -0.243 0.000 0.896 434 L HN 0.280 nan 8.230 nan 0.000 0.432 435 T N 0.067 114.541 114.554 -0.134 0.000 2.684 435 T HA -0.174 4.183 4.350 0.011 0.000 0.267 435 T C 1.703 176.390 174.700 -0.022 0.000 1.036 435 T CA 1.645 63.691 62.100 -0.089 0.000 1.148 435 T CB -0.369 68.441 68.868 -0.095 0.000 0.863 435 T HN 0.364 nan 8.240 nan 0.000 0.436 436 N N 1.403 120.088 118.700 -0.025 0.000 2.104 436 N HA -0.099 4.648 4.740 0.011 0.000 0.190 436 N C 1.571 177.130 175.510 0.082 0.000 1.024 436 N CA 1.143 54.211 53.050 0.029 0.000 0.853 436 N CB -0.485 38.026 38.487 0.041 0.000 1.008 436 N HN 0.388 nan 8.380 nan 0.000 0.424 437 D N 0.117 120.536 120.400 0.031 0.000 2.144 437 D HA -0.040 4.607 4.640 0.011 0.000 0.200 437 D C 2.034 178.343 176.300 0.015 0.000 0.978 437 D CA 0.409 54.424 54.000 0.025 0.000 0.833 437 D CB -0.133 40.661 40.800 -0.010 0.000 0.961 437 D HN 0.029 nan 8.370 nan 0.000 0.470 438 V N 0.604 120.513 119.914 -0.008 0.000 2.379 438 V HA -0.245 3.882 4.120 0.011 0.000 0.245 438 V C 2.178 178.283 176.094 0.018 0.000 1.044 438 V CA 1.170 63.449 62.300 -0.035 0.000 1.036 438 V CB -0.638 31.132 31.823 -0.088 0.000 0.664 438 V HN 0.159 nan 8.190 nan 0.000 0.453 439 Y N 1.671 121.942 120.300 -0.048 0.000 2.114 439 Y HA -0.309 4.247 4.550 0.010 0.000 0.282 439 Y C 2.349 178.252 175.900 0.005 0.000 1.165 439 Y CA 2.310 60.404 58.100 -0.010 0.000 1.148 439 Y CB -0.309 38.159 38.460 0.014 0.000 0.972 439 Y HN 0.331 nan 8.280 nan 0.000 0.504 440 D N -0.101 120.427 120.400 0.214 0.000 2.117 440 D HA -0.133 4.514 4.640 0.011 0.000 0.198 440 D C 2.310 178.614 176.300 0.006 0.000 0.982 440 D CA 1.474 55.546 54.000 0.120 0.000 0.828 440 D CB -0.700 40.176 40.800 0.126 0.000 0.967 440 D HN 0.476 nan 8.370 nan 0.000 0.464 441 A N 0.950 123.765 122.820 -0.009 0.000 1.933 441 A HA -0.036 4.291 4.320 0.011 0.000 0.218 441 A C 2.273 179.816 177.584 -0.068 0.000 1.175 441 A CA 2.182 54.194 52.037 -0.040 0.000 0.628 441 A CB -0.620 18.348 19.000 -0.055 0.000 0.814 441 A HN 0.238 nan 8.150 nan 0.000 0.444 442 A N -0.628 122.136 122.820 -0.092 0.000 1.897 442 A HA 0.062 4.389 4.320 0.011 0.000 0.215 442 A C 2.083 179.606 177.584 -0.102 0.000 1.181 442 A CA 1.545 53.520 52.037 -0.105 0.000 0.620 442 A CB -0.579 18.352 19.000 -0.115 0.000 0.821 442 A HN 0.684 nan 8.150 nan 0.000 0.443 443 L N 0.147 121.270 121.223 -0.167 0.000 2.083 443 L HA -0.116 4.231 4.340 0.011 0.000 0.209 443 L C 2.189 179.021 176.870 -0.063 0.000 1.083 443 L CA 2.531 57.276 54.840 -0.158 0.000 0.752 443 L CB -0.588 41.315 42.059 -0.260 0.000 0.899 443 L HN 0.460 nan 8.230 nan 0.000 0.433 444 K N -0.750 119.624 120.400 -0.044 0.000 2.057 444 K HA -0.157 4.169 4.320 0.011 0.000 0.207 444 K C 2.044 178.643 176.600 -0.000 0.000 1.049 444 K CA 1.721 57.998 56.287 -0.015 0.000 0.931 444 K CB -0.173 32.320 32.500 -0.011 0.000 0.714 444 K HN 0.429 nan 8.250 nan 0.000 0.440 445 L N 0.565 121.787 121.223 -0.002 0.000 2.109 445 L HA -0.120 4.227 4.340 0.011 0.000 0.207 445 L C 2.364 179.277 176.870 0.073 0.000 1.086 445 L CA 0.851 55.712 54.840 0.035 0.000 0.760 445 L CB -0.326 41.736 42.059 0.006 0.000 0.910 445 L HN 0.219 nan 8.230 nan 0.000 0.437 446 I N 0.096 120.700 120.570 0.055 0.000 2.226 446 I HA -0.281 3.896 4.170 0.011 0.000 0.245 446 I C 2.229 178.379 176.117 0.055 0.000 1.100 446 I CA 1.060 62.407 61.300 0.079 0.000 1.374 446 I CB -0.411 37.631 38.000 0.071 0.000 1.057 446 I HN 0.331 nan 8.210 nan 0.000 0.413 447 N N 0.838 119.554 118.700 0.027 0.000 2.149 447 N HA -0.199 4.548 4.740 0.011 0.000 0.188 447 N C 1.742 177.265 175.510 0.022 0.000 1.019 447 N CA 1.340 54.400 53.050 0.016 0.000 0.857 447 N CB -0.277 38.212 38.487 0.004 0.000 0.997 447 N HN 0.453 nan 8.380 nan 0.000 0.426 448 E N 0.507 120.726 120.200 0.031 0.000 2.051 448 E HA -0.083 4.274 4.350 0.011 0.000 0.192 448 E C 2.052 178.674 176.600 0.036 0.000 0.991 448 E CA 0.756 57.175 56.400 0.033 0.000 0.799 448 E CB -0.099 29.627 29.700 0.042 0.000 0.748 448 E HN 0.320 nan 8.360 nan 0.000 0.449 449 I N 1.259 121.862 120.570 0.056 0.000 2.226 449 I HA -0.258 3.919 4.170 0.011 0.000 0.245 449 I C 2.322 178.456 176.117 0.028 0.000 1.100 449 I CA 0.930 62.258 61.300 0.047 0.000 1.374 449 I CB -0.184 37.862 38.000 0.077 0.000 1.057 449 I HN 0.054 nan 8.210 nan 0.000 0.413 450 E N 0.861 121.080 120.200 0.032 0.000 2.085 450 E HA -0.256 4.101 4.350 0.011 0.000 0.194 450 E C 2.347 178.949 176.600 0.003 0.000 0.994 450 E CA 1.835 58.245 56.400 0.016 0.000 0.801 450 E CB -0.378 29.329 29.700 0.012 0.000 0.743 450 E HN 0.674 nan 8.360 nan 0.000 0.453 451 E N 0.394 120.597 120.200 0.005 0.000 2.150 451 E HA -0.104 4.253 4.350 0.011 0.000 0.193 451 E C 2.136 178.734 176.600 -0.003 0.000 0.985 451 E CA 1.452 57.852 56.400 -0.001 0.000 0.814 451 E CB -0.772 28.929 29.700 0.001 0.000 0.752 451 E HN 0.140 nan 8.360 nan 0.000 0.466 452 M N -1.212 118.388 119.600 -0.000 0.000 2.374 452 M HA 0.280 4.766 4.480 0.011 0.000 0.264 452 M C 2.175 178.468 176.300 -0.012 0.000 1.067 452 M CA 0.800 56.096 55.300 -0.007 0.000 1.103 452 M CB -0.312 32.283 32.600 -0.008 0.000 1.402 452 M HN 1.324 nan 8.290 nan 0.000 0.444 453 G N -0.825 107.969 108.800 -0.010 0.000 2.151 453 G HA2 0.321 4.287 3.960 0.011 0.000 0.156 453 G HA3 0.321 4.287 3.960 0.011 0.000 0.156 453 G C 0.512 175.405 174.900 -0.012 0.000 1.017 453 G CA -0.259 44.834 45.100 -0.012 0.000 0.686 453 G HN 1.621 nan 8.290 nan 0.000 0.503 454 G N -1.496 107.301 108.800 -0.005 0.000 2.699 454 G HA2 0.140 4.107 3.960 0.011 0.000 0.686 454 G HA3 0.140 4.107 3.960 0.011 0.000 0.686 454 G C 0.753 175.639 174.900 -0.023 0.000 1.301 454 G CA 0.216 45.316 45.100 -0.001 0.000 0.816 454 G HN 0.720 nan 8.290 nan 0.000 0.595 455 M N 0.902 120.485 119.600 -0.028 0.000 2.213 455 M HA -0.103 4.383 4.480 0.011 0.000 0.263 455 M C 2.995 179.245 176.300 -0.083 0.000 1.062 455 M CA 2.564 57.827 55.300 -0.062 0.000 1.105 455 M CB -1.684 30.877 32.600 -0.065 0.000 1.385 455 M HN 1.265 nan 8.290 nan 0.000 0.417 456 A N 0.598 123.370 122.820 -0.080 0.000 1.903 456 A HA -0.231 4.095 4.320 0.011 0.000 0.219 456 A C 2.264 179.786 177.584 -0.103 0.000 1.191 456 A CA 1.948 53.930 52.037 -0.091 0.000 0.638 456 A CB -0.542 18.414 19.000 -0.074 0.000 0.823 456 A HN 0.502 nan 8.150 nan 0.000 0.451 457 K N -0.816 119.537 120.400 -0.078 0.000 2.116 457 K HA 0.115 4.442 4.320 0.011 0.000 0.203 457 K C 2.368 178.922 176.600 -0.078 0.000 1.052 457 K CA 0.866 57.109 56.287 -0.075 0.000 0.952 457 K CB -0.282 32.187 32.500 -0.052 0.000 0.729 457 K HN 0.431 nan 8.250 nan 0.000 0.446 458 A N 1.439 124.213 122.820 -0.076 0.000 1.877 458 A HA -0.113 4.214 4.320 0.011 0.000 0.216 458 A C 2.393 179.913 177.584 -0.108 0.000 1.186 458 A CA 1.327 53.313 52.037 -0.085 0.000 0.620 458 A CB -0.708 18.235 19.000 -0.094 0.000 0.822 458 A HN 0.049 nan 8.150 nan 0.000 0.443 459 V N -0.128 119.712 119.914 -0.122 0.000 2.490 459 V HA -0.237 3.890 4.120 0.011 0.000 0.250 459 V C 2.998 179.011 176.094 -0.136 0.000 1.061 459 V CA 1.795 64.023 62.300 -0.118 0.000 1.064 459 V CB -1.089 30.680 31.823 -0.092 0.000 0.670 459 V HN 0.621 nan 8.190 nan 0.000 0.461 460 A N -0.377 122.351 122.820 -0.154 0.000 1.930 460 A HA -0.169 4.158 4.320 0.011 0.000 0.217 460 A C 2.156 179.686 177.584 -0.090 0.000 1.175 460 A CA 1.462 53.408 52.037 -0.151 0.000 0.627 460 A CB -0.312 18.602 19.000 -0.142 0.000 0.815 460 A HN 0.527 nan 8.150 nan 0.000 0.443 461 E N -1.243 118.914 120.200 -0.073 0.000 2.274 461 E HA 0.061 4.418 4.350 0.011 0.000 0.194 461 E C 1.361 177.938 176.600 -0.038 0.000 0.996 461 E CA 0.832 57.203 56.400 -0.048 0.000 0.840 461 E CB -0.394 29.281 29.700 -0.041 0.000 0.772 461 E HN 0.873 nan 8.360 nan 0.000 0.491 462 G N 1.220 109.993 108.800 -0.045 0.000 2.137 462 G HA2 -0.283 3.684 3.960 0.011 0.000 0.237 462 G HA3 -0.283 3.684 3.960 0.011 0.000 0.237 462 G C 0.904 175.790 174.900 -0.023 0.000 1.002 462 G CA 0.512 45.597 45.100 -0.025 0.000 0.702 462 G HN 0.306 nan 8.290 nan 0.000 0.515 463 I N 0.478 121.023 120.570 -0.042 0.000 2.193 463 I HA -0.035 4.141 4.170 0.011 0.000 0.240 463 I C 0.439 176.536 176.117 -0.032 0.000 1.084 463 I CA 1.256 62.541 61.300 -0.025 0.000 1.365 463 I CB -0.772 37.216 38.000 -0.020 0.000 1.064 463 I HN 0.121 nan 8.210 nan 0.000 0.410 464 P HA -0.232 nan 4.420 nan 0.000 0.215 464 P C 1.503 178.786 177.300 -0.029 0.000 1.157 464 P CA 1.545 64.482 63.100 -0.272 0.000 0.874 464 P CB -0.066 31.214 31.700 -0.700 0.000 0.790 465 K N -0.529 119.855 120.400 -0.027 0.000 2.044 465 K HA -0.201 4.126 4.320 0.011 0.000 0.210 465 K C 1.977 178.605 176.600 0.046 0.000 1.049 465 K CA 1.419 57.725 56.287 0.031 0.000 0.927 465 K CB -0.790 31.735 32.500 0.041 0.000 0.713 465 K HN -0.034 nan 8.250 nan 0.000 0.443 466 L N 1.429 122.675 121.223 0.038 0.000 2.056 466 L HA -0.113 4.234 4.340 0.011 0.000 0.207 466 L C 2.253 179.159 176.870 0.059 0.000 1.078 466 L CA 1.492 56.358 54.840 0.042 0.000 0.749 466 L CB -0.351 41.728 42.059 0.034 0.000 0.901 466 L HN 0.130 nan 8.230 nan 0.000 0.433 467 R N -0.250 120.303 120.500 0.088 0.000 2.096 467 R HA -0.089 4.258 4.340 0.011 0.000 0.235 467 R C 2.265 178.623 176.300 0.097 0.000 1.127 467 R CA 1.807 57.972 56.100 0.109 0.000 0.968 467 R CB -0.808 29.602 30.300 0.184 0.000 0.861 467 R HN 0.448 nan 8.270 nan 0.000 0.440 468 I N 0.916 121.559 120.570 0.122 0.000 2.202 468 I HA -0.227 3.949 4.170 0.011 0.000 0.242 468 I C 2.118 178.250 176.117 0.025 0.000 1.091 468 I CA 1.314 62.659 61.300 0.075 0.000 1.368 468 I CB -0.304 37.754 38.000 0.098 0.000 1.058 468 I HN 0.182 nan 8.210 nan 0.000 0.410 469 E N 0.727 120.946 120.200 0.033 0.000 2.118 469 E HA -0.256 4.100 4.350 0.011 0.000 0.195 469 E C 2.059 178.674 176.600 0.025 0.000 0.992 469 E CA 1.288 57.700 56.400 0.019 0.000 0.804 469 E CB -0.069 29.646 29.700 0.024 0.000 0.741 469 E HN 0.502 nan 8.360 nan 0.000 0.458 470 E N 0.101 120.323 120.200 0.036 0.000 2.058 470 E HA -0.209 4.147 4.350 0.011 0.000 0.194 470 E C 2.215 178.834 176.600 0.031 0.000 0.997 470 E CA 1.119 57.544 56.400 0.042 0.000 0.801 470 E CB -0.185 29.540 29.700 0.042 0.000 0.746 470 E HN 0.267 nan 8.360 nan 0.000 0.450 471 C N 0.555 119.860 119.300 0.008 0.000 2.393 471 C HA -0.213 4.254 4.460 0.011 0.000 0.276 471 C C 2.945 177.916 174.990 -0.032 0.000 1.215 471 C CA 1.132 60.138 59.018 -0.020 0.000 1.743 471 C CB -1.013 26.698 27.740 -0.049 0.000 2.044 471 C HN 0.569 nan 8.230 nan 0.000 0.464 472 A N 0.019 122.808 122.820 -0.051 0.000 1.908 472 A HA -0.022 4.305 4.320 0.011 0.000 0.218 472 A C 2.327 179.926 177.584 0.025 0.000 1.181 472 A CA 2.341 54.333 52.037 -0.075 0.000 0.627 472 A CB -0.893 18.054 19.000 -0.088 0.000 0.818 472 A HN 0.648 nan 8.150 nan 0.000 0.445 473 A N -0.414 122.449 122.820 0.072 0.000 1.873 473 A HA -0.130 4.197 4.320 0.011 0.000 0.215 473 A C 2.267 179.978 177.584 0.212 0.000 1.186 473 A CA 1.396 53.540 52.037 0.178 0.000 0.616 473 A CB -0.452 18.646 19.000 0.164 0.000 0.823 473 A HN 0.534 nan 8.150 nan 0.000 0.442 474 R N -0.987 119.577 120.500 0.107 0.000 2.081 474 R HA -0.124 4.222 4.340 0.011 0.000 0.235 474 R C 2.516 178.845 176.300 0.049 0.000 1.131 474 R CA 1.585 57.721 56.100 0.059 0.000 0.960 474 R CB -0.318 30.000 30.300 0.030 0.000 0.856 474 R HN 0.581 nan 8.270 nan 0.000 0.436 475 R N 0.880 121.410 120.500 0.051 0.000 2.081 475 R HA -0.200 4.146 4.340 0.011 0.000 0.235 475 R C 2.275 178.655 176.300 0.133 0.000 1.131 475 R CA 1.683 57.822 56.100 0.064 0.000 0.960 475 R CB -0.111 30.195 30.300 0.010 0.000 0.856 475 R HN 0.018 nan 8.270 nan 0.000 0.436 476 Q N 0.068 119.985 119.800 0.194 0.000 2.170 476 Q HA -0.036 4.310 4.340 0.011 0.000 0.203 476 Q C 1.752 177.923 176.000 0.286 0.000 0.976 476 Q CA 1.933 57.912 55.803 0.294 0.000 0.858 476 Q CB -0.216 28.732 28.738 0.350 0.000 0.907 476 Q HN 0.475 nan 8.270 nan 0.000 0.433 477 A N 0.016 122.911 122.820 0.126 0.000 1.930 477 A HA -0.149 4.178 4.320 0.011 0.000 0.217 477 A C 2.072 179.507 177.584 -0.250 0.000 1.175 477 A CA 1.295 53.175 52.037 -0.261 0.000 0.627 477 A CB -0.386 18.305 19.000 -0.515 0.000 0.815 477 A HN 0.337 nan 8.150 nan 0.000 0.443 478 R N -0.579 119.849 120.500 -0.120 0.000 2.073 478 R HA -0.085 4.261 4.340 0.011 0.000 0.234 478 R C 2.010 178.258 176.300 -0.087 0.000 1.134 478 R CA 1.739 57.772 56.100 -0.112 0.000 0.952 478 R CB -0.478 29.812 30.300 -0.017 0.000 0.850 478 R HN 0.583 nan 8.270 nan 0.000 0.433 479 I N 0.850 121.429 120.570 0.015 0.000 2.142 479 I HA -0.278 3.898 4.170 0.011 0.000 0.240 479 I C 1.567 177.691 176.117 0.012 0.000 1.078 479 I CA 1.351 62.679 61.300 0.048 0.000 1.343 479 I CB -0.311 37.769 38.000 0.133 0.000 1.046 479 I HN 0.098 nan 8.210 nan 0.000 0.405 480 D N 0.318 120.749 120.400 0.053 0.000 2.218 480 D HA -0.142 4.505 4.640 0.011 0.000 0.204 480 D C 2.280 178.524 176.300 -0.094 0.000 0.976 480 D CA 1.638 55.703 54.000 0.108 0.000 0.853 480 D CB -0.179 40.854 40.800 0.388 0.000 0.939 480 D HN 0.367 nan 8.370 nan 0.000 0.481 481 S N -1.379 114.033 115.700 -0.480 0.000 2.528 481 S HA 0.247 4.724 4.470 0.011 0.000 0.219 481 S C 1.814 176.226 174.600 -0.313 0.000 0.985 481 S CA 0.729 58.477 58.200 -0.753 0.000 0.914 481 S CB 0.455 62.914 63.200 -1.235 0.000 0.776 481 S HN 0.300 nan 8.310 nan 0.000 0.526 482 G N 0.399 109.091 108.800 -0.181 0.000 2.199 482 G HA2 -0.305 3.661 3.960 0.011 0.000 0.254 482 G HA3 -0.305 3.661 3.960 0.011 0.000 0.254 482 G C 1.162 176.009 174.900 -0.089 0.000 0.982 482 G CA 0.645 45.684 45.100 -0.102 0.000 0.632 482 G HN 1.106 nan 8.290 nan 0.000 0.529 483 S N 0.041 115.669 115.700 -0.120 0.000 2.399 483 S HA 0.246 4.723 4.470 0.011 0.000 0.231 483 S C 1.009 175.597 174.600 -0.021 0.000 1.022 483 S CA 1.977 60.135 58.200 -0.071 0.000 0.983 483 S CB -0.029 63.119 63.200 -0.086 0.000 0.803 483 S HN 0.904 nan 8.310 nan 0.000 0.480 484 E N 0.693 120.886 120.200 -0.011 0.000 2.171 484 E HA 0.530 4.887 4.350 0.011 0.000 0.271 484 E C -1.540 175.076 176.600 0.025 0.000 0.916 484 E CA -0.642 55.777 56.400 0.031 0.000 0.774 484 E CB 1.637 31.377 29.700 0.067 0.000 1.128 484 E HN 0.068 nan 8.360 nan 0.000 0.403 485 V N 6.140 126.074 119.914 0.033 0.000 2.439 485 V HA 0.334 4.461 4.120 0.011 0.000 0.282 485 V C 0.097 176.222 176.094 0.051 0.000 1.039 485 V CA -0.382 61.941 62.300 0.039 0.000 0.913 485 V CB 1.216 33.073 31.823 0.056 0.000 0.983 485 V HN 0.642 nan 8.190 nan 0.000 0.460 486 I N 5.010 125.608 120.570 0.046 0.000 2.420 486 I HA 0.285 4.462 4.170 0.011 0.000 0.282 486 I C -0.205 175.949 176.117 0.062 0.000 1.019 486 I CA -0.738 60.584 61.300 0.036 0.000 1.130 486 I CB 1.836 39.835 38.000 -0.001 0.000 1.262 486 I HN 0.289 nan 8.210 nan 0.000 0.454 487 V N 6.278 126.243 119.914 0.086 0.000 2.557 487 V HA 0.119 4.246 4.120 0.011 0.000 0.301 487 V C 1.412 177.561 176.094 0.092 0.000 1.026 487 V CA 1.537 63.920 62.300 0.137 0.000 1.137 487 V CB 0.186 32.051 31.823 0.069 0.000 0.917 487 V HN 1.163 nan 8.190 nan 0.000 0.484 488 G N 3.297 112.170 108.800 0.123 0.000 2.241 488 G HA2 -0.247 3.720 3.960 0.011 0.000 0.244 488 G HA3 -0.247 3.720 3.960 0.011 0.000 0.244 488 G C 0.443 175.373 174.900 0.049 0.000 0.998 488 G CA 0.403 45.549 45.100 0.077 0.000 0.621 488 G HN 0.661 nan 8.290 nan 0.000 0.519 489 V N 1.252 121.190 119.914 0.039 0.000 2.784 489 V HA 0.171 4.298 4.120 0.011 0.000 0.231 489 V C 1.842 177.950 176.094 0.023 0.000 1.128 489 V CA 1.777 64.090 62.300 0.021 0.000 1.178 489 V CB -0.073 31.748 31.823 -0.003 0.000 0.943 489 V HN 0.590 nan 8.190 nan 0.000 0.500 490 N N 0.306 119.017 118.700 0.018 0.000 2.235 490 N HA 0.181 4.928 4.740 0.011 0.000 0.209 490 N C -0.194 175.296 175.510 -0.033 0.000 1.122 490 N CA 0.055 53.107 53.050 0.004 0.000 0.845 490 N CB 0.497 38.990 38.487 0.009 0.000 1.004 490 N HN 0.545 nan 8.380 nan 0.000 0.499 491 K N -0.693 119.685 120.400 -0.037 0.000 2.639 491 K HA 0.115 4.441 4.320 0.011 0.000 0.279 491 K C -1.257 175.308 176.600 -0.058 0.000 0.976 491 K CA -0.661 55.527 56.287 -0.165 0.000 0.861 491 K CB 0.660 33.011 32.500 -0.248 0.000 1.436 491 K HN -0.057 nan 8.250 nan 0.000 0.400 492 Y N -0.373 119.927 120.300 -0.001 0.000 3.037 492 Y HA -0.277 4.280 4.550 0.011 0.000 0.204 492 Y C -0.406 175.494 175.900 0.000 0.000 1.275 492 Y CA 0.665 58.764 58.100 -0.002 0.000 1.066 492 Y CB -1.951 36.505 38.460 -0.006 0.000 1.305 492 Y HN 0.489 nan 8.280 nan 0.000 0.499 493 Q N 0.441 120.288 119.800 0.078 0.000 2.259 493 Q HA 0.606 4.952 4.340 0.011 0.000 0.249 493 Q C 0.235 176.267 176.000 0.054 0.000 0.914 493 Q CA -0.794 55.045 55.803 0.059 0.000 0.904 493 Q CB 1.125 29.882 28.738 0.031 0.000 1.213 493 Q HN 0.408 nan 8.270 nan 0.000 0.428 494 L N 2.516 123.767 121.223 0.047 0.000 2.439 494 L HA -0.019 4.328 4.340 0.011 0.000 0.269 494 L C 1.470 178.356 176.870 0.027 0.000 1.179 494 L CA -0.283 54.578 54.840 0.036 0.000 0.828 494 L CB 0.465 42.543 42.059 0.031 0.000 1.106 494 L HN 0.745 nan 8.230 nan 0.000 0.467 495 E N 1.886 122.099 120.200 0.022 0.000 2.031 495 E HA -0.129 4.228 4.350 0.011 0.000 0.193 495 E C 0.604 177.213 176.600 0.015 0.000 0.994 495 E CA 1.597 58.008 56.400 0.017 0.000 0.800 495 E CB -0.180 29.528 29.700 0.014 0.000 0.752 495 E HN 0.584 nan 8.360 nan 0.000 0.447 496 K N 1.967 122.375 120.400 0.013 0.000 2.378 496 K HA 0.284 4.611 4.320 0.011 0.000 0.252 496 K C -0.235 176.371 176.600 0.011 0.000 0.931 496 K CA -0.658 55.634 56.287 0.009 0.000 0.794 496 K CB 1.446 33.949 32.500 0.005 0.000 1.181 496 K HN -0.178 nan 8.250 nan 0.000 0.425 497 E N 1.662 121.867 120.200 0.008 0.000 2.373 497 E HA 0.162 4.519 4.350 0.011 0.000 0.263 497 E C -0.638 175.971 176.600 0.014 0.000 1.073 497 E CA -0.439 55.969 56.400 0.014 0.000 0.894 497 E CB 0.866 30.570 29.700 0.005 0.000 1.008 497 E HN 0.665 nan 8.360 nan 0.000 0.420 498 D N 1.129 121.548 120.400 0.032 0.000 2.362 498 D HA 0.097 4.743 4.640 0.011 0.000 0.242 498 D C -0.156 176.160 176.300 0.027 0.000 1.132 498 D CA 0.355 54.377 54.000 0.036 0.000 0.907 498 D CB 0.679 41.520 40.800 0.069 0.000 1.195 498 D HN 0.144 nan 8.370 nan 0.000 0.429 499 T N 0.146 114.712 114.554 0.019 0.000 2.922 499 T HA 0.625 4.982 4.350 0.011 0.000 0.285 499 T C 0.475 175.187 174.700 0.020 0.000 1.005 499 T CA -0.661 61.443 62.100 0.007 0.000 1.061 499 T CB 1.326 70.192 68.868 -0.002 0.000 1.007 499 T HN 0.338 nan 8.240 nan 0.000 0.502 504 A N 4.891 127.697 122.820 -0.025 0.000 2.313 504 A HA 0.901 5.228 4.320 0.011 0.000 0.261 504 A C -0.448 177.118 177.584 -0.029 0.000 1.090 504 A CA -0.211 51.807 52.037 -0.031 0.000 0.807 504 A CB 0.450 19.424 19.000 -0.042 0.000 1.055 504 A HN 0.602 nan 8.150 nan 0.000 0.492 505 I N 0.175 120.724 120.570 -0.034 0.000 2.607 505 I HA 0.460 4.636 4.170 0.011 0.000 0.290 505 I C -1.542 174.552 176.117 -0.038 0.000 1.129 505 I CA -0.489 60.794 61.300 -0.030 0.000 1.042 505 I CB 2.452 40.440 38.000 -0.019 0.000 1.242 505 I HN 0.588 nan 8.210 nan 0.000 0.421 506 D N 4.008 124.390 120.400 -0.030 0.000 2.591 506 D HA 0.163 4.810 4.640 0.011 0.000 0.222 506 D C -0.211 176.077 176.300 -0.020 0.000 1.360 506 D CA -0.429 53.552 54.000 -0.032 0.000 0.967 506 D CB 1.117 41.894 40.800 -0.038 0.000 1.456 506 D HN 0.575 nan 8.370 nan 0.000 0.588 507 N N 1.840 120.531 118.700 -0.015 0.000 2.322 507 N HA -0.010 4.737 4.740 0.011 0.000 0.216 507 N C 0.604 176.110 175.510 -0.007 0.000 1.144 507 N CA -0.061 52.986 53.050 -0.006 0.000 0.830 507 N CB 0.149 38.638 38.487 0.003 0.000 1.034 507 N HN 0.232 nan 8.380 nan 0.000 0.484 508 T N 0.153 114.699 114.554 -0.013 0.000 2.701 508 T HA -0.092 4.265 4.350 0.011 0.000 0.263 508 T C 2.344 177.039 174.700 -0.009 0.000 1.040 508 T CA 2.172 64.265 62.100 -0.012 0.000 1.147 508 T CB -0.704 68.154 68.868 -0.016 0.000 0.865 508 T HN 0.605 nan 8.240 nan 0.000 0.426 509 S N 0.846 116.540 115.700 -0.010 0.000 2.383 509 S HA -0.097 4.379 4.470 0.011 0.000 0.229 509 S C 2.282 176.879 174.600 -0.006 0.000 1.030 509 S CA 1.662 59.857 58.200 -0.009 0.000 1.002 509 S CB -0.880 62.313 63.200 -0.011 0.000 0.829 509 S HN 0.279 nan 8.310 nan 0.000 0.467 510 V N 1.058 120.970 119.914 -0.003 0.000 2.283 510 V HA -0.130 3.997 4.120 0.011 0.000 0.243 510 V C 2.490 178.586 176.094 0.005 0.000 1.039 510 V CA 1.799 64.100 62.300 0.001 0.000 1.016 510 V CB -0.649 31.178 31.823 0.007 0.000 0.650 510 V HN 0.641 nan 8.190 nan 0.000 0.449 511 R N 0.535 121.038 120.500 0.005 0.000 2.096 511 R HA -0.215 4.132 4.340 0.011 0.000 0.240 511 R C 2.246 178.548 176.300 0.003 0.000 1.139 511 R CA 2.242 58.345 56.100 0.005 0.000 0.952 511 R CB -0.325 29.976 30.300 0.001 0.000 0.854 511 R HN 0.547 nan 8.270 nan 0.000 0.436 512 N N -0.149 118.551 118.700 -0.001 0.000 2.120 512 N HA -0.178 4.569 4.740 0.011 0.000 0.188 512 N C 1.876 177.385 175.510 -0.001 0.000 1.024 512 N CA 1.185 54.234 53.050 -0.002 0.000 0.852 512 N CB -0.532 37.953 38.487 -0.004 0.000 1.003 512 N HN 0.072 nan 8.380 nan 0.000 0.424 513 R N 1.004 121.503 120.500 -0.001 0.000 2.096 513 R HA 0.003 4.350 4.340 0.011 0.000 0.235 513 R C 2.074 178.375 176.300 0.002 0.000 1.127 513 R CA 1.218 57.317 56.100 -0.002 0.000 0.968 513 R CB -0.564 29.734 30.300 -0.004 0.000 0.861 513 R HN 0.406 nan 8.270 nan 0.000 0.440 514 Q N -0.334 119.470 119.800 0.006 0.000 2.049 514 Q HA 0.023 4.369 4.340 0.011 0.000 0.198 514 Q C 2.429 178.435 176.000 0.011 0.000 0.971 514 Q CA 1.837 57.647 55.803 0.011 0.000 0.833 514 Q CB -0.611 28.137 28.738 0.018 0.000 0.896 514 Q HN 0.477 nan 8.270 nan 0.000 0.434 515 I N 1.420 121.995 120.570 0.008 0.000 2.335 515 I HA -0.229 3.948 4.170 0.011 0.000 0.251 515 I C 2.779 178.899 176.117 0.006 0.000 1.129 515 I CA 1.715 63.019 61.300 0.007 0.000 1.402 515 I CB -1.754 36.248 38.000 0.004 0.000 1.069 515 I HN 0.535 nan 8.210 nan 0.000 0.424 516 E N 0.766 120.968 120.200 0.004 0.000 2.047 516 E HA -0.253 4.103 4.350 0.011 0.000 0.191 516 E C 2.426 179.029 176.600 0.004 0.000 0.987 516 E CA 1.884 58.285 56.400 0.003 0.000 0.799 516 E CB -0.951 28.749 29.700 0.001 0.000 0.752 516 E HN 0.746 nan 8.360 nan 0.000 0.449 517 K N 0.506 120.909 120.400 0.005 0.000 2.103 517 K HA 0.129 4.456 4.320 0.011 0.000 0.207 517 K C 2.355 178.960 176.600 0.008 0.000 1.048 517 K CA 1.364 57.655 56.287 0.006 0.000 0.930 517 K CB -0.898 31.607 32.500 0.008 0.000 0.716 517 K HN 0.434 nan 8.250 nan 0.000 0.444 518 L N 0.218 121.447 121.223 0.010 0.000 2.093 518 L HA -0.164 4.183 4.340 0.011 0.000 0.208 518 L C 3.370 180.245 176.870 0.008 0.000 1.085 518 L CA 1.795 56.642 54.840 0.011 0.000 0.755 518 L CB -0.518 41.550 42.059 0.014 0.000 0.904 518 L HN 0.557 nan 8.230 nan 0.000 0.435 519 K N 0.619 121.023 120.400 0.007 0.000 2.057 519 K HA -0.177 4.150 4.320 0.011 0.000 0.207 519 K C 2.368 178.970 176.600 0.004 0.000 1.049 519 K CA 1.974 58.264 56.287 0.005 0.000 0.931 519 K CB -1.238 31.264 32.500 0.004 0.000 0.714 519 K HN 0.404 nan 8.250 nan 0.000 0.440 520 K N 0.253 120.655 120.400 0.004 0.000 2.025 520 K HA 0.222 4.548 4.320 0.011 0.000 0.207 520 K C 2.719 179.321 176.600 0.004 0.000 1.049 520 K CA 2.156 58.445 56.287 0.003 0.000 0.933 520 K CB -1.650 30.852 32.500 0.003 0.000 0.714 520 K HN 0.909 nan 8.250 nan 0.000 0.438 521 I N 1.637 122.210 120.570 0.005 0.000 2.179 521 I HA -0.153 4.023 4.170 0.011 0.000 0.242 521 I C 2.526 178.646 176.117 0.004 0.000 1.088 521 I CA 2.643 63.946 61.300 0.005 0.000 1.357 521 I CB -1.088 36.917 38.000 0.008 0.000 1.051 521 I HN 0.513 nan 8.210 nan 0.000 0.409 522 K N 0.844 121.247 120.400 0.005 0.000 2.097 522 K HA -0.131 4.196 4.320 0.011 0.000 0.206 522 K C 2.653 179.255 176.600 0.002 0.000 1.049 522 K CA 1.619 57.909 56.287 0.004 0.000 0.933 522 K CB -0.238 32.265 32.500 0.005 0.000 0.717 522 K HN 0.741 nan 8.250 nan 0.000 0.442 523 S N 0.980 116.681 115.700 0.002 0.000 2.362 523 S HA -0.125 4.352 4.470 0.011 0.000 0.221 523 S C 1.987 176.587 174.600 0.000 0.000 1.032 523 S CA 1.689 59.889 58.200 0.001 0.000 0.973 523 S CB -0.457 62.744 63.200 0.001 0.000 0.849 523 S HN 0.306 nan 8.310 nan 0.000 0.465 524 S N 1.551 117.251 115.700 0.001 0.000 2.399 524 S HA -0.097 4.379 4.470 0.011 0.000 0.231 524 S C 1.167 175.766 174.600 -0.001 0.000 1.022 524 S CA 0.576 58.776 58.200 0.000 0.000 0.983 524 S CB -0.547 62.654 63.200 0.001 0.000 0.803 524 S HN 0.812 nan 8.310 nan 0.000 0.480 525 R N 1.221 121.721 120.500 -0.001 0.000 2.577 525 R HA 0.319 4.666 4.340 0.011 0.000 0.269 525 R C -0.809 175.490 176.300 -0.003 0.000 1.084 525 R CA -0.509 55.590 56.100 -0.002 0.000 1.163 525 R CB 0.096 30.395 30.300 -0.002 0.000 1.100 525 R HN 0.031 nan 8.270 nan 0.000 0.547 526 D N 1.071 121.469 120.400 -0.004 0.000 2.342 526 D HA -0.035 4.611 4.640 0.011 0.000 0.260 526 D C 0.572 176.869 176.300 -0.005 0.000 1.278 526 D CA 0.124 54.121 54.000 -0.005 0.000 0.910 526 D CB 1.437 42.234 40.800 -0.006 0.000 1.079 526 D HN 0.606 nan 8.370 nan 0.000 0.496 527 Q N 3.853 123.651 119.800 -0.004 0.000 2.119 527 Q HA -0.069 4.277 4.340 0.011 0.000 0.201 527 Q C 1.759 177.756 176.000 -0.006 0.000 0.972 527 Q CA 1.787 57.588 55.803 -0.004 0.000 0.847 527 Q CB -0.137 28.600 28.738 -0.003 0.000 0.903 527 Q HN 0.595 nan 8.270 nan 0.000 0.433 528 A N 0.139 122.955 122.820 -0.006 0.000 1.877 528 A HA -0.165 4.161 4.320 0.011 0.000 0.216 528 A C 1.989 179.568 177.584 -0.009 0.000 1.186 528 A CA 1.557 53.589 52.037 -0.007 0.000 0.620 528 A CB -0.926 18.070 19.000 -0.006 0.000 0.822 528 A HN 0.469 nan 8.150 nan 0.000 0.443 529 L N -0.231 120.987 121.223 -0.009 0.000 2.017 529 L HA -0.064 4.282 4.340 0.011 0.000 0.208 529 L C 2.705 179.567 176.870 -0.013 0.000 1.073 529 L CA 2.315 57.149 54.840 -0.011 0.000 0.745 529 L CB -0.886 41.167 42.059 -0.010 0.000 0.894 529 L HN 0.353 nan 8.230 nan 0.000 0.432 530 A N -0.449 122.364 122.820 -0.011 0.000 1.883 530 A HA -0.230 4.097 4.320 0.011 0.000 0.217 530 A C 2.367 179.942 177.584 -0.014 0.000 1.186 530 A CA 2.484 54.513 52.037 -0.012 0.000 0.624 530 A CB -1.365 17.629 19.000 -0.009 0.000 0.822 530 A HN 0.551 nan 8.150 nan 0.000 0.444 531 E N -0.286 119.907 120.200 -0.012 0.000 2.153 531 E HA -0.232 4.125 4.350 0.011 0.000 0.194 531 E C 2.100 178.690 176.600 -0.017 0.000 0.988 531 E CA 1.735 58.127 56.400 -0.013 0.000 0.811 531 E CB -0.576 29.118 29.700 -0.010 0.000 0.746 531 E HN 0.724 nan 8.360 nan 0.000 0.466 532 R N -0.823 119.667 120.500 -0.017 0.000 2.073 532 R HA -0.022 4.325 4.340 0.011 0.000 0.229 532 R C 2.476 178.762 176.300 -0.023 0.000 1.120 532 R CA 1.411 57.500 56.100 -0.019 0.000 0.967 532 R CB -0.724 29.567 30.300 -0.015 0.000 0.862 532 R HN 0.530 nan 8.270 nan 0.000 0.436 533 C N 0.414 119.700 119.300 -0.024 0.000 2.429 533 C HA -0.034 4.432 4.460 0.011 0.000 0.277 533 C C 2.471 177.440 174.990 -0.036 0.000 1.262 533 C CA 0.479 59.479 59.018 -0.029 0.000 1.733 533 C CB -0.944 26.779 27.740 -0.029 0.000 2.010 533 C HN 0.496 nan 8.230 nan 0.000 0.483 534 L N 1.276 122.480 121.223 -0.033 0.000 2.042 534 L HA -0.179 4.168 4.340 0.011 0.000 0.210 534 L C 2.912 179.754 176.870 -0.046 0.000 1.076 534 L CA 1.641 56.458 54.840 -0.038 0.000 0.749 534 L CB -0.826 41.216 42.059 -0.029 0.000 0.893 534 L HN 0.347 nan 8.230 nan 0.000 0.432 535 A N 0.063 122.860 122.820 -0.039 0.000 1.908 535 A HA -0.193 4.134 4.320 0.011 0.000 0.218 535 A C 2.536 180.091 177.584 -0.048 0.000 1.181 535 A CA 1.819 53.831 52.037 -0.041 0.000 0.627 535 A CB -0.682 18.299 19.000 -0.031 0.000 0.818 535 A HN 0.416 nan 8.150 nan 0.000 0.445 536 A N -0.467 122.327 122.820 -0.044 0.000 1.898 536 A HA -0.002 4.325 4.320 0.011 0.000 0.216 536 A C 2.191 179.739 177.584 -0.060 0.000 1.181 536 A CA 1.397 53.408 52.037 -0.044 0.000 0.620 536 A CB -0.543 18.436 19.000 -0.035 0.000 0.819 536 A HN 0.470 nan 8.150 nan 0.000 0.442 537 L N -0.809 120.372 121.223 -0.070 0.000 1.976 537 L HA -0.193 4.154 4.340 0.011 0.000 0.209 537 L C 2.882 179.670 176.870 -0.137 0.000 1.071 537 L CA 1.987 56.769 54.840 -0.096 0.000 0.746 537 L CB -0.899 41.104 42.059 -0.093 0.000 0.890 537 L HN 0.365 nan 8.230 nan 0.000 0.432 538 T N -1.038 113.438 114.554 -0.131 0.000 2.653 538 T HA -0.288 4.069 4.350 0.011 0.000 0.268 538 T C 1.744 176.355 174.700 -0.148 0.000 1.035 538 T CA 1.903 63.907 62.100 -0.160 0.000 1.154 538 T CB -0.241 68.560 68.868 -0.111 0.000 0.862 538 T HN 0.243 nan 8.240 nan 0.000 0.441 539 E N 0.180 120.321 120.200 -0.098 0.000 2.204 539 E HA -0.088 4.268 4.350 0.011 0.000 0.194 539 E C 2.236 178.793 176.600 -0.072 0.000 0.989 539 E CA 0.763 57.119 56.400 -0.074 0.000 0.824 539 E CB -0.809 28.862 29.700 -0.050 0.000 0.756 539 E HN 0.547 nan 8.360 nan 0.000 0.477 540 C N -0.414 118.838 119.300 -0.081 0.000 2.475 540 C HA 0.276 4.742 4.460 0.011 0.000 0.279 540 C C 2.703 177.651 174.990 -0.070 0.000 1.322 540 C CA 1.062 60.044 59.018 -0.059 0.000 1.734 540 C CB -1.234 26.476 27.740 -0.051 0.000 2.005 540 C HN 0.532 nan 8.230 nan 0.000 0.495 541 A N 0.518 123.235 122.820 -0.171 0.000 1.933 541 A HA 0.114 4.440 4.320 0.011 0.000 0.218 541 A C 2.427 179.921 177.584 -0.149 0.000 1.175 541 A CA 2.261 54.120 52.037 -0.297 0.000 0.628 541 A CB -0.970 17.506 19.000 -0.874 0.000 0.814 541 A HN 0.822 nan 8.150 nan 0.000 0.444 542 A N -0.742 121.998 122.820 -0.134 0.000 1.855 542 A HA 0.248 4.575 4.320 0.011 0.000 0.213 542 A C 2.601 180.176 177.584 -0.016 0.000 1.195 542 A CA 2.091 54.091 52.037 -0.063 0.000 0.610 542 A CB -1.186 17.773 19.000 -0.069 0.000 0.837 542 A HN 0.810 nan 8.150 nan 0.000 0.444 543 S N -1.721 113.966 115.700 -0.021 0.000 2.387 543 S HA 0.295 4.771 4.470 0.011 0.000 0.226 543 S C 2.066 176.672 174.600 0.010 0.000 1.026 543 S CA 1.841 60.038 58.200 -0.005 0.000 0.972 543 S CB -0.598 62.596 63.200 -0.010 0.000 0.814 543 S HN 2.010 nan 8.310 nan 0.000 0.477 544 G N 0.626 109.436 108.800 0.017 0.000 2.179 544 G HA2 -0.181 3.786 3.960 0.011 0.000 0.260 544 G HA3 -0.181 3.786 3.960 0.011 0.000 0.260 544 G C -0.455 174.458 174.900 0.022 0.000 0.977 544 G CA 0.308 45.426 45.100 0.030 0.000 0.641 544 G HN 0.545 nan 8.290 nan 0.000 0.533 545 D N 1.191 121.598 120.400 0.012 0.000 2.308 545 D HA 0.555 5.202 4.640 0.011 0.000 0.251 545 D C 0.934 177.242 176.300 0.013 0.000 1.127 545 D CA 1.428 55.435 54.000 0.013 0.000 0.876 545 D CB 0.917 41.721 40.800 0.008 0.000 1.176 545 D HN 1.453 nan 8.370 nan 0.000 0.446 546 G N 1.996 110.810 108.800 0.023 0.000 2.661 546 G HA2 -0.171 3.796 3.960 0.011 0.000 0.685 546 G HA3 -0.171 3.796 3.960 0.011 0.000 0.685 546 G C -0.684 174.238 174.900 0.037 0.000 1.298 546 G CA -0.952 44.165 45.100 0.029 0.000 0.855 546 G HN 0.591 nan 8.290 nan 0.000 0.560 547 N N -0.245 118.485 118.700 0.049 0.000 2.408 547 N HA 0.408 5.154 4.740 0.011 0.000 0.280 547 N C 1.731 177.243 175.510 0.002 0.000 1.002 547 N CA -0.584 52.498 53.050 0.055 0.000 0.907 547 N CB 1.357 39.922 38.487 0.131 0.000 1.161 547 N HN 0.450 nan 8.380 nan 0.000 0.488 548 I N 2.551 123.112 120.570 -0.015 0.000 2.226 548 I HA -0.260 3.917 4.170 0.011 0.000 0.245 548 I C 2.082 178.137 176.117 -0.103 0.000 1.100 548 I CA 0.806 62.078 61.300 -0.048 0.000 1.374 548 I CB 0.009 37.994 38.000 -0.025 0.000 1.057 548 I HN 0.514 nan 8.210 nan 0.000 0.413 549 L N 1.127 122.256 121.223 -0.157 0.000 2.056 549 L HA -0.074 4.273 4.340 0.011 0.000 0.207 549 L C 2.573 179.183 176.870 -0.434 0.000 1.078 549 L CA 2.034 56.682 54.840 -0.320 0.000 0.749 549 L CB -0.908 40.882 42.059 -0.449 0.000 0.901 549 L HN 0.171 nan 8.230 nan 0.000 0.433 550 A N -0.285 122.321 122.820 -0.357 0.000 1.917 550 A HA -0.223 4.104 4.320 0.011 0.000 0.219 550 A C 2.273 179.786 177.584 -0.118 0.000 1.182 550 A CA 2.331 54.261 52.037 -0.178 0.000 0.633 550 A CB -1.002 18.054 19.000 0.093 0.000 0.819 550 A HN 0.525 nan 8.150 nan 0.000 0.448 551 L N -1.154 120.014 121.223 -0.092 0.000 2.156 551 L HA -0.099 4.248 4.340 0.011 0.000 0.208 551 L C 3.033 179.852 176.870 -0.086 0.000 1.095 551 L CA 0.798 55.596 54.840 -0.070 0.000 0.770 551 L CB -0.478 41.547 42.059 -0.056 0.000 0.914 551 L HN 0.428 nan 8.230 nan 0.000 0.439 552 A N -0.267 122.484 122.820 -0.115 0.000 1.933 552 A HA -0.131 4.196 4.320 0.011 0.000 0.218 552 A C 2.353 179.873 177.584 -0.106 0.000 1.175 552 A CA 1.481 53.455 52.037 -0.104 0.000 0.628 552 A CB -0.715 18.216 19.000 -0.113 0.000 0.814 552 A HN 0.176 nan 8.150 nan 0.000 0.444 553 V N 0.675 120.502 119.914 -0.145 0.000 2.332 553 V HA -0.263 3.863 4.120 0.011 0.000 0.248 553 V C 2.172 178.221 176.094 -0.075 0.000 1.055 553 V CA 2.372 64.600 62.300 -0.120 0.000 1.038 553 V CB -0.753 30.983 31.823 -0.145 0.000 0.651 553 V HN 0.510 nan 8.190 nan 0.000 0.450 554 D N 0.253 120.613 120.400 -0.066 0.000 2.117 554 D HA -0.119 4.528 4.640 0.011 0.000 0.197 554 D C 2.215 178.492 176.300 -0.040 0.000 0.987 554 D CA 1.637 55.609 54.000 -0.045 0.000 0.829 554 D CB -0.309 40.468 40.800 -0.038 0.000 0.961 554 D HN 0.453 nan 8.370 nan 0.000 0.460 555 A N 0.460 123.253 122.820 -0.045 0.000 1.873 555 A HA -0.161 4.165 4.320 0.011 0.000 0.215 555 A C 2.325 179.891 177.584 -0.030 0.000 1.186 555 A CA 2.074 54.089 52.037 -0.036 0.000 0.616 555 A CB -0.770 18.206 19.000 -0.040 0.000 0.823 555 A HN 0.233 nan 8.150 nan 0.000 0.442 556 S N -0.456 115.222 115.700 -0.036 0.000 2.359 556 S HA -0.249 4.228 4.470 0.011 0.000 0.224 556 S C 2.242 176.830 174.600 -0.020 0.000 1.035 556 S CA 1.704 59.888 58.200 -0.026 0.000 1.018 556 S CB -0.437 62.745 63.200 -0.030 0.000 0.876 556 S HN 0.603 nan 8.310 nan 0.000 0.448 557 R N 0.550 121.033 120.500 -0.028 0.000 2.105 557 R HA -0.059 4.288 4.340 0.011 0.000 0.239 557 R C 2.069 178.359 176.300 -0.017 0.000 1.135 557 R CA 1.449 57.535 56.100 -0.024 0.000 0.967 557 R CB -0.647 29.635 30.300 -0.029 0.000 0.861 557 R HN 0.481 nan 8.270 nan 0.000 0.442 558 A N 0.705 123.515 122.820 -0.018 0.000 2.235 558 A HA 0.025 4.352 4.320 0.011 0.000 0.208 558 A C 0.229 177.807 177.584 -0.010 0.000 1.172 558 A CA 0.362 52.390 52.037 -0.014 0.000 0.786 558 A CB 0.039 19.029 19.000 -0.016 0.000 0.804 558 A HN 0.408 nan 8.150 nan 0.000 0.479 559 R N -2.396 118.099 120.500 -0.008 0.000 3.776 559 R HA -0.151 4.196 4.340 0.011 0.000 0.312 559 R C -0.140 176.158 176.300 -0.003 0.000 1.181 559 R CA 0.718 56.817 56.100 -0.003 0.000 0.836 559 R CB -3.569 26.731 30.300 -0.000 0.000 1.324 559 R HN 0.529 nan 8.270 nan 0.000 0.501 560 C N 1.489 120.785 119.300 -0.007 0.000 2.703 560 C HA 0.262 4.729 4.460 0.011 0.000 0.411 560 C C 2.004 176.992 174.990 -0.003 0.000 1.290 560 C CA 0.413 59.426 59.018 -0.007 0.000 2.054 560 C CB 0.818 28.550 27.740 -0.014 0.000 2.732 560 C HN 0.578 nan 8.230 nan 0.000 0.650 561 T N -0.373 114.181 114.554 0.000 0.000 2.881 561 T HA 0.318 4.675 4.350 0.011 0.000 0.278 561 T C 1.001 175.699 174.700 -0.002 0.000 0.982 561 T CA -0.696 61.406 62.100 0.005 0.000 0.989 561 T CB 0.798 69.673 68.868 0.013 0.000 1.058 561 T HN 0.364 nan 8.240 nan 0.000 0.529 562 V N 1.925 121.836 119.914 -0.004 0.000 2.392 562 V HA -0.034 4.093 4.120 0.011 0.000 0.249 562 V C 2.843 178.922 176.094 -0.026 0.000 1.059 562 V CA 2.408 64.694 62.300 -0.023 0.000 1.051 562 V CB -1.532 30.271 31.823 -0.033 0.000 0.658 562 V HN 1.110 nan 8.190 nan 0.000 0.455 563 G N -0.518 108.279 108.800 -0.005 0.000 2.421 563 G HA2 -0.222 3.744 3.960 0.011 0.000 0.216 563 G HA3 -0.222 3.744 3.960 0.011 0.000 0.216 563 G C 1.455 176.356 174.900 0.002 0.000 1.171 563 G CA 0.865 45.967 45.100 0.003 0.000 0.775 563 G HN 0.560 nan 8.290 nan 0.000 0.543 564 E N 0.069 120.273 120.200 0.006 0.000 2.051 564 E HA -0.080 4.277 4.350 0.011 0.000 0.192 564 E C 2.519 179.118 176.600 -0.003 0.000 0.991 564 E CA 0.758 57.160 56.400 0.003 0.000 0.799 564 E CB -0.182 29.518 29.700 0.001 0.000 0.748 564 E HN 0.469 nan 8.360 nan 0.000 0.449 565 I N 1.033 121.599 120.570 -0.007 0.000 2.208 565 I HA -0.284 3.893 4.170 0.011 0.000 0.245 565 I C 2.400 178.530 176.117 0.021 0.000 1.097 565 I CA 1.232 62.527 61.300 -0.008 0.000 1.363 565 I CB -0.378 37.612 38.000 -0.016 0.000 1.051 565 I HN 0.130 nan 8.210 nan 0.000 0.413 566 T N -0.072 114.500 114.554 0.029 0.000 2.708 566 T HA -0.178 4.178 4.350 0.011 0.000 0.266 566 T C 1.506 176.269 174.700 0.106 0.000 1.037 566 T CA 1.610 63.762 62.100 0.087 0.000 1.146 566 T CB -0.311 68.521 68.868 -0.059 0.000 0.865 566 T HN 0.293 nan 8.240 nan 0.000 0.435 567 D N 1.290 121.712 120.400 0.035 0.000 2.144 567 D HA 0.043 4.690 4.640 0.011 0.000 0.200 567 D C 2.292 178.606 176.300 0.022 0.000 0.978 567 D CA 1.032 55.054 54.000 0.037 0.000 0.833 567 D CB -0.479 40.335 40.800 0.023 0.000 0.961 567 D HN 0.396 nan 8.370 nan 0.000 0.470 568 A N 0.222 123.039 122.820 -0.005 0.000 1.972 568 A HA -0.096 4.231 4.320 0.011 0.000 0.219 568 A C 2.262 179.778 177.584 -0.113 0.000 1.169 568 A CA 0.863 52.869 52.037 -0.050 0.000 0.635 568 A CB -0.520 18.447 19.000 -0.055 0.000 0.810 568 A HN 0.220 nan 8.150 nan 0.000 0.446 569 L N -1.445 119.719 121.223 -0.098 0.000 2.162 569 L HA -0.044 4.303 4.340 0.011 0.000 0.205 569 L C 2.457 179.210 176.870 -0.194 0.000 1.086 569 L CA 1.008 55.672 54.840 -0.293 0.000 0.778 569 L CB -0.342 41.546 42.059 -0.284 0.000 0.928 569 L HN 0.273 nan 8.230 nan 0.000 0.446 570 K N 0.420 120.927 120.400 0.179 0.000 2.113 570 K HA -0.229 4.097 4.320 0.011 0.000 0.208 570 K C 2.087 178.737 176.600 0.083 0.000 1.047 570 K CA 1.444 57.885 56.287 0.257 0.000 0.928 570 K CB -0.027 32.592 32.500 0.199 0.000 0.716 570 K HN 0.186 nan 8.250 nan 0.000 0.446 571 K N 0.147 120.543 120.400 -0.006 0.000 2.059 571 K HA -0.204 4.123 4.320 0.011 0.000 0.212 571 K C 2.002 178.568 176.600 -0.056 0.000 1.050 571 K CA 1.880 58.148 56.287 -0.032 0.000 0.927 571 K CB -0.120 32.344 32.500 -0.060 0.000 0.714 571 K HN 0.018 nan 8.250 nan 0.000 0.447 572 V N -0.013 119.798 119.914 -0.172 0.000 2.374 572 V HA -0.128 3.999 4.120 0.011 0.000 0.241 572 V C 1.935 178.025 176.094 -0.006 0.000 1.034 572 V CA 1.328 63.519 62.300 -0.183 0.000 1.037 572 V CB -0.392 31.182 31.823 -0.414 0.000 0.682 572 V HN 0.109 nan 8.190 nan 0.000 0.463 573 F N 1.007 120.945 119.950 -0.021 0.000 2.367 573 F HA 0.444 4.978 4.527 0.011 0.000 0.298 573 F C 1.692 177.562 175.800 0.117 0.000 1.094 573 F CA 0.482 58.485 58.000 0.006 0.000 1.409 573 F CB -1.226 37.699 39.000 -0.124 0.000 1.064 573 F HN 0.309 nan 8.300 nan 0.000 0.528 574 G N 0.459 109.452 108.800 0.322 0.000 2.741 574 G HA2 -0.225 3.742 3.960 0.011 0.000 0.222 574 G HA3 -0.225 3.742 3.960 0.011 0.000 0.222 574 G C -0.428 174.664 174.900 0.320 0.000 1.364 574 G CA -0.631 44.620 45.100 0.252 0.000 0.866 574 G HN 0.262 nan 8.290 nan 0.000 0.555 575 E N -0.395 119.935 120.200 0.218 0.000 2.212 575 E HA 0.453 4.810 4.350 0.011 0.000 0.270 575 E C -0.270 176.464 176.600 0.224 0.000 0.956 575 E CA -0.884 55.639 56.400 0.206 0.000 0.825 575 E CB 1.563 31.350 29.700 0.146 0.000 1.167 575 E HN 0.621 nan 8.360 nan 0.000 0.400 576 H N 1.035 120.201 119.070 0.160 0.000 2.803 576 H HA 0.245 4.808 4.556 0.012 0.000 0.330 576 H C -0.588 174.797 175.328 0.095 0.000 1.057 576 H CA 0.251 56.343 56.048 0.073 0.000 1.458 576 H CB 0.364 30.109 29.762 -0.029 0.000 1.470 576 H HN 0.469 nan 8.280 nan 0.000 0.560 577 K N 3.750 123.842 120.400 -0.514 0.000 2.367 577 K HA 0.746 5.073 4.320 0.011 0.000 0.263 577 K C -0.312 175.901 176.600 -0.644 0.000 1.000 577 K CA -0.356 55.700 56.287 -0.384 0.000 0.891 577 K CB 0.561 32.962 32.500 -0.164 0.000 1.117 577 K HN 0.942 nan 8.250 nan 0.000 0.443 578 A N 1.232 123.796 122.820 -0.428 0.000 2.409 578 A HA 0.596 4.922 4.320 0.011 0.000 0.262 578 A C 0.530 178.051 177.584 -0.105 0.000 1.113 578 A CA 0.217 52.121 52.037 -0.222 0.000 0.790 578 A CB -0.357 18.657 19.000 0.023 0.000 1.046 578 A HN 1.512 nan 8.150 nan 0.000 0.496 579 N N 0.658 119.315 118.700 -0.071 0.000 2.576 579 N HA 0.591 5.338 4.740 0.011 0.000 0.269 579 N C 0.027 175.531 175.510 -0.011 0.000 1.058 579 N CA 0.811 53.840 53.050 -0.035 0.000 0.860 579 N CB 0.767 39.230 38.487 -0.040 0.000 1.249 579 N HN 1.950 nan 8.380 nan 0.000 0.525 580 D N -2.273 118.129 120.400 0.005 0.000 3.087 580 D HA 0.250 4.897 4.640 0.011 0.000 0.208 580 D C 0.640 176.942 176.300 0.002 0.000 1.030 580 D CA 1.087 55.088 54.000 0.002 0.000 0.976 580 D CB -2.377 38.418 40.800 -0.009 0.000 1.063 580 D HN 1.650 nan 8.370 nan 0.000 0.443 581 R N -0.990 119.513 120.500 0.005 0.000 2.538 581 R HA 0.838 5.184 4.340 0.011 0.000 0.282 581 R C 0.960 177.267 176.300 0.012 0.000 1.009 581 R CA 1.259 57.364 56.100 0.008 0.000 1.063 581 R CB -0.894 29.411 30.300 0.009 0.000 0.945 581 R HN 2.226 nan 8.270 nan 0.000 0.414 582 M N 2.403 122.011 119.600 0.013 0.000 2.277 582 M HA 0.601 5.087 4.480 0.011 0.000 0.350 582 M C 0.395 176.709 176.300 0.023 0.000 1.180 582 M CA -0.820 54.489 55.300 0.015 0.000 1.103 582 M CB 0.846 33.454 32.600 0.014 0.000 1.577 582 M HN 0.737 nan 8.290 nan 0.000 0.459 583 V N 2.855 122.785 119.914 0.026 0.000 2.740 583 V HA 0.541 4.668 4.120 0.011 0.000 0.303 583 V C 0.789 176.909 176.094 0.043 0.000 1.054 583 V CA -0.076 62.246 62.300 0.037 0.000 1.106 583 V CB 0.960 32.808 31.823 0.042 0.000 0.957 583 V HN 1.099 nan 8.190 nan 0.000 0.486 584 S N 2.352 118.082 115.700 0.050 0.000 2.619 584 S HA 0.621 5.098 4.470 0.011 0.000 0.280 584 S C 0.628 175.267 174.600 0.065 0.000 1.150 584 S CA 0.447 58.680 58.200 0.055 0.000 0.978 584 S CB 1.207 64.434 63.200 0.045 0.000 1.041 584 S HN 1.843 nan 8.310 nan 0.000 0.485 585 G N 3.307 112.155 108.800 0.081 0.000 2.267 585 G HA2 -0.318 3.648 3.960 0.011 0.000 0.257 585 G HA3 -0.318 3.648 3.960 0.011 0.000 0.257 585 G C 1.207 176.169 174.900 0.103 0.000 0.998 585 G CA 0.737 45.889 45.100 0.087 0.000 0.620 585 G HN 1.506 nan 8.290 nan 0.000 0.529 586 A N -0.417 122.468 122.820 0.109 0.000 1.902 586 A HA 0.162 4.488 4.320 0.011 0.000 0.217 586 A C 1.935 179.604 177.584 0.141 0.000 1.181 586 A CA 2.191 54.291 52.037 0.105 0.000 0.623 586 A CB -0.537 18.519 19.000 0.093 0.000 0.818 586 A HN 1.213 nan 8.150 nan 0.000 0.443 587 Y N 0.142 120.483 120.300 0.067 0.000 2.114 587 Y HA -0.213 4.343 4.550 0.011 0.000 0.284 587 Y C 2.594 178.571 175.900 0.129 0.000 1.143 587 Y CA 2.304 60.464 58.100 0.100 0.000 1.135 587 Y CB -0.305 38.207 38.460 0.087 0.000 0.980 587 Y HN 0.269 nan 8.280 nan 0.000 0.499 588 R N -0.062 120.563 120.500 0.208 0.000 2.081 588 R HA -0.231 4.116 4.340 0.011 0.000 0.235 588 R C 2.511 178.850 176.300 0.066 0.000 1.131 588 R CA 1.915 58.075 56.100 0.100 0.000 0.960 588 R CB -0.483 29.876 30.300 0.098 0.000 0.856 588 R HN 0.572 nan 8.270 nan 0.000 0.436 589 Q N 0.823 120.661 119.800 0.063 0.000 2.050 589 Q HA -0.212 4.134 4.340 0.011 0.000 0.202 589 Q C 1.789 177.810 176.000 0.035 0.000 0.980 589 Q CA 1.924 57.755 55.803 0.048 0.000 0.840 589 Q CB -0.639 28.124 28.738 0.042 0.000 0.898 589 Q HN 0.524 nan 8.270 nan 0.000 0.424 590 E N -0.959 119.249 120.200 0.013 0.000 2.268 590 E HA -0.037 4.319 4.350 0.011 0.000 0.195 590 E C 1.443 178.016 176.600 -0.044 0.000 0.995 590 E CA 0.724 57.111 56.400 -0.021 0.000 0.836 590 E CB -0.446 29.230 29.700 -0.040 0.000 0.763 590 E HN 0.669 nan 8.360 nan 0.000 0.491 591 F N -0.617 119.213 119.950 -0.201 0.000 2.043 591 F HA -0.133 4.401 4.527 0.011 0.000 0.297 591 F C 1.815 177.554 175.800 -0.102 0.000 1.121 591 F CA 2.190 60.063 58.000 -0.212 0.000 1.199 591 F CB -0.442 38.408 39.000 -0.250 0.000 0.968 591 F HN 0.144 nan 8.300 nan 0.000 0.478 592 G N -1.884 106.994 108.800 0.130 0.000 2.613 592 G HA2 0.243 4.210 3.960 0.011 0.000 0.218 592 G HA3 0.243 4.210 3.960 0.011 0.000 0.218 592 G C 0.129 175.154 174.900 0.208 0.000 1.508 592 G CA 0.300 45.508 45.100 0.181 0.000 0.788 592 G HN 0.393 nan 8.290 nan 0.000 0.603 593 E N -0.221 120.057 120.200 0.130 0.000 2.324 593 E HA 0.544 4.900 4.350 0.011 0.000 0.271 593 E C -0.215 176.467 176.600 0.137 0.000 1.028 593 E CA 0.108 56.569 56.400 0.101 0.000 0.890 593 E CB 0.807 30.543 29.700 0.061 0.000 1.004 593 E HN 0.906 nan 8.360 nan 0.000 0.431 594 S N 0.505 116.271 115.700 0.110 0.000 2.560 594 S HA 0.538 5.014 4.470 0.011 0.000 0.283 594 S C 0.874 175.507 174.600 0.055 0.000 1.141 594 S CA 0.395 58.670 58.200 0.125 0.000 0.902 594 S CB 1.059 64.413 63.200 0.257 0.000 1.104 594 S HN 1.083 nan 8.310 nan 0.000 0.454 595 K N 2.504 122.937 120.400 0.055 0.000 2.217 595 K HA 0.123 4.449 4.320 0.011 0.000 0.202 595 K C 1.643 178.254 176.600 0.017 0.000 1.051 595 K CA 1.693 57.998 56.287 0.031 0.000 0.952 595 K CB -0.812 31.707 32.500 0.032 0.000 0.736 595 K HN 0.801 nan 8.250 nan 0.000 0.453 596 E N -0.189 120.028 120.200 0.028 0.000 2.046 596 E HA -0.112 4.245 4.350 0.011 0.000 0.190 596 E C 2.359 178.921 176.600 -0.064 0.000 0.982 596 E CA 1.347 57.750 56.400 0.005 0.000 0.800 596 E CB -0.423 29.308 29.700 0.051 0.000 0.756 596 E HN 0.455 nan 8.360 nan 0.000 0.449 597 I N 0.761 121.254 120.570 -0.129 0.000 2.208 597 I HA -0.252 3.924 4.170 0.011 0.000 0.245 597 I C 2.537 178.586 176.117 -0.113 0.000 1.097 597 I CA 2.528 63.701 61.300 -0.211 0.000 1.363 597 I CB -1.757 36.060 38.000 -0.305 0.000 1.051 597 I HN 0.217 nan 8.210 nan 0.000 0.413 598 T N 0.740 115.260 114.554 -0.058 0.000 2.777 598 T HA -0.005 4.351 4.350 0.011 0.000 0.266 598 T C 2.522 177.209 174.700 -0.021 0.000 1.040 598 T CA 1.842 63.928 62.100 -0.024 0.000 1.141 598 T CB -0.800 68.068 68.868 0.001 0.000 0.868 598 T HN 0.935 nan 8.240 nan 0.000 0.444 599 S N 1.060 116.747 115.700 -0.022 0.000 2.447 599 S HA 0.315 4.792 4.470 0.011 0.000 0.233 599 S C 2.266 176.844 174.600 -0.036 0.000 1.006 599 S CA 1.251 59.441 58.200 -0.017 0.000 0.957 599 S CB -0.530 62.666 63.200 -0.007 0.000 0.773 599 S HN 0.536 nan 8.310 nan 0.000 0.507 600 A N 1.044 123.825 122.820 -0.065 0.000 1.874 600 A HA 0.224 4.551 4.320 0.011 0.000 0.214 600 A C 2.113 179.624 177.584 -0.121 0.000 1.189 600 A CA 1.002 52.983 52.037 -0.093 0.000 0.615 600 A CB -0.423 18.502 19.000 -0.125 0.000 0.830 600 A HN 0.503 nan 8.150 nan 0.000 0.443 601 I N 0.289 120.785 120.570 -0.124 0.000 2.226 601 I HA -0.267 3.910 4.170 0.011 0.000 0.245 601 I C 3.074 179.077 176.117 -0.190 0.000 1.100 601 I CA 1.776 62.965 61.300 -0.184 0.000 1.374 601 I CB -0.326 37.616 38.000 -0.097 0.000 1.057 601 I HN 0.426 nan 8.210 nan 0.000 0.413 602 K N 0.501 120.885 120.400 -0.026 0.000 2.148 602 K HA -0.107 4.220 4.320 0.011 0.000 0.204 602 K C 2.180 178.791 176.600 0.018 0.000 1.050 602 K CA 0.891 57.218 56.287 0.066 0.000 0.942 602 K CB -0.653 31.884 32.500 0.061 0.000 0.724 602 K HN 0.173 nan 8.250 nan 0.000 0.446 603 R N 0.233 120.712 120.500 -0.035 0.000 2.075 603 R HA -0.034 4.313 4.340 0.011 0.000 0.232 603 R C 2.252 178.520 176.300 -0.053 0.000 1.126 603 R CA 1.532 57.613 56.100 -0.030 0.000 0.963 603 R CB -0.685 29.589 30.300 -0.044 0.000 0.858 603 R HN 0.336 nan 8.270 nan 0.000 0.435 604 V N -0.067 119.751 119.914 -0.160 0.000 2.358 604 V HA -0.223 3.904 4.120 0.011 0.000 0.246 604 V C 1.851 177.870 176.094 -0.125 0.000 1.047 604 V CA 1.819 63.972 62.300 -0.245 0.000 1.035 604 V CB -0.631 30.946 31.823 -0.410 0.000 0.658 604 V HN 0.442 nan 8.190 nan 0.000 0.452 605 H N 0.458 119.515 119.070 -0.023 0.000 2.421 605 H HA -0.110 4.452 4.556 0.011 0.000 0.298 605 H C 2.326 177.660 175.328 0.009 0.000 1.087 605 H CA 1.659 57.704 56.048 -0.005 0.000 1.330 605 H CB -0.041 29.714 29.762 -0.011 0.000 1.388 605 H HN 0.504 nan 8.280 nan 0.000 0.526 606 K N 1.022 121.492 120.400 0.118 0.000 2.097 606 K HA -0.125 4.202 4.320 0.011 0.000 0.205 606 K C 1.791 178.433 176.600 0.071 0.000 1.050 606 K CA 1.354 57.686 56.287 0.076 0.000 0.938 606 K CB -1.200 31.335 32.500 0.057 0.000 0.718 606 K HN 0.350 nan 8.250 nan 0.000 0.442 607 F N 1.775 121.684 119.950 -0.068 0.000 2.075 607 F HA -0.140 4.393 4.527 0.011 0.000 0.297 607 F C 2.483 178.235 175.800 -0.081 0.000 1.113 607 F CA 2.531 60.473 58.000 -0.097 0.000 1.218 607 F CB -0.116 38.781 39.000 -0.171 0.000 0.984 607 F HN 0.251 nan 8.300 nan 0.000 0.472 608 M N -0.109 119.551 119.600 0.100 0.000 2.394 608 M HA 0.070 4.557 4.480 0.011 0.000 0.264 608 M C 1.786 178.058 176.300 -0.046 0.000 1.073 608 M CA 1.686 56.997 55.300 0.017 0.000 1.111 608 M CB -1.481 31.189 32.600 0.116 0.000 1.401 608 M HN 0.207 nan 8.290 nan 0.000 0.448 609 E N 2.521 122.706 120.200 -0.025 0.000 2.031 609 E HA -0.211 4.146 4.350 0.011 0.000 0.193 609 E C 2.137 178.684 176.600 -0.088 0.000 0.994 609 E CA 1.880 58.257 56.400 -0.038 0.000 0.800 609 E CB -0.781 28.911 29.700 -0.014 0.000 0.752 609 E HN 0.746 nan 8.360 nan 0.000 0.447 610 R N -0.126 120.292 120.500 -0.135 0.000 2.066 610 R HA -0.114 4.233 4.340 0.011 0.000 0.232 610 R C 2.022 178.186 176.300 -0.227 0.000 1.131 610 R CA 1.644 57.644 56.100 -0.166 0.000 0.955 610 R CB 0.017 30.213 30.300 -0.174 0.000 0.851 610 R HN 0.357 nan 8.270 nan 0.000 0.432 611 E N -0.729 119.237 120.200 -0.390 0.000 2.442 611 E HA 0.049 4.406 4.350 0.011 0.000 0.195 611 E C 0.896 177.375 176.600 -0.201 0.000 1.030 611 E CA 0.763 56.924 56.400 -0.398 0.000 0.869 611 E CB 0.638 29.829 29.700 -0.849 0.000 0.857 611 E HN 0.654 nan 8.360 nan 0.000 0.505 612 G N 2.693 111.404 108.800 -0.149 0.000 2.153 612 G HA2 -0.326 3.641 3.960 0.011 0.000 0.252 612 G HA3 -0.326 3.641 3.960 0.011 0.000 0.252 612 G C 0.219 175.109 174.900 -0.017 0.000 0.994 612 G CA 0.816 45.879 45.100 -0.063 0.000 0.698 612 G HN 0.359 nan 8.290 nan 0.000 0.521 613 R N -1.924 118.574 120.500 -0.003 0.000 2.664 613 R HA 0.596 4.943 4.340 0.011 0.000 0.266 613 R C -0.404 175.996 176.300 0.168 0.000 1.046 613 R CA -1.218 54.933 56.100 0.086 0.000 0.885 613 R CB 1.040 31.416 30.300 0.126 0.000 1.254 613 R HN 0.123 nan 8.270 nan 0.000 0.465 614 R N 1.799 122.391 120.500 0.152 0.000 2.590 614 R HA 0.176 4.523 4.340 0.011 0.000 0.274 614 R C -1.952 174.451 176.300 0.171 0.000 1.061 614 R CA -1.218 54.954 56.100 0.121 0.000 1.081 614 R CB 0.480 30.816 30.300 0.059 0.000 0.984 614 R HN 0.423 nan 8.270 nan 0.000 0.448 615 P HA 0.041 nan 4.420 nan 0.000 0.271 615 P C -1.058 176.282 177.300 0.067 0.000 1.220 615 P CA 0.140 63.053 63.100 -0.311 0.000 0.768 615 P CB 0.703 31.679 31.700 -1.207 0.000 0.848 616 R N 3.127 123.894 120.500 0.445 0.000 2.393 616 R HA 0.574 4.921 4.340 0.011 0.000 0.315 616 R C -1.382 175.102 176.300 0.306 0.000 0.952 616 R CA -0.885 55.423 56.100 0.345 0.000 0.842 616 R CB 0.680 31.122 30.300 0.236 0.000 1.163 616 R HN 0.347 nan 8.270 nan 0.000 0.450 617 L N 5.458 126.822 121.223 0.235 0.000 2.381 617 L HA 0.454 4.801 4.340 0.011 0.000 0.274 617 L C -1.710 175.173 176.870 0.021 0.000 0.988 617 L CA -0.870 54.038 54.840 0.113 0.000 0.824 617 L CB 1.719 43.797 42.059 0.032 0.000 1.263 617 L HN 0.629 nan 8.230 nan 0.000 0.410 618 L N 6.441 127.662 121.223 -0.004 0.000 2.260 618 L HA 0.528 4.875 4.340 0.011 0.000 0.289 618 L C -0.935 175.887 176.870 -0.080 0.000 1.057 618 L CA 0.051 54.871 54.840 -0.032 0.000 0.811 618 L CB 1.195 43.244 42.059 -0.017 0.000 1.184 618 L HN 0.425 nan 8.230 nan 0.000 0.429 619 V N 5.880 125.729 119.914 -0.107 0.000 2.333 619 V HA 0.825 4.952 4.120 0.011 0.000 0.274 619 V C 0.279 176.316 176.094 -0.096 0.000 1.028 619 V CA -0.078 62.138 62.300 -0.139 0.000 0.851 619 V CB 0.598 32.304 31.823 -0.194 0.000 1.000 619 V HN 0.968 nan 8.190 nan 0.000 0.456 620 A N 5.823 128.595 122.820 -0.080 0.000 2.449 620 A HA 0.821 5.148 4.320 0.011 0.000 0.302 620 A C -0.665 176.887 177.584 -0.054 0.000 1.048 620 A CA -0.896 51.104 52.037 -0.062 0.000 0.708 620 A CB 1.758 20.731 19.000 -0.045 0.000 1.274 620 A HN 0.547 nan 8.150 nan 0.000 0.410 621 K N 1.216 121.582 120.400 -0.058 0.000 2.098 621 K HA 0.667 4.994 4.320 0.011 0.000 0.258 621 K C -0.648 175.937 176.600 -0.025 0.000 0.973 621 K CA -0.091 56.171 56.287 -0.041 0.000 0.898 621 K CB 1.537 34.000 32.500 -0.061 0.000 1.057 621 K HN 0.795 nan 8.250 nan 0.000 0.447 622 M N 0.088 119.690 119.600 0.003 0.000 2.602 622 M HA 0.399 4.885 4.480 0.011 0.000 0.312 622 M C 0.368 176.695 176.300 0.045 0.000 1.181 622 M CA -0.277 55.035 55.300 0.020 0.000 0.910 622 M CB 2.126 34.738 32.600 0.019 0.000 1.723 622 M HN 0.890 nan 8.290 nan 0.000 0.459 623 G N 1.179 110.014 108.800 0.059 0.000 2.693 623 G HA2 -0.178 3.789 3.960 0.011 0.000 0.226 623 G HA3 -0.178 3.789 3.960 0.011 0.000 0.226 623 G C -0.097 174.897 174.900 0.157 0.000 1.354 623 G CA -0.526 44.621 45.100 0.078 0.000 0.873 623 G HN 0.651 nan 8.290 nan 0.000 0.562 624 Q N 0.037 119.932 119.800 0.160 0.000 2.425 624 Q HA 0.118 4.465 4.340 0.011 0.000 0.204 624 Q C 0.927 177.094 176.000 0.279 0.000 0.933 624 Q CA 0.884 56.838 55.803 0.253 0.000 0.939 624 Q CB 0.027 28.837 28.738 0.120 0.000 1.044 624 Q HN 0.668 nan 8.270 nan 0.000 0.513 625 D N -0.454 120.056 120.400 0.184 0.000 2.389 625 D HA 0.183 4.829 4.640 0.011 0.000 0.247 625 D C 0.785 177.145 176.300 0.100 0.000 1.128 625 D CA 0.321 54.414 54.000 0.156 0.000 0.884 625 D CB 0.814 41.712 40.800 0.164 0.000 1.194 625 D HN 0.152 nan 8.370 nan 0.000 0.441 626 G N 1.856 110.667 108.800 0.019 0.000 3.735 626 G HA2 0.004 3.971 3.960 0.011 0.000 0.283 626 G HA3 0.004 3.971 3.960 0.011 0.000 0.283 626 G C -0.346 174.471 174.900 -0.140 0.000 1.007 626 G CA -0.306 44.738 45.100 -0.092 0.000 0.821 626 G HN 0.550 nan 8.290 nan 0.000 0.505 627 H N 2.047 121.125 119.070 0.012 0.000 3.291 627 H HA 0.191 4.754 4.556 0.011 0.000 0.256 627 H C 0.399 175.734 175.328 0.013 0.000 1.315 627 H CA 0.298 56.361 56.048 0.026 0.000 1.521 627 H CB 0.889 30.683 29.762 0.053 0.000 1.621 627 H HN 0.313 nan 8.280 nan 0.000 0.498 628 D N 2.113 122.551 120.400 0.063 0.000 2.469 628 D HA -0.020 4.627 4.640 0.011 0.000 0.215 628 D C 1.828 178.140 176.300 0.020 0.000 1.154 628 D CA -0.332 53.681 54.000 0.022 0.000 0.832 628 D CB -0.002 40.780 40.800 -0.031 0.000 1.008 628 D HN 0.399 nan 8.370 nan 0.000 0.506 629 R N 1.240 121.765 120.500 0.040 0.000 2.112 629 R HA -0.165 4.182 4.340 0.011 0.000 0.242 629 R C 2.108 178.425 176.300 0.029 0.000 1.137 629 R CA 2.430 58.540 56.100 0.017 0.000 0.944 629 R CB -0.838 29.462 30.300 -0.000 0.000 0.857 629 R HN 0.218 nan 8.270 nan 0.000 0.435 630 G N -0.464 108.377 108.800 0.068 0.000 2.418 630 G HA2 -0.250 3.717 3.960 0.011 0.000 0.217 630 G HA3 -0.250 3.717 3.960 0.011 0.000 0.217 630 G C 1.554 176.450 174.900 -0.005 0.000 1.158 630 G CA 0.787 45.926 45.100 0.065 0.000 0.771 630 G HN 0.538 nan 8.290 nan 0.000 0.545 631 A N 0.729 123.536 122.820 -0.022 0.000 1.902 631 A HA 0.015 4.341 4.320 0.011 0.000 0.217 631 A C 2.299 179.830 177.584 -0.089 0.000 1.181 631 A CA 1.899 53.892 52.037 -0.073 0.000 0.623 631 A CB -0.310 18.652 19.000 -0.063 0.000 0.818 631 A HN 0.374 nan 8.150 nan 0.000 0.443 632 K N -0.497 119.871 120.400 -0.054 0.000 2.155 632 K HA 0.005 4.331 4.320 0.011 0.000 0.203 632 K C 1.836 178.407 176.600 -0.048 0.000 1.052 632 K CA 1.082 57.340 56.287 -0.049 0.000 0.948 632 K CB -0.213 32.272 32.500 -0.026 0.000 0.728 632 K HN 0.312 nan 8.250 nan 0.000 0.448 633 V N 1.929 121.821 119.914 -0.036 0.000 2.307 633 V HA -0.251 3.876 4.120 0.011 0.000 0.245 633 V C 2.204 178.231 176.094 -0.111 0.000 1.045 633 V CA 1.381 63.659 62.300 -0.036 0.000 1.024 633 V CB -0.333 31.501 31.823 0.019 0.000 0.651 633 V HN 0.266 nan 8.190 nan 0.000 0.449 634 I N 0.602 121.091 120.570 -0.136 0.000 2.264 634 I HA -0.264 3.913 4.170 0.011 0.000 0.248 634 I C 2.678 178.643 176.117 -0.253 0.000 1.111 634 I CA 2.012 63.177 61.300 -0.226 0.000 1.382 634 I CB -1.608 36.179 38.000 -0.355 0.000 1.060 634 I HN 0.324 nan 8.210 nan 0.000 0.418 635 A N -0.022 122.673 122.820 -0.208 0.000 1.845 635 A HA -0.266 4.061 4.320 0.011 0.000 0.215 635 A C 2.533 180.077 177.584 -0.066 0.000 1.195 635 A CA 2.701 54.643 52.037 -0.158 0.000 0.616 635 A CB -1.250 17.684 19.000 -0.111 0.000 0.832 635 A HN 0.397 nan 8.150 nan 0.000 0.443 636 T N -1.065 113.458 114.554 -0.052 0.000 2.867 636 T HA 0.028 4.385 4.350 0.011 0.000 0.268 636 T C 1.790 176.467 174.700 -0.039 0.000 1.057 636 T CA 1.892 63.983 62.100 -0.014 0.000 1.136 636 T CB -0.585 68.290 68.868 0.012 0.000 0.874 636 T HN 0.501 nan 8.240 nan 0.000 0.466 637 G N -0.041 108.663 108.800 -0.160 0.000 2.421 637 G HA2 -0.093 3.873 3.960 0.011 0.000 0.216 637 G HA3 -0.093 3.873 3.960 0.011 0.000 0.216 637 G C 1.265 176.079 174.900 -0.144 0.000 1.171 637 G CA 0.472 45.343 45.100 -0.381 0.000 0.775 637 G HN 0.501 nan 8.290 nan 0.000 0.543 638 F N 1.895 121.659 119.950 -0.309 0.000 2.171 638 F HA 0.073 4.606 4.527 0.011 0.000 0.300 638 F C 3.017 178.793 175.800 -0.039 0.000 1.090 638 F CA 0.594 58.425 58.000 -0.282 0.000 1.293 638 F CB -0.570 38.116 39.000 -0.523 0.000 1.013 638 F HN 0.244 nan 8.300 nan 0.000 0.486 639 A N -0.170 122.738 122.820 0.148 0.000 1.940 639 A HA -0.204 4.122 4.320 0.011 0.000 0.219 639 A C 1.942 179.579 177.584 0.090 0.000 1.176 639 A CA 2.108 54.221 52.037 0.127 0.000 0.631 639 A CB -0.808 18.241 19.000 0.081 0.000 0.814 639 A HN 0.269 nan 8.150 nan 0.000 0.446 640 D N -0.103 120.333 120.400 0.059 0.000 2.219 640 D HA -0.041 4.605 4.640 0.011 0.000 0.205 640 D C 1.631 177.944 176.300 0.022 0.000 0.970 640 D CA 0.717 54.751 54.000 0.056 0.000 0.851 640 D CB -0.189 40.668 40.800 0.096 0.000 0.943 640 D HN 0.478 nan 8.370 nan 0.000 0.488 641 L N -0.956 120.264 121.223 -0.005 0.000 2.599 641 L HA 0.210 4.557 4.340 0.011 0.000 0.230 641 L C 1.355 178.192 176.870 -0.055 0.000 1.141 641 L CA 0.502 55.312 54.840 -0.051 0.000 0.877 641 L CB -0.088 41.906 42.059 -0.108 0.000 1.009 641 L HN 0.120 nan 8.230 nan 0.000 0.447 642 G N -0.547 108.261 108.800 0.014 0.000 2.148 642 G HA2 -0.244 3.723 3.960 0.011 0.000 0.203 642 G HA3 -0.244 3.723 3.960 0.011 0.000 0.203 642 G C 0.013 174.899 174.900 -0.022 0.000 0.993 642 G CA -0.675 44.406 45.100 -0.033 0.000 0.661 642 G HN 0.102 nan 8.290 nan 0.000 0.518 643 F N 1.205 121.127 119.950 -0.047 0.000 2.450 643 F HA 0.475 5.009 4.527 0.011 0.000 0.339 643 F C 0.821 176.644 175.800 0.039 0.000 1.146 643 F CA -0.154 57.851 58.000 0.008 0.000 1.267 643 F CB 0.866 39.922 39.000 0.093 0.000 1.178 643 F HN -0.004 nan 8.300 nan 0.000 0.585 644 D N 2.443 122.974 120.400 0.218 0.000 2.411 644 D HA 0.284 4.930 4.640 0.011 0.000 0.225 644 D C -1.079 175.328 176.300 0.179 0.000 1.156 644 D CA 0.016 54.113 54.000 0.162 0.000 0.874 644 D CB 0.612 41.487 40.800 0.124 0.000 1.034 644 D HN 0.101 nan 8.370 nan 0.000 0.502 645 V N 4.403 124.397 119.914 0.133 0.000 2.398 645 V HA 0.294 4.421 4.120 0.011 0.000 0.286 645 V C 0.048 176.164 176.094 0.037 0.000 1.026 645 V CA -0.865 61.483 62.300 0.079 0.000 0.868 645 V CB 1.810 33.660 31.823 0.045 0.000 0.982 645 V HN 0.415 nan 8.190 nan 0.000 0.443 646 D N 4.329 124.740 120.400 0.017 0.000 2.168 646 D HA 0.511 5.158 4.640 0.011 0.000 0.246 646 D C -0.285 175.999 176.300 -0.026 0.000 1.050 646 D CA -0.136 53.865 54.000 0.001 0.000 0.857 646 D CB 2.439 43.242 40.800 0.005 0.000 1.169 646 D HN 0.325 nan 8.370 nan 0.000 0.453 647 I N 1.320 121.874 120.570 -0.027 0.000 2.336 647 I HA 0.256 4.433 4.170 0.011 0.000 0.292 647 I C 1.145 177.238 176.117 -0.041 0.000 0.991 647 I CA -0.734 60.541 61.300 -0.043 0.000 1.227 647 I CB 1.539 39.515 38.000 -0.041 0.000 1.366 647 I HN 0.220 nan 8.210 nan 0.000 0.466 648 G N 7.712 116.482 108.800 -0.050 0.000 2.378 648 G HA2 0.344 4.311 3.960 0.011 0.000 0.255 648 G HA3 0.344 4.311 3.960 0.011 0.000 0.255 648 G C -2.428 172.434 174.900 -0.064 0.000 1.270 648 G CA -0.689 44.383 45.100 -0.048 0.000 0.876 648 G HN 0.339 nan 8.290 nan 0.000 0.521 649 P HA 0.156 nan 4.420 nan 0.000 0.272 649 P C 0.357 177.571 177.300 -0.144 0.000 1.230 649 P CA -0.440 62.614 63.100 -0.076 0.000 0.788 649 P CB 1.118 32.801 31.700 -0.029 0.000 0.949 650 L N 1.770 122.816 121.223 -0.296 0.000 2.473 650 L HA 0.087 4.434 4.340 0.011 0.000 0.268 650 L C 0.618 177.166 176.870 -0.535 0.000 1.215 650 L CA 0.045 54.484 54.840 -0.668 0.000 0.823 650 L CB -0.687 40.559 42.059 -1.355 0.000 1.099 650 L HN 0.391 nan 8.230 nan 0.000 0.483 651 F N -0.961 118.999 119.950 0.016 0.000 2.926 651 F HA -0.228 4.305 4.527 0.011 0.000 0.288 651 F C 0.584 176.390 175.800 0.011 0.000 0.756 651 F CA 0.090 58.101 58.000 0.018 0.000 1.292 651 F CB -2.371 36.655 39.000 0.044 0.000 1.482 651 F HN 0.533 nan 8.300 nan 0.000 0.400 652 Q N 0.641 120.498 119.800 0.095 0.000 2.299 652 Q HA 0.494 4.841 4.340 0.011 0.000 0.246 652 Q C 0.950 176.976 176.000 0.044 0.000 0.935 652 Q CA 0.235 56.075 55.803 0.061 0.000 0.887 652 Q CB 1.561 30.312 28.738 0.022 0.000 1.223 652 Q HN 0.399 nan 8.270 nan 0.000 0.439 653 T N -1.531 113.041 114.554 0.031 0.000 2.849 653 T HA 0.179 4.536 4.350 0.011 0.000 0.284 653 T C -1.977 172.730 174.700 0.011 0.000 1.004 653 T CA -1.754 60.355 62.100 0.015 0.000 1.021 653 T CB 0.752 69.623 68.868 0.005 0.000 1.013 653 T HN 0.257 nan 8.240 nan 0.000 0.527 654 P HA -0.131 nan 4.420 nan 0.000 0.216 654 P C 1.933 179.237 177.300 0.005 0.000 1.150 654 P CA 0.672 63.776 63.100 0.006 0.000 0.843 654 P CB 0.000 31.704 31.700 0.006 0.000 0.787 655 R N 0.146 120.649 120.500 0.005 0.000 2.075 655 R HA -0.127 4.220 4.340 0.011 0.000 0.232 655 R C 2.105 178.409 176.300 0.007 0.000 1.126 655 R CA 1.850 57.953 56.100 0.005 0.000 0.963 655 R CB -1.564 28.739 30.300 0.005 0.000 0.858 655 R HN 0.361 nan 8.270 nan 0.000 0.435 656 E N -0.488 119.717 120.200 0.009 0.000 2.072 656 E HA -0.089 4.268 4.350 0.011 0.000 0.191 656 E C 2.112 178.716 176.600 0.006 0.000 0.985 656 E CA 1.572 57.978 56.400 0.011 0.000 0.801 656 E CB -0.129 29.582 29.700 0.018 0.000 0.750 656 E HN 0.272 nan 8.360 nan 0.000 0.452 657 V N 1.258 121.174 119.914 0.004 0.000 2.358 657 V HA -0.239 3.888 4.120 0.011 0.000 0.246 657 V C 2.304 178.397 176.094 -0.001 0.000 1.047 657 V CA 1.722 64.021 62.300 -0.002 0.000 1.035 657 V CB -0.671 31.149 31.823 -0.004 0.000 0.658 657 V HN 0.319 nan 8.190 nan 0.000 0.452 658 A N -0.397 122.424 122.820 0.001 0.000 1.908 658 A HA -0.329 3.998 4.320 0.011 0.000 0.218 658 A C 2.177 179.762 177.584 0.001 0.000 1.181 658 A CA 2.377 54.415 52.037 0.001 0.000 0.627 658 A CB -0.547 18.454 19.000 0.003 0.000 0.818 658 A HN 0.541 nan 8.150 nan 0.000 0.445 659 Q N -0.421 119.380 119.800 0.002 0.000 2.046 659 Q HA -0.199 4.147 4.340 0.011 0.000 0.200 659 Q C 2.203 178.204 176.000 0.001 0.000 0.975 659 Q CA 2.260 58.064 55.803 0.003 0.000 0.836 659 Q CB -0.433 28.308 28.738 0.005 0.000 0.896 659 Q HN 0.759 nan 8.270 nan 0.000 0.428 660 Q N -0.981 118.820 119.800 0.001 0.000 2.096 660 Q HA -0.185 4.161 4.340 0.011 0.000 0.204 660 Q C 1.836 177.834 176.000 -0.003 0.000 0.982 660 Q CA 1.613 57.415 55.803 -0.001 0.000 0.850 660 Q CB -0.299 28.437 28.738 -0.003 0.000 0.901 660 Q HN 0.487 nan 8.270 nan 0.000 0.422 661 A N -0.263 122.554 122.820 -0.004 0.000 1.902 661 A HA -0.138 4.189 4.320 0.011 0.000 0.217 661 A C 2.166 179.746 177.584 -0.008 0.000 1.181 661 A CA 1.593 53.627 52.037 -0.004 0.000 0.623 661 A CB -0.626 18.373 19.000 -0.002 0.000 0.818 661 A HN 0.309 nan 8.150 nan 0.000 0.443 662 V N 0.508 120.419 119.914 -0.006 0.000 2.323 662 V HA -0.197 3.929 4.120 0.011 0.000 0.244 662 V C 2.144 178.232 176.094 -0.010 0.000 1.041 662 V CA 2.126 64.421 62.300 -0.008 0.000 1.025 662 V CB -0.868 30.953 31.823 -0.004 0.000 0.656 662 V HN 0.471 nan 8.190 nan 0.000 0.451 663 D N 0.989 121.385 120.400 -0.006 0.000 2.123 663 D HA -0.155 4.491 4.640 0.011 0.000 0.196 663 D C 2.087 178.383 176.300 -0.007 0.000 0.992 663 D CA 1.795 55.793 54.000 -0.004 0.000 0.833 663 D CB -0.337 40.462 40.800 -0.001 0.000 0.954 663 D HN 0.464 nan 8.370 nan 0.000 0.455 664 A N 0.219 123.034 122.820 -0.008 0.000 2.167 664 A HA -0.061 4.265 4.320 0.011 0.000 0.214 664 A C 0.609 178.180 177.584 -0.022 0.000 1.151 664 A CA 0.922 52.954 52.037 -0.008 0.000 0.735 664 A CB -0.079 18.920 19.000 -0.002 0.000 0.802 664 A HN 0.131 nan 8.150 nan 0.000 0.467 665 D N -0.895 119.485 120.400 -0.033 0.000 2.699 665 D HA -0.131 4.515 4.640 0.011 0.000 0.239 665 D C 0.162 176.390 176.300 -0.120 0.000 1.136 665 D CA 0.866 54.827 54.000 -0.065 0.000 0.668 665 D CB -2.080 38.684 40.800 -0.060 0.000 1.060 665 D HN 0.865 nan 8.370 nan 0.000 0.429 666 V N -2.006 117.860 119.914 -0.080 0.000 3.003 666 V HA 0.404 4.530 4.120 0.011 0.000 0.305 666 V C 1.671 177.700 176.094 -0.108 0.000 1.078 666 V CA 0.178 62.436 62.300 -0.071 0.000 1.083 666 V CB 1.216 33.046 31.823 0.011 0.000 1.039 666 V HN 0.234 nan 8.190 nan 0.000 0.481 667 H N 2.131 121.251 119.070 0.085 0.000 2.448 667 H HA 0.625 5.187 4.556 0.011 0.000 0.292 667 H C 0.862 176.236 175.328 0.077 0.000 1.035 667 H CA 1.294 57.399 56.048 0.094 0.000 1.349 667 H CB 0.318 30.152 29.762 0.120 0.000 1.425 667 H HN 1.024 nan 8.280 nan 0.000 0.539 668 A N 0.236 123.166 122.820 0.184 0.000 2.572 668 A HA 0.578 4.904 4.320 0.011 0.000 0.295 668 A C -1.426 176.191 177.584 0.054 0.000 1.072 668 A CA -0.664 51.440 52.037 0.112 0.000 0.691 668 A CB 1.425 20.499 19.000 0.123 0.000 1.291 668 A HN -0.006 nan 8.150 nan 0.000 0.404 669 V N 0.949 120.879 119.914 0.027 0.000 2.417 669 V HA 0.674 4.801 4.120 0.011 0.000 0.291 669 V C 0.739 176.819 176.094 -0.024 0.000 1.024 669 V CA -0.074 62.222 62.300 -0.007 0.000 0.861 669 V CB 1.599 33.419 31.823 -0.005 0.000 0.985 669 V HN 1.245 nan 8.190 nan 0.000 0.436 670 G N 3.593 112.350 108.800 -0.073 0.000 2.335 670 G HA2 0.618 4.585 3.960 0.011 0.000 0.314 670 G HA3 0.618 4.585 3.960 0.011 0.000 0.314 670 G C -0.574 174.279 174.900 -0.078 0.000 1.129 670 G CA -0.405 44.638 45.100 -0.096 0.000 0.912 670 G HN 0.905 nan 8.290 nan 0.000 0.443 671 V N -0.008 119.880 119.914 -0.043 0.000 2.715 671 V HA 0.861 4.987 4.120 0.011 0.000 0.310 671 V C -0.048 176.034 176.094 -0.019 0.000 1.054 671 V CA -1.095 61.187 62.300 -0.030 0.000 0.928 671 V CB 1.844 33.660 31.823 -0.011 0.000 1.007 671 V HN 0.591 nan 8.190 nan 0.000 0.437 672 S N 1.922 117.614 115.700 -0.013 0.000 2.530 672 S HA 0.642 5.118 4.470 0.011 0.000 0.322 672 S C -0.223 174.394 174.600 0.029 0.000 1.085 672 S CA -0.212 57.990 58.200 0.004 0.000 1.096 672 S CB 1.127 64.325 63.200 -0.004 0.000 0.988 672 S HN 1.034 nan 8.310 nan 0.000 0.466 673 T N 4.416 118.997 114.554 0.044 0.000 2.895 673 T HA 0.518 4.875 4.350 0.011 0.000 0.283 673 T C 0.653 175.402 174.700 0.081 0.000 1.014 673 T CA -0.383 61.764 62.100 0.078 0.000 1.037 673 T CB 1.417 70.364 68.868 0.132 0.000 1.006 673 T HN 0.566 nan 8.240 nan 0.000 0.468 674 L N 3.015 124.292 121.223 0.091 0.000 2.783 674 L HA 0.700 5.047 4.340 0.011 0.000 0.174 674 L C 0.984 177.904 176.870 0.083 0.000 1.235 674 L CA 0.465 55.350 54.840 0.075 0.000 0.862 674 L CB -0.013 42.093 42.059 0.079 0.000 1.249 674 L HN 0.648 nan 8.230 nan 0.000 0.518 675 A N -0.518 122.350 122.820 0.081 0.000 3.056 675 A HA 0.642 4.968 4.320 0.011 0.000 0.328 675 A C 0.755 178.372 177.584 0.054 0.000 1.233 675 A CA 0.061 52.137 52.037 0.064 0.000 0.965 675 A CB -0.614 18.414 19.000 0.047 0.000 1.123 675 A HN 1.012 nan 8.150 nan 0.000 0.502 676 A N 0.070 122.949 122.820 0.099 0.000 2.790 676 A HA -0.184 4.143 4.320 0.011 0.000 0.277 676 A C 1.881 179.393 177.584 -0.121 0.000 1.435 676 A CA 1.782 53.793 52.037 -0.044 0.000 0.877 676 A CB -1.791 17.152 19.000 -0.094 0.000 1.007 676 A HN 1.924 nan 8.150 nan 0.000 0.613 677 G N -0.124 108.692 108.800 0.027 0.000 2.448 677 G HA2 -0.188 3.779 3.960 0.011 0.000 0.219 677 G HA3 -0.188 3.779 3.960 0.011 0.000 0.219 677 G C 1.224 176.142 174.900 0.030 0.000 1.127 677 G CA 1.457 46.573 45.100 0.025 0.000 0.766 677 G HN 1.283 nan 8.290 nan 0.000 0.552 678 H N 0.040 119.140 119.070 0.050 0.000 2.491 678 H HA 0.123 4.685 4.556 0.011 0.000 0.290 678 H C 1.803 177.221 175.328 0.150 0.000 1.050 678 H CA 1.130 57.218 56.048 0.067 0.000 1.309 678 H CB -0.080 29.715 29.762 0.054 0.000 1.392 678 H HN 0.173 nan 8.280 nan 0.000 0.554 679 K N 0.724 120.890 120.400 -0.390 0.000 2.217 679 K HA -0.023 4.304 4.320 0.011 0.000 0.202 679 K C 1.840 178.458 176.600 0.030 0.000 1.051 679 K CA 1.515 57.721 56.287 -0.135 0.000 0.952 679 K CB 0.268 32.567 32.500 -0.336 0.000 0.736 679 K HN 0.662 nan 8.250 nan 0.000 0.453 680 T N -2.576 111.972 114.554 -0.010 0.000 3.221 680 T HA 0.150 4.507 4.350 0.011 0.000 0.250 680 T C 2.110 176.825 174.700 0.024 0.000 0.988 680 T CA -0.320 61.789 62.100 0.014 0.000 1.163 680 T CB -0.408 68.452 68.868 -0.013 0.000 1.098 680 T HN -0.065 nan 8.240 nan 0.000 0.422 681 L N 1.487 122.721 121.223 0.018 0.000 2.079 681 L HA -0.047 4.300 4.340 0.011 0.000 0.210 681 L C 2.828 179.713 176.870 0.025 0.000 1.081 681 L CA 0.965 55.818 54.840 0.022 0.000 0.752 681 L CB -0.695 41.380 42.059 0.026 0.000 0.896 681 L HN 0.160 nan 8.230 nan 0.000 0.433 682 V N -0.081 119.854 119.914 0.036 0.000 2.244 682 V HA -0.145 3.982 4.120 0.011 0.000 0.244 682 V C -0.117 175.979 176.094 0.003 0.000 1.042 682 V CA 1.905 64.218 62.300 0.021 0.000 1.006 682 V CB -1.506 30.335 31.823 0.030 0.000 0.641 682 V HN 0.304 nan 8.190 nan 0.000 0.446 683 P HA -0.188 nan 4.420 nan 0.000 0.216 683 P C 1.638 178.944 177.300 0.009 0.000 1.154 683 P CA 1.502 64.605 63.100 0.005 0.000 0.865 683 P CB -0.030 31.702 31.700 0.053 0.000 0.789 684 E N -0.988 119.222 120.200 0.016 0.000 2.085 684 E HA -0.196 4.161 4.350 0.011 0.000 0.194 684 E C 1.906 178.510 176.600 0.006 0.000 0.994 684 E CA 0.896 57.303 56.400 0.011 0.000 0.801 684 E CB -0.674 29.033 29.700 0.011 0.000 0.743 684 E HN 0.114 nan 8.360 nan 0.000 0.453 685 L N 1.204 122.430 121.223 0.005 0.000 2.012 685 L HA -0.180 4.166 4.340 0.011 0.000 0.210 685 L C 2.113 178.983 176.870 -0.000 0.000 1.073 685 L CA 1.521 56.363 54.840 0.002 0.000 0.748 685 L CB -0.326 41.733 42.059 0.001 0.000 0.891 685 L HN 0.099 nan 8.230 nan 0.000 0.431 686 I N -1.154 119.413 120.570 -0.005 0.000 2.226 686 I HA -0.332 3.845 4.170 0.011 0.000 0.245 686 I C 2.591 178.707 176.117 -0.002 0.000 1.100 686 I CA 1.181 62.476 61.300 -0.007 0.000 1.374 686 I CB -0.470 37.517 38.000 -0.021 0.000 1.057 686 I HN 0.082 nan 8.210 nan 0.000 0.413 687 K N 0.039 120.439 120.400 0.000 0.000 2.057 687 K HA -0.131 4.195 4.320 0.011 0.000 0.207 687 K C 1.975 178.578 176.600 0.004 0.000 1.049 687 K CA 1.170 57.460 56.287 0.004 0.000 0.931 687 K CB -0.401 32.103 32.500 0.007 0.000 0.714 687 K HN 0.402 nan 8.250 nan 0.000 0.440 688 E N 0.247 120.450 120.200 0.004 0.000 2.152 688 E HA 0.005 4.361 4.350 0.011 0.000 0.192 688 E C 2.127 178.729 176.600 0.004 0.000 0.983 688 E CA 0.769 57.171 56.400 0.004 0.000 0.818 688 E CB -0.146 29.557 29.700 0.004 0.000 0.758 688 E HN 0.355 nan 8.360 nan 0.000 0.467 689 L N 1.093 122.318 121.223 0.004 0.000 2.027 689 L HA -0.202 4.145 4.340 0.011 0.000 0.206 689 L C 2.423 179.296 176.870 0.005 0.000 1.074 689 L CA 1.296 56.139 54.840 0.005 0.000 0.745 689 L CB -0.501 41.561 42.059 0.006 0.000 0.898 689 L HN 0.128 nan 8.230 nan 0.000 0.433 690 N N -0.435 118.269 118.700 0.005 0.000 2.104 690 N HA -0.226 4.521 4.740 0.011 0.000 0.190 690 N C 1.996 177.510 175.510 0.006 0.000 1.024 690 N CA 1.720 54.773 53.050 0.006 0.000 0.853 690 N CB -0.119 38.372 38.487 0.006 0.000 1.008 690 N HN 0.155 nan 8.380 nan 0.000 0.424 691 S N -0.538 115.165 115.700 0.005 0.000 2.382 691 S HA 0.019 4.496 4.470 0.011 0.000 0.228 691 S C 1.706 176.309 174.600 0.005 0.000 1.027 691 S CA 0.811 59.014 58.200 0.005 0.000 0.991 691 S CB -0.305 62.898 63.200 0.005 0.000 0.823 691 S HN 0.420 nan 8.310 nan 0.000 0.469 692 L N 0.483 121.709 121.223 0.004 0.000 2.554 692 L HA 0.254 4.600 4.340 0.011 0.000 0.226 692 L C 1.572 178.444 176.870 0.004 0.000 1.137 692 L CA 0.484 55.326 54.840 0.004 0.000 0.863 692 L CB -0.310 41.751 42.059 0.003 0.000 0.985 692 L HN 0.584 nan 8.230 nan 0.000 0.451 693 G N 0.512 109.315 108.800 0.005 0.000 2.131 693 G HA2 -0.193 3.773 3.960 0.011 0.000 0.201 693 G HA3 -0.193 3.773 3.960 0.011 0.000 0.201 693 G C 0.077 174.980 174.900 0.006 0.000 1.000 693 G CA -0.580 44.524 45.100 0.005 0.000 0.680 693 G HN 0.187 nan 8.290 nan 0.000 0.514 694 R N -0.118 120.386 120.500 0.007 0.000 2.738 694 R HA 0.280 4.627 4.340 0.011 0.000 0.280 694 R C -1.914 174.394 176.300 0.012 0.000 1.456 694 R CA -1.265 54.840 56.100 0.009 0.000 1.612 694 R CB 1.223 31.526 30.300 0.005 0.000 1.286 694 R HN 0.270 nan 8.270 nan 0.000 0.660 695 P HA -0.099 nan 4.420 nan 0.000 0.233 695 P C 0.478 177.790 177.300 0.021 0.000 1.167 695 P CA 0.885 63.993 63.100 0.015 0.000 0.770 695 P CB 0.344 32.052 31.700 0.012 0.000 0.837 696 D N -0.348 120.068 120.400 0.026 0.000 2.323 696 D HA -0.047 4.599 4.640 0.011 0.000 0.209 696 D C 0.884 177.215 176.300 0.051 0.000 0.973 696 D CA -0.027 53.996 54.000 0.039 0.000 0.874 696 D CB -0.612 40.212 40.800 0.041 0.000 0.930 696 D HN 0.208 nan 8.370 nan 0.000 0.521 697 I N 1.790 122.385 120.570 0.041 0.000 2.598 697 I HA 0.011 4.188 4.170 0.011 0.000 0.284 697 I C 0.661 176.808 176.117 0.050 0.000 1.140 697 I CA -0.286 61.043 61.300 0.049 0.000 1.420 697 I CB 0.766 38.783 38.000 0.030 0.000 1.387 697 I HN -0.144 nan 8.210 nan 0.000 0.553 698 L N 7.026 128.291 121.223 0.070 0.000 2.395 698 L HA 0.422 4.768 4.340 0.011 0.000 0.269 698 L C -0.288 176.612 176.870 0.050 0.000 1.133 698 L CA -0.733 54.145 54.840 0.063 0.000 0.812 698 L CB 1.145 43.254 42.059 0.084 0.000 1.125 698 L HN 0.276 nan 8.230 nan 0.000 0.452 699 V N 3.435 123.370 119.914 0.036 0.000 2.448 699 V HA 0.463 4.589 4.120 0.011 0.000 0.295 699 V C 0.124 176.234 176.094 0.025 0.000 1.025 699 V CA -0.508 61.804 62.300 0.020 0.000 0.859 699 V CB 1.665 33.487 31.823 -0.002 0.000 0.988 699 V HN 0.618 nan 8.190 nan 0.000 0.431 700 M N 3.782 123.406 119.600 0.039 0.000 2.456 700 M HA 0.543 5.029 4.480 0.011 0.000 0.324 700 M C -0.809 175.521 176.300 0.050 0.000 1.124 700 M CA -0.115 55.235 55.300 0.083 0.000 0.959 700 M CB 1.617 34.345 32.600 0.212 0.000 1.692 700 M HN 0.571 nan 8.290 nan 0.000 0.444 701 C N 1.051 120.364 119.300 0.021 0.000 2.529 701 C HA 1.029 5.496 4.460 0.011 0.000 0.329 701 C C 0.751 175.763 174.990 0.036 0.000 1.194 701 C CA -0.351 58.655 59.018 -0.019 0.000 1.779 701 C CB 1.625 29.291 27.740 -0.124 0.000 2.322 701 C HN 1.062 nan 8.230 nan 0.000 0.500 702 G N -0.308 108.503 108.800 0.018 0.000 2.749 702 G HA2 0.811 4.777 3.960 0.011 0.000 0.300 702 G HA3 0.811 4.777 3.960 0.011 0.000 0.300 702 G C -0.369 174.537 174.900 0.010 0.000 1.352 702 G CA 0.476 45.599 45.100 0.039 0.000 0.789 702 G HN 1.861 nan 8.290 nan 0.000 0.509 703 G N -2.144 106.672 108.800 0.027 0.000 2.587 703 G HA2 0.180 4.147 3.960 0.011 0.000 0.212 703 G HA3 0.180 4.147 3.960 0.011 0.000 0.212 703 G C -0.246 174.661 174.900 0.012 0.000 1.327 703 G CA -0.068 45.047 45.100 0.025 0.000 0.898 703 G HN 1.687 nan 8.290 nan 0.000 0.551 704 V N 0.756 120.677 119.914 0.011 0.000 2.397 704 V HA 0.530 4.657 4.120 0.011 0.000 0.262 704 V C 0.683 176.751 176.094 -0.043 0.000 1.047 704 V CA 0.470 62.771 62.300 0.001 0.000 1.003 704 V CB -0.054 31.776 31.823 0.012 0.000 1.037 704 V HN 0.619 nan 8.190 nan 0.000 0.480 705 I N 6.757 127.289 120.570 -0.063 0.000 2.534 705 I HA 0.383 4.559 4.170 0.011 0.000 0.286 705 I C -2.566 173.553 176.117 0.002 0.000 1.094 705 I CA -1.874 59.317 61.300 -0.181 0.000 1.055 705 I CB 2.836 40.684 38.000 -0.254 0.000 1.225 705 I HN 0.416 nan 8.210 nan 0.000 0.435 706 P HA 0.170 nan 4.420 nan 0.000 0.267 706 P C -2.132 175.095 177.300 -0.122 0.000 1.205 706 P CA -1.202 61.877 63.100 -0.034 0.000 0.765 706 P CB 0.171 31.873 31.700 0.003 0.000 0.828 707 P HA -0.234 nan 4.420 nan 0.000 0.220 707 P C 1.708 178.764 177.300 -0.406 0.000 1.144 707 P CA 1.885 64.489 63.100 -0.826 0.000 0.800 707 P CB -0.405 30.973 31.700 -0.536 0.000 0.772 708 Q N -0.014 119.697 119.800 -0.147 0.000 2.167 708 Q HA -0.174 4.173 4.340 0.011 0.000 0.202 708 Q C 1.632 177.677 176.000 0.075 0.000 0.970 708 Q CA 1.829 57.617 55.803 -0.024 0.000 0.855 708 Q CB -1.639 27.095 28.738 -0.008 0.000 0.911 708 Q HN 0.290 nan 8.270 nan 0.000 0.438 709 D N -1.116 119.365 120.400 0.135 0.000 2.355 709 D HA 0.025 4.671 4.640 0.011 0.000 0.218 709 D C 1.117 177.590 176.300 0.289 0.000 1.004 709 D CA 0.089 54.247 54.000 0.263 0.000 0.880 709 D CB -0.114 40.891 40.800 0.341 0.000 0.911 709 D HN 0.585 nan 8.370 nan 0.000 0.528 710 Y N 1.504 121.758 120.300 -0.077 0.000 2.097 710 Y HA -0.209 4.347 4.550 0.011 0.000 0.282 710 Y C 2.884 178.576 175.900 -0.347 0.000 1.152 710 Y CA 1.356 59.267 58.100 -0.316 0.000 1.136 710 Y CB -1.088 37.258 38.460 -0.190 0.000 0.975 710 Y HN 0.186 nan 8.280 nan 0.000 0.498 711 E N 0.083 120.401 120.200 0.196 0.000 2.160 711 E HA -0.238 4.119 4.350 0.011 0.000 0.195 711 E C 2.060 178.782 176.600 0.203 0.000 0.991 711 E CA 1.357 57.924 56.400 0.279 0.000 0.810 711 E CB -1.531 28.314 29.700 0.242 0.000 0.742 711 E HN 0.597 nan 8.360 nan 0.000 0.466 712 F N 0.585 120.564 119.950 0.048 0.000 2.102 712 F HA -0.052 4.482 4.527 0.011 0.000 0.298 712 F C 2.260 178.057 175.800 -0.004 0.000 1.105 712 F CA 1.691 59.711 58.000 0.033 0.000 1.239 712 F CB -0.095 38.928 39.000 0.038 0.000 0.991 712 F HN 0.158 nan 8.300 nan 0.000 0.474 713 L N -0.580 120.384 121.223 -0.431 0.000 2.042 713 L HA -0.234 4.113 4.340 0.011 0.000 0.210 713 L C 2.434 179.063 176.870 -0.401 0.000 1.076 713 L CA 1.135 55.625 54.840 -0.583 0.000 0.749 713 L CB -0.856 40.917 42.059 -0.476 0.000 0.893 713 L HN 0.154 nan 8.230 nan 0.000 0.432 714 F N 0.684 120.540 119.950 -0.156 0.000 2.134 714 F HA -0.201 4.333 4.527 0.011 0.000 0.299 714 F C 3.027 178.759 175.800 -0.114 0.000 1.097 714 F CA 1.481 59.413 58.000 -0.113 0.000 1.264 714 F CB -1.304 37.663 39.000 -0.055 0.000 1.001 714 F HN 0.174 nan 8.300 nan 0.000 0.479 715 E N -0.290 119.946 120.200 0.058 0.000 2.150 715 E HA -0.100 4.257 4.350 0.011 0.000 0.193 715 E C 2.299 178.859 176.600 -0.067 0.000 0.985 715 E CA 1.325 57.733 56.400 0.013 0.000 0.814 715 E CB -1.261 28.465 29.700 0.044 0.000 0.752 715 E HN 0.249 nan 8.360 nan 0.000 0.466 716 V N -0.811 118.975 119.914 -0.213 0.000 3.461 716 V HA 0.385 4.512 4.120 0.011 0.000 0.267 716 V C 1.780 177.797 176.094 -0.129 0.000 1.186 716 V CA 1.940 64.105 62.300 -0.224 0.000 1.154 716 V CB 0.120 31.663 31.823 -0.466 0.000 0.802 716 V HN 0.943 nan 8.190 nan 0.000 0.474 717 G N -1.004 107.745 108.800 -0.086 0.000 2.367 717 G HA2 -0.174 3.792 3.960 0.011 0.000 0.181 717 G HA3 -0.174 3.792 3.960 0.011 0.000 0.181 717 G C 0.131 175.023 174.900 -0.013 0.000 1.000 717 G CA -0.031 45.050 45.100 -0.032 0.000 0.693 717 G HN 0.387 nan 8.290 nan 0.000 0.480 718 V N 2.795 122.681 119.914 -0.047 0.000 2.599 718 V HA 0.339 4.466 4.120 0.011 0.000 0.300 718 V C 1.858 178.007 176.094 0.090 0.000 1.034 718 V CA 1.370 63.651 62.300 -0.031 0.000 1.115 718 V CB 1.380 33.114 31.823 -0.149 0.000 0.934 718 V HN 0.879 nan 8.190 nan 0.000 0.485 719 S N 2.882 118.627 115.700 0.074 0.000 2.524 719 S HA 0.135 4.611 4.470 0.011 0.000 0.216 719 S C 0.638 175.302 174.600 0.107 0.000 0.987 719 S CA -0.029 58.227 58.200 0.094 0.000 0.909 719 S CB 0.007 63.238 63.200 0.053 0.000 0.781 719 S HN 0.764 nan 8.310 nan 0.000 0.521 720 N N -0.608 118.127 118.700 0.057 0.000 2.666 720 N HA 0.329 5.075 4.740 0.011 0.000 0.260 720 N C -1.669 173.627 175.510 -0.357 0.000 1.077 720 N CA 0.028 53.012 53.050 -0.110 0.000 1.026 720 N CB 1.885 40.187 38.487 -0.309 0.000 1.653 720 N HN 0.190 nan 8.380 nan 0.000 0.533 721 V N 2.624 122.236 119.914 -0.505 0.000 2.394 721 V HA 0.647 4.773 4.120 0.011 0.000 0.282 721 V C -0.557 175.173 176.094 -0.607 0.000 1.031 721 V CA -0.333 61.586 62.300 -0.636 0.000 0.881 721 V CB 0.520 31.661 31.823 -1.136 0.000 0.982 721 V HN 0.487 nan 8.190 nan 0.000 0.451 722 F N 5.236 125.096 119.950 -0.150 0.000 2.313 722 F HA 0.581 5.114 4.527 0.011 0.000 0.369 722 F C 1.167 176.964 175.800 -0.005 0.000 1.109 722 F CA -0.288 57.686 58.000 -0.042 0.000 1.132 722 F CB 1.383 40.368 39.000 -0.024 0.000 1.291 722 F HN 0.703 nan 8.300 nan 0.000 0.496 723 G N 3.580 112.496 108.800 0.195 0.000 2.525 723 G HA2 0.352 4.318 3.960 0.011 0.000 0.276 723 G HA3 0.352 4.318 3.960 0.011 0.000 0.276 723 G C -2.502 172.489 174.900 0.152 0.000 1.388 723 G CA -1.067 44.157 45.100 0.207 0.000 1.050 723 G HN 0.314 nan 8.290 nan 0.000 0.520 724 P HA 0.243 nan 4.420 nan 0.000 0.274 724 P C 0.529 177.871 177.300 0.069 0.000 1.231 724 P CA 0.930 64.068 63.100 0.064 0.000 0.790 724 P CB 0.975 32.691 31.700 0.027 0.000 0.951 725 G N 1.254 110.085 108.800 0.051 0.000 2.249 725 G HA2 -0.202 3.765 3.960 0.011 0.000 0.273 725 G HA3 -0.202 3.765 3.960 0.011 0.000 0.273 725 G C 0.146 175.104 174.900 0.096 0.000 1.036 725 G CA 0.181 45.317 45.100 0.060 0.000 0.824 725 G HN 0.663 nan 8.290 nan 0.000 0.504 726 T N 0.584 115.210 114.554 0.120 0.000 2.884 726 T HA 0.502 4.859 4.350 0.011 0.000 0.298 726 T C 0.808 175.582 174.700 0.123 0.000 0.998 726 T CA -0.053 62.136 62.100 0.148 0.000 1.124 726 T CB 0.976 69.960 68.868 0.194 0.000 0.931 726 T HN 0.471 nan 8.240 nan 0.000 0.531 727 R N 2.444 123.021 120.500 0.127 0.000 2.460 727 R HA 0.443 4.790 4.340 0.011 0.000 0.303 727 R C 1.081 177.439 176.300 0.098 0.000 0.968 727 R CA -0.733 55.455 56.100 0.146 0.000 0.889 727 R CB 1.282 31.680 30.300 0.163 0.000 1.123 727 R HN 0.586 nan 8.270 nan 0.000 0.455 728 I N 3.476 124.110 120.570 0.107 0.000 2.226 728 I HA -0.181 3.995 4.170 0.011 0.000 0.245 728 I C -0.792 175.229 176.117 -0.160 0.000 1.100 728 I CA 1.227 62.505 61.300 -0.037 0.000 1.374 728 I CB -0.558 37.337 38.000 -0.175 0.000 1.057 728 I HN 0.500 nan 8.210 nan 0.000 0.413 729 P HA -0.173 nan 4.420 nan 0.000 0.218 729 P C 1.482 178.725 177.300 -0.095 0.000 1.149 729 P CA 1.341 64.360 63.100 -0.136 0.000 0.817 729 P CB -0.054 31.588 31.700 -0.096 0.000 0.785 730 K N -0.184 120.209 120.400 -0.011 0.000 2.062 730 K HA -0.032 4.294 4.320 0.011 0.000 0.205 730 K C 1.983 178.606 176.600 0.039 0.000 1.051 730 K CA 1.172 57.477 56.287 0.031 0.000 0.941 730 K CB -0.457 32.094 32.500 0.086 0.000 0.719 730 K HN -0.048 nan 8.250 nan 0.000 0.440 731 A N 1.342 124.157 122.820 -0.007 0.000 1.877 731 A HA -0.122 4.204 4.320 0.011 0.000 0.216 731 A C 2.341 179.856 177.584 -0.115 0.000 1.186 731 A CA 1.931 53.927 52.037 -0.068 0.000 0.620 731 A CB -0.855 17.952 19.000 -0.322 0.000 0.822 731 A HN 0.436 nan 8.150 nan 0.000 0.443 732 A N -0.614 121.933 122.820 -0.455 0.000 1.917 732 A HA -0.097 4.229 4.320 0.011 0.000 0.219 732 A C 2.238 179.730 177.584 -0.152 0.000 1.182 732 A CA 2.121 53.702 52.037 -0.761 0.000 0.633 732 A CB -0.996 17.403 19.000 -1.002 0.000 0.819 732 A HN 0.462 nan 8.150 nan 0.000 0.448 733 V N -0.386 119.478 119.914 -0.084 0.000 2.453 733 V HA -0.224 3.902 4.120 0.011 0.000 0.247 733 V C 2.683 178.814 176.094 0.062 0.000 1.048 733 V CA 2.200 64.499 62.300 -0.001 0.000 1.049 733 V CB -0.641 31.177 31.823 -0.008 0.000 0.672 733 V HN 0.728 nan 8.190 nan 0.000 0.457 734 Q N 0.314 120.183 119.800 0.116 0.000 2.124 734 Q HA -0.144 4.202 4.340 0.011 0.000 0.202 734 Q C 1.999 178.127 176.000 0.214 0.000 0.977 734 Q CA 2.089 58.003 55.803 0.185 0.000 0.850 734 Q CB -0.472 28.455 28.738 0.314 0.000 0.901 734 Q HN 0.445 nan 8.270 nan 0.000 0.429 735 V N -0.352 119.713 119.914 0.253 0.000 2.270 735 V HA -0.229 3.897 4.120 0.011 0.000 0.245 735 V C 2.430 178.620 176.094 0.159 0.000 1.043 735 V CA 1.569 64.017 62.300 0.247 0.000 1.014 735 V CB -1.065 30.921 31.823 0.272 0.000 0.645 735 V HN 0.465 nan 8.190 nan 0.000 0.447 736 L N -0.057 121.250 121.223 0.139 0.000 2.081 736 L HA -0.232 4.115 4.340 0.011 0.000 0.212 736 L C 2.380 179.233 176.870 -0.028 0.000 1.080 736 L CA 2.479 57.288 54.840 -0.051 0.000 0.754 736 L CB -1.342 40.652 42.059 -0.108 0.000 0.893 736 L HN 0.608 nan 8.230 nan 0.000 0.433 737 D N -0.822 119.599 120.400 0.035 0.000 2.092 737 D HA -0.193 4.454 4.640 0.011 0.000 0.193 737 D C 1.932 178.265 176.300 0.055 0.000 0.994 737 D CA 1.824 55.852 54.000 0.047 0.000 0.828 737 D CB -0.355 40.474 40.800 0.049 0.000 0.963 737 D HN 0.523 nan 8.370 nan 0.000 0.450 738 D N 0.813 121.252 120.400 0.066 0.000 2.123 738 D HA -0.119 4.527 4.640 0.011 0.000 0.196 738 D C 2.279 178.623 176.300 0.073 0.000 0.992 738 D CA 0.547 54.586 54.000 0.065 0.000 0.833 738 D CB -0.248 40.600 40.800 0.081 0.000 0.954 738 D HN 0.436 nan 8.370 nan 0.000 0.455 739 I N -1.291 119.321 120.570 0.070 0.000 2.617 739 I HA -0.061 4.116 4.170 0.011 0.000 0.256 739 I C 1.760 177.959 176.117 0.136 0.000 1.167 739 I CA 1.090 62.442 61.300 0.086 0.000 1.469 739 I CB -0.259 37.754 38.000 0.022 0.000 1.098 739 I HN -0.157 nan 8.210 nan 0.000 0.436 740 E N 1.953 122.235 120.200 0.136 0.000 2.046 740 E HA -0.159 4.197 4.350 0.011 0.000 0.190 740 E C 2.543 179.207 176.600 0.107 0.000 0.982 740 E CA 1.757 58.267 56.400 0.183 0.000 0.800 740 E CB -0.122 29.684 29.700 0.177 0.000 0.756 740 E HN 0.644 nan 8.360 nan 0.000 0.449 741 K N 0.585 121.031 120.400 0.076 0.000 2.103 741 K HA -0.164 4.163 4.320 0.011 0.000 0.207 741 K C 2.065 178.696 176.600 0.052 0.000 1.048 741 K CA 1.544 57.861 56.287 0.051 0.000 0.930 741 K CB -1.529 30.992 32.500 0.035 0.000 0.716 741 K HN 0.254 nan 8.250 nan 0.000 0.444 742 C N 0.009 119.349 119.300 0.067 0.000 2.446 742 C HA 0.136 4.603 4.460 0.011 0.000 0.277 742 C C 2.555 177.590 174.990 0.074 0.000 1.275 742 C CA 0.851 59.910 59.018 0.068 0.000 1.727 742 C CB -0.912 26.878 27.740 0.084 0.000 2.010 742 C HN 0.664 nan 8.230 nan 0.000 0.486 743 L N 0.795 122.075 121.223 0.096 0.000 2.141 743 L HA -0.010 4.337 4.340 0.011 0.000 0.209 743 L C 2.950 179.849 176.870 0.048 0.000 1.094 743 L CA 1.933 56.823 54.840 0.085 0.000 0.763 743 L CB -0.781 41.341 42.059 0.105 0.000 0.908 743 L HN 0.557 nan 8.230 nan 0.000 0.437 744 E N 0.785 121.011 120.200 0.043 0.000 2.268 744 E HA -0.130 4.227 4.350 0.011 0.000 0.195 744 E C 1.179 177.792 176.600 0.021 0.000 0.995 744 E CA 0.850 57.265 56.400 0.025 0.000 0.836 744 E CB -0.372 29.343 29.700 0.025 0.000 0.763 744 E HN 0.479 nan 8.360 nan 0.000 0.491 745 K N 0.000 120.416 120.400 0.027 0.000 2.780 745 K HA 0.000 4.327 4.320 0.011 0.000 0.191 745 K CA 0.000 56.300 56.287 0.022 0.000 0.838 745 K CB 0.000 32.514 32.500 0.023 0.000 1.064 745 K HN 0.000 nan 8.250 nan 0.000 0.543