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 2ccd_1_B DATA FIRST_RESID 26 DATA SEQUENCE MKYPVEGGGN QDWWPNRLNL KVLHQNPAVA DPMGAAFDYA AEVATIDVDA DATA SEQUENCE LTRDIEEVMT TSQPWWPADY GHYGPLFIRM AWHAAGTYRI HDGRGGAGGG DATA SEQUENCE MQRFAPLNSW PDNASLDKAR RLLWPVKKKY GKKLSWADLI VFAGNCALES DATA SEQUENCE MGFKTFGFGF GRVDQWEPDE VYWGKEATWL GDERYSGKRD LENPLAAVQM DATA SEQUENCE GLIYVNPEGP NGNPDPMAAA VDIRETFRRM AMNDVETAAL IVGGHTFGKT DATA SEQUENCE HGAGPADLVG PEPEAAPLEQ MGLGWKSSYG TGTGKDAITT GIEVVWTNTP DATA SEQUENCE TKWDNSFLEI LYGYEWELTK SPAGAWQYTA KDGAGAGTIP DPFGGPGRSP DATA SEQUENCE TMLATDLSLR VDPIYERITR RWLEHPEELA DEFAKAWYKL IHRDMGPVAR DATA SEQUENCE YLGPLVPKQT LLWQDPVPAV SHDLVGEAEI ASLKSQIRAS GLTVSQLVST DATA SEQUENCE AWAAASSFRG SDKRGGANGG RIRLQPQVGW EVNDPDGDLR KVIRTLEEIQ DATA SEQUENCE ESFNSAAPGN IKVSFADLVV LGGCAAIEKA AKAAGHNITV PFTPGRTDAS DATA SEQUENCE QEQTDVESFA VLEPKADGFR NYLGKGNPLP AEYMLLDKAN LLTLSAPEMT DATA SEQUENCE VLVGGLRVLG ANYKRLPLGV FTEASESLTN DFFVNLLDMG ITWEPSPADD DATA SEQUENCE GTYQGKDGSG KVKWTGSRVD LVFGSNSELR ALVEVYGADD AQPKFVQDFV DATA SEQUENCE AAWDKVMNLD RFDVR 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 26 M HA 0.000 nan 4.480 nan 0.000 0.227 26 M C 0.000 176.238 176.300 -0.104 0.000 1.140 26 M CA 0.000 55.188 55.300 -0.187 0.000 0.988 26 M CB 0.000 32.480 32.600 -0.200 0.000 1.302 27 K N -0.068 120.282 120.400 -0.084 0.000 2.281 27 K HA 0.498 4.820 4.320 0.002 0.000 0.242 27 K C -1.357 175.241 176.600 -0.003 0.000 0.971 27 K CA -0.755 55.529 56.287 -0.005 0.000 0.834 27 K CB 1.732 34.247 32.500 0.024 0.000 1.181 27 K HN -0.041 nan 8.250 nan 0.000 0.435 28 Y N 1.270 121.570 120.300 -0.000 0.000 2.683 28 Y HA -0.072 4.479 4.550 0.002 0.000 0.340 28 Y C -1.450 174.459 175.900 0.014 0.000 1.245 28 Y CA -0.835 57.272 58.100 0.011 0.000 1.485 28 Y CB 0.189 38.653 38.460 0.007 0.000 1.328 28 Y HN 0.545 nan 8.280 nan 0.000 0.603 29 P HA -0.223 nan 4.420 nan 0.000 0.216 29 P C 1.551 178.915 177.300 0.107 0.000 1.150 29 P CA 1.284 64.454 63.100 0.116 0.000 0.843 29 P CB 0.164 31.927 31.700 0.104 0.000 0.787 30 V N -0.381 119.608 119.914 0.125 0.000 3.141 30 V HA -0.114 4.007 4.120 0.002 0.000 0.265 30 V C 1.706 177.828 176.094 0.046 0.000 1.126 30 V CA 1.560 63.898 62.300 0.064 0.000 1.141 30 V CB -0.876 30.965 31.823 0.030 0.000 0.743 30 V HN 0.106 nan 8.190 nan 0.000 0.492 31 E N -0.981 119.267 120.200 0.080 0.000 2.501 31 E HA 0.296 4.648 4.350 0.002 0.000 0.200 31 E C 1.245 177.874 176.600 0.049 0.000 1.016 31 E CA 0.589 57.022 56.400 0.055 0.000 0.921 31 E CB 0.399 30.144 29.700 0.076 0.000 1.034 31 E HN 0.557 nan 8.360 nan 0.000 0.468 32 G N 0.127 108.959 108.800 0.053 0.000 2.179 32 G HA2 -0.223 3.738 3.960 0.002 0.000 0.220 32 G HA3 -0.223 3.738 3.960 0.002 0.000 0.220 32 G C 0.468 175.389 174.900 0.036 0.000 0.990 32 G CA -0.271 44.852 45.100 0.039 0.000 0.646 32 G HN 0.459 nan 8.290 nan 0.000 0.517 33 G N 0.016 108.843 108.800 0.044 0.000 2.441 33 G HA2 0.693 4.655 3.960 0.002 0.000 0.243 33 G HA3 0.693 4.655 3.960 0.002 0.000 0.243 33 G C 0.519 175.447 174.900 0.047 0.000 1.281 33 G CA 0.739 45.852 45.100 0.021 0.000 0.854 33 G HN 1.536 nan 8.290 nan 0.000 0.560 34 G N 0.457 109.285 108.800 0.048 0.000 2.489 34 G HA2 0.223 4.184 3.960 0.002 0.000 0.305 34 G HA3 0.223 4.184 3.960 0.002 0.000 0.305 34 G C 0.405 175.409 174.900 0.173 0.000 1.311 34 G CA -0.497 44.670 45.100 0.112 0.000 0.813 34 G HN 0.461 nan 8.290 nan 0.000 0.480 35 N N 0.389 119.244 118.700 0.258 0.000 2.289 35 N HA -0.146 4.596 4.740 0.002 0.000 0.184 35 N C 2.306 178.053 175.510 0.395 0.000 1.016 35 N CA 1.440 54.749 53.050 0.432 0.000 0.872 35 N CB 0.084 38.819 38.487 0.414 0.000 0.973 35 N HN 0.573 nan 8.380 nan 0.000 0.433 36 Q N 1.360 121.293 119.800 0.222 0.000 2.170 36 Q HA -0.195 4.147 4.340 0.002 0.000 0.203 36 Q C 0.450 176.483 176.000 0.055 0.000 0.976 36 Q CA 1.547 57.446 55.803 0.161 0.000 0.858 36 Q CB -0.334 28.465 28.738 0.101 0.000 0.907 36 Q HN 0.339 nan 8.270 nan 0.000 0.433 37 D N 0.338 120.703 120.400 -0.058 0.000 2.149 37 D HA -0.134 4.507 4.640 0.002 0.000 0.198 37 D C 1.459 177.491 176.300 -0.447 0.000 0.990 37 D CA 1.269 55.101 54.000 -0.279 0.000 0.839 37 D CB -0.508 40.044 40.800 -0.413 0.000 0.948 37 D HN 0.459 nan 8.370 nan 0.000 0.460 38 W N -0.594 120.529 121.300 -0.296 0.000 2.481 38 W HA 0.087 4.749 4.660 0.002 0.000 0.293 38 W C 0.507 176.503 176.519 -0.871 0.000 1.201 38 W CA -0.012 56.868 57.345 -0.776 0.000 1.328 38 W CB 0.204 28.803 29.460 -1.435 0.000 1.112 38 W HN -0.119 nan 8.180 nan 0.000 0.546 39 W N 0.862 122.297 121.300 0.224 0.000 2.483 39 W HA 0.253 4.914 4.660 0.002 0.000 0.291 39 W C -2.136 174.434 176.519 0.085 0.000 0.997 39 W CA -1.865 55.560 57.345 0.134 0.000 1.591 39 W CB 0.299 29.830 29.460 0.119 0.000 1.434 39 W HN -0.192 nan 8.180 nan 0.000 0.420 40 P HA -0.151 nan 4.420 nan 0.000 0.217 40 P C 1.014 178.388 177.300 0.123 0.000 1.150 40 P CA 1.784 64.945 63.100 0.102 0.000 0.832 40 P CB 0.444 32.169 31.700 0.041 0.000 0.787 41 N N -0.359 118.432 118.700 0.151 0.000 2.314 41 N HA 0.022 4.764 4.740 0.002 0.000 0.200 41 N C 0.474 176.132 175.510 0.246 0.000 1.135 41 N CA -0.046 53.101 53.050 0.160 0.000 0.835 41 N CB -0.108 38.453 38.487 0.124 0.000 0.989 41 N HN 0.343 nan 8.380 nan 0.000 0.478 42 R N 0.637 121.266 120.500 0.215 0.000 2.640 42 R HA 0.061 4.402 4.340 0.002 0.000 0.270 42 R C 0.089 176.449 176.300 0.101 0.000 1.024 42 R CA -0.525 55.660 56.100 0.143 0.000 1.085 42 R CB 0.435 30.817 30.300 0.136 0.000 0.963 42 R HN -0.133 nan 8.270 nan 0.000 0.426 43 L N 2.832 124.005 121.223 -0.084 0.000 2.667 43 L HA -0.100 4.241 4.340 0.002 0.000 0.278 43 L C -0.211 176.621 176.870 -0.064 0.000 1.217 43 L CA 1.072 55.787 54.840 -0.209 0.000 0.935 43 L CB -0.234 41.597 42.059 -0.380 0.000 1.193 43 L HN 0.782 nan 8.230 nan 0.000 0.493 44 N N 4.318 123.014 118.700 -0.006 0.000 2.678 44 N HA 0.186 4.927 4.740 0.002 0.000 0.231 44 N C 0.563 176.061 175.510 -0.021 0.000 1.038 44 N CA -0.274 52.781 53.050 0.009 0.000 0.932 44 N CB 0.356 38.866 38.487 0.037 0.000 1.176 44 N HN 0.690 nan 8.380 nan 0.000 0.511 45 L N 2.035 123.245 121.223 -0.021 0.000 2.633 45 L HA -0.028 4.313 4.340 0.002 0.000 0.235 45 L C 1.687 178.513 176.870 -0.074 0.000 1.163 45 L CA 0.622 55.452 54.840 -0.016 0.000 0.859 45 L CB -0.182 41.895 42.059 0.030 0.000 0.973 45 L HN 0.526 nan 8.230 nan 0.000 0.451 46 K N 0.099 120.409 120.400 -0.150 0.000 2.439 46 K HA -0.077 4.244 4.320 0.002 0.000 0.197 46 K C 1.952 178.294 176.600 -0.431 0.000 1.041 46 K CA 1.065 57.052 56.287 -0.500 0.000 0.970 46 K CB -0.041 32.303 32.500 -0.261 0.000 0.773 46 K HN 0.358 nan 8.250 nan 0.000 0.479 47 V N -1.313 118.491 119.914 -0.183 0.000 3.026 47 V HA -0.115 4.006 4.120 0.002 0.000 0.265 47 V C 1.451 177.501 176.094 -0.074 0.000 1.121 47 V CA 1.370 63.610 62.300 -0.101 0.000 1.142 47 V CB -0.645 31.156 31.823 -0.036 0.000 0.730 47 V HN 0.215 nan 8.190 nan 0.000 0.503 48 L N 1.319 122.489 121.223 -0.088 0.000 2.640 48 L HA 0.274 4.615 4.340 0.002 0.000 0.230 48 L C 1.341 178.261 176.870 0.083 0.000 1.123 48 L CA 0.329 55.184 54.840 0.025 0.000 0.900 48 L CB -0.269 41.841 42.059 0.086 0.000 1.146 48 L HN 0.676 nan 8.230 nan 0.000 0.484 49 H N -2.057 117.051 119.070 0.063 0.000 2.674 49 H HA 0.324 4.881 4.556 0.002 0.000 0.235 49 H C -0.383 174.980 175.328 0.058 0.000 1.330 49 H CA -0.547 55.537 56.048 0.061 0.000 1.052 49 H CB 0.060 29.856 29.762 0.056 0.000 1.954 49 H HN 0.230 nan 8.280 nan 0.000 0.566 50 Q N 1.666 121.500 119.800 0.057 0.000 2.352 50 Q HA 0.048 4.389 4.340 0.002 0.000 0.260 50 Q C 0.211 176.279 176.000 0.113 0.000 0.976 50 Q CA -0.235 55.605 55.803 0.062 0.000 0.881 50 Q CB 0.681 29.442 28.738 0.037 0.000 1.235 50 Q HN 0.467 nan 8.270 nan 0.000 0.419 51 N N 2.034 120.806 118.700 0.120 0.000 2.671 51 N HA -0.114 4.627 4.740 0.002 0.000 0.261 51 N C -2.457 173.144 175.510 0.152 0.000 1.053 51 N CA 0.022 53.164 53.050 0.153 0.000 0.732 51 N CB -0.520 38.066 38.487 0.165 0.000 0.887 51 N HN 0.445 nan 8.380 nan 0.000 0.546 52 P HA 0.080 nan 4.420 nan 0.000 0.268 52 P C 0.697 178.046 177.300 0.082 0.000 1.205 52 P CA -0.042 63.124 63.100 0.110 0.000 0.771 52 P CB 0.661 32.417 31.700 0.093 0.000 0.858 53 A N 3.142 126.000 122.820 0.063 0.000 2.019 53 A HA -0.129 4.192 4.320 0.002 0.000 0.219 53 A C 2.094 179.677 177.584 -0.003 0.000 1.164 53 A CA 1.576 53.639 52.037 0.042 0.000 0.644 53 A CB -1.244 17.781 19.000 0.042 0.000 0.805 53 A HN 0.443 nan 8.150 nan 0.000 0.449 54 V N -0.580 119.330 119.914 -0.006 0.000 2.548 54 V HA -0.021 4.101 4.120 0.002 0.000 0.249 54 V C 2.536 178.597 176.094 -0.056 0.000 1.055 54 V CA 1.836 64.117 62.300 -0.031 0.000 1.065 54 V CB -0.374 31.436 31.823 -0.022 0.000 0.681 54 V HN 0.561 nan 8.190 nan 0.000 0.462 55 A N -0.573 122.227 122.820 -0.033 0.000 2.206 55 A HA -0.001 4.321 4.320 0.002 0.000 0.211 55 A C 1.091 178.582 177.584 -0.155 0.000 1.158 55 A CA 0.761 52.772 52.037 -0.043 0.000 0.761 55 A CB -0.335 18.684 19.000 0.031 0.000 0.801 55 A HN 0.598 nan 8.150 nan 0.000 0.473 56 D N 0.117 120.381 120.400 -0.228 0.000 2.317 56 D HA 0.273 4.914 4.640 0.002 0.000 0.234 56 D C -1.815 174.148 176.300 -0.561 0.000 1.112 56 D CA -2.018 51.648 54.000 -0.555 0.000 0.840 56 D CB 1.515 42.190 40.800 -0.209 0.000 1.078 56 D HN 0.080 nan 8.370 nan 0.000 0.486 57 P HA 0.018 nan 4.420 nan 0.000 0.249 57 P C 1.129 178.175 177.300 -0.424 0.000 1.229 57 P CA 0.091 62.865 63.100 -0.542 0.000 0.788 57 P CB 0.355 31.704 31.700 -0.585 0.000 1.072 58 M N -0.528 118.799 119.600 -0.455 0.000 2.334 58 M HA 0.246 4.727 4.480 0.002 0.000 0.266 58 M C 1.188 177.410 176.300 -0.129 0.000 1.082 58 M CA 0.849 55.927 55.300 -0.369 0.000 1.141 58 M CB -1.426 30.843 32.600 -0.551 0.000 1.380 58 M HN 0.070 nan 8.290 nan 0.000 0.440 59 G N -0.960 107.803 108.800 -0.062 0.000 2.576 59 G HA2 0.130 4.092 3.960 0.002 0.000 0.686 59 G HA3 0.130 4.092 3.960 0.002 0.000 0.686 59 G C 0.447 175.401 174.900 0.089 0.000 1.242 59 G CA -0.197 44.913 45.100 0.015 0.000 0.819 59 G HN 0.386 nan 8.290 nan 0.000 0.655 60 A N 0.280 123.141 122.820 0.068 0.000 1.978 60 A HA 0.318 4.639 4.320 0.002 0.000 0.220 60 A C 2.638 180.286 177.584 0.108 0.000 1.170 60 A CA 2.853 54.938 52.037 0.081 0.000 0.636 60 A CB -0.426 18.605 19.000 0.051 0.000 0.810 60 A HN 2.445 nan 8.150 nan 0.000 0.448 61 A N -1.879 121.009 122.820 0.114 0.000 2.251 61 A HA 0.396 4.718 4.320 0.002 0.000 0.209 61 A C 0.471 178.144 177.584 0.148 0.000 1.187 61 A CA -0.434 51.666 52.037 0.105 0.000 0.823 61 A CB -0.468 18.579 19.000 0.079 0.000 0.846 61 A HN 0.419 nan 8.150 nan 0.000 0.486 62 F N 1.453 121.438 119.950 0.058 0.000 2.504 62 F HA 0.380 4.908 4.527 0.002 0.000 0.369 62 F C -0.171 175.695 175.800 0.109 0.000 1.082 62 F CA -0.988 57.063 58.000 0.085 0.000 1.216 62 F CB 0.533 39.593 39.000 0.100 0.000 1.108 62 F HN 0.128 nan 8.300 nan 0.000 0.554 63 D N 5.642 125.678 120.400 -0.607 0.000 2.454 63 D HA 0.064 4.705 4.640 0.002 0.000 0.247 63 D C 0.259 176.177 176.300 -0.637 0.000 1.129 63 D CA -0.382 53.362 54.000 -0.427 0.000 0.877 63 D CB 0.351 41.023 40.800 -0.214 0.000 1.082 63 D HN 0.547 nan 8.370 nan 0.000 0.537 64 Y N 4.550 124.519 120.300 -0.552 0.000 2.163 64 Y HA -0.037 4.514 4.550 0.002 0.000 0.288 64 Y C 2.053 177.846 175.900 -0.178 0.000 1.136 64 Y CA 2.035 59.933 58.100 -0.336 0.000 1.147 64 Y CB -0.435 38.026 38.460 0.002 0.000 0.987 64 Y HN 0.478 nan 8.280 nan 0.000 0.509 65 A N 0.901 123.604 122.820 -0.195 0.000 1.909 65 A HA -0.342 3.980 4.320 0.002 0.000 0.221 65 A C 2.466 179.894 177.584 -0.260 0.000 1.223 65 A CA 2.974 54.879 52.037 -0.221 0.000 0.658 65 A CB -1.696 17.254 19.000 -0.083 0.000 0.831 65 A HN 0.664 nan 8.150 nan 0.000 0.462 66 A N -1.422 121.264 122.820 -0.224 0.000 2.015 66 A HA -0.077 4.244 4.320 0.002 0.000 0.219 66 A C 1.955 179.417 177.584 -0.204 0.000 1.163 66 A CA 1.634 53.559 52.037 -0.186 0.000 0.646 66 A CB -0.306 18.601 19.000 -0.154 0.000 0.806 66 A HN 0.537 nan 8.150 nan 0.000 0.448 67 E N -0.564 119.475 120.200 -0.270 0.000 2.021 67 E HA -0.085 4.267 4.350 0.002 0.000 0.189 67 E C 2.131 178.582 176.600 -0.249 0.000 0.980 67 E CA 1.201 57.488 56.400 -0.188 0.000 0.803 67 E CB -1.073 28.589 29.700 -0.063 0.000 0.766 67 E HN 0.299 nan 8.360 nan 0.000 0.449 68 V N 1.589 121.219 119.914 -0.472 0.000 2.720 68 V HA -0.188 3.933 4.120 0.002 0.000 0.256 68 V C 2.121 177.988 176.094 -0.379 0.000 1.082 68 V CA 1.702 63.692 62.300 -0.517 0.000 1.101 68 V CB -0.566 30.767 31.823 -0.816 0.000 0.693 68 V HN 0.268 nan 8.190 nan 0.000 0.479 69 A N 0.059 122.709 122.820 -0.284 0.000 2.019 69 A HA -0.186 4.135 4.320 0.002 0.000 0.219 69 A C 2.323 179.812 177.584 -0.157 0.000 1.164 69 A CA 2.265 54.187 52.037 -0.192 0.000 0.644 69 A CB -0.832 18.082 19.000 -0.143 0.000 0.805 69 A HN 0.738 nan 8.150 nan 0.000 0.449 70 T N -1.323 113.141 114.554 -0.149 0.000 3.129 70 T HA 0.311 4.662 4.350 0.002 0.000 0.251 70 T C 0.683 175.326 174.700 -0.094 0.000 1.117 70 T CA 0.169 62.209 62.100 -0.100 0.000 1.034 70 T CB -0.923 67.904 68.868 -0.068 0.000 0.968 70 T HN 0.558 nan 8.240 nan 0.000 0.526 71 I N -0.468 120.009 120.570 -0.155 0.000 2.575 71 I HA 0.431 4.603 4.170 0.002 0.000 0.285 71 I C -0.319 175.733 176.117 -0.108 0.000 1.085 71 I CA -0.686 60.537 61.300 -0.127 0.000 1.403 71 I CB 0.514 38.372 38.000 -0.237 0.000 1.409 71 I HN -0.200 nan 8.210 nan 0.000 0.557 72 D N 5.292 125.686 120.400 -0.011 0.000 2.383 72 D HA 0.136 4.778 4.640 0.002 0.000 0.245 72 D C 0.964 177.252 176.300 -0.020 0.000 1.263 72 D CA -0.122 53.883 54.000 0.008 0.000 0.936 72 D CB 1.280 42.120 40.800 0.066 0.000 1.053 72 D HN 0.484 nan 8.370 nan 0.000 0.507 73 V N 3.429 123.309 119.914 -0.056 0.000 2.626 73 V HA -0.176 3.945 4.120 0.002 0.000 0.252 73 V C 1.621 177.770 176.094 0.091 0.000 1.067 73 V CA 1.235 63.519 62.300 -0.026 0.000 1.081 73 V CB -0.175 31.664 31.823 0.027 0.000 0.686 73 V HN 0.440 nan 8.190 nan 0.000 0.468 74 D N 0.676 121.122 120.400 0.077 0.000 2.123 74 D HA -0.054 4.587 4.640 0.002 0.000 0.200 74 D C 2.258 178.614 176.300 0.093 0.000 0.976 74 D CA 1.547 55.600 54.000 0.088 0.000 0.831 74 D CB -0.285 40.553 40.800 0.062 0.000 0.974 74 D HN 0.412 nan 8.370 nan 0.000 0.469 75 A N 0.595 123.473 122.820 0.097 0.000 1.930 75 A HA -0.114 4.207 4.320 0.002 0.000 0.217 75 A C 2.080 179.772 177.584 0.180 0.000 1.175 75 A CA 0.873 52.992 52.037 0.137 0.000 0.627 75 A CB -0.657 18.440 19.000 0.160 0.000 0.815 75 A HN 0.231 nan 8.150 nan 0.000 0.443 76 L N 0.031 121.315 121.223 0.101 0.000 1.970 76 L HA -0.144 4.198 4.340 0.002 0.000 0.212 76 L C 2.475 179.406 176.870 0.102 0.000 1.071 76 L CA 2.952 57.750 54.840 -0.071 0.000 0.751 76 L CB -1.354 40.517 42.059 -0.313 0.000 0.889 76 L HN 0.389 nan 8.230 nan 0.000 0.432 77 T N -0.163 114.501 114.554 0.184 0.000 2.665 77 T HA -0.253 4.098 4.350 0.002 0.000 0.268 77 T C 2.010 176.762 174.700 0.086 0.000 1.035 77 T CA 1.877 64.061 62.100 0.140 0.000 1.151 77 T CB -0.317 68.629 68.868 0.130 0.000 0.862 77 T HN 0.343 nan 8.240 nan 0.000 0.438 78 R N 0.729 121.284 120.500 0.092 0.000 2.105 78 R HA -0.101 4.240 4.340 0.002 0.000 0.239 78 R C 2.174 178.526 176.300 0.087 0.000 1.135 78 R CA 1.515 57.663 56.100 0.080 0.000 0.967 78 R CB -0.272 30.075 30.300 0.077 0.000 0.861 78 R HN 0.455 nan 8.270 nan 0.000 0.442 79 D N 0.408 120.876 120.400 0.112 0.000 2.123 79 D HA -0.081 4.561 4.640 0.002 0.000 0.200 79 D C 1.958 178.323 176.300 0.109 0.000 0.976 79 D CA 0.910 54.982 54.000 0.120 0.000 0.831 79 D CB -0.105 40.807 40.800 0.186 0.000 0.974 79 D HN 0.214 nan 8.370 nan 0.000 0.469 80 I N 1.243 121.874 120.570 0.102 0.000 2.179 80 I HA -0.246 3.925 4.170 0.002 0.000 0.242 80 I C 2.264 178.454 176.117 0.122 0.000 1.088 80 I CA 1.191 62.555 61.300 0.107 0.000 1.357 80 I CB -0.216 37.823 38.000 0.065 0.000 1.051 80 I HN -0.041 nan 8.210 nan 0.000 0.409 81 E N 0.367 120.616 120.200 0.081 0.000 2.118 81 E HA -0.278 4.074 4.350 0.002 0.000 0.195 81 E C 2.087 178.714 176.600 0.046 0.000 0.992 81 E CA 1.137 57.572 56.400 0.058 0.000 0.804 81 E CB -0.066 29.665 29.700 0.052 0.000 0.741 81 E HN 0.435 nan 8.360 nan 0.000 0.458 82 E N 0.284 120.524 120.200 0.067 0.000 2.150 82 E HA -0.143 4.209 4.350 0.002 0.000 0.193 82 E C 1.994 178.648 176.600 0.089 0.000 0.985 82 E CA 0.600 57.038 56.400 0.065 0.000 0.814 82 E CB 0.299 30.039 29.700 0.067 0.000 0.752 82 E HN 0.077 nan 8.360 nan 0.000 0.466 83 V N 1.069 121.063 119.914 0.133 0.000 2.307 83 V HA -0.268 3.854 4.120 0.002 0.000 0.245 83 V C 2.411 178.656 176.094 0.250 0.000 1.045 83 V CA 1.642 64.064 62.300 0.203 0.000 1.024 83 V CB -0.352 31.621 31.823 0.249 0.000 0.651 83 V HN 0.367 nan 8.190 nan 0.000 0.449 84 M N 0.528 120.232 119.600 0.174 0.000 2.202 84 M HA -0.140 4.341 4.480 0.002 0.000 0.262 84 M C 1.940 178.094 176.300 -0.243 0.000 1.063 84 M CA 2.191 57.473 55.300 -0.030 0.000 1.097 84 M CB -0.700 31.765 32.600 -0.225 0.000 1.382 84 M HN 0.624 nan 8.290 nan 0.000 0.413 85 T N -4.155 110.294 114.554 -0.175 0.000 3.105 85 T HA 0.109 4.460 4.350 0.002 0.000 0.253 85 T C 0.459 175.121 174.700 -0.063 0.000 1.047 85 T CA -0.159 61.834 62.100 -0.178 0.000 0.944 85 T CB -0.229 68.571 68.868 -0.113 0.000 1.016 85 T HN 0.041 nan 8.240 nan 0.000 0.544 86 T N 2.523 117.097 114.554 0.034 0.000 2.853 86 T HA 0.479 4.830 4.350 0.002 0.000 0.317 86 T C -0.104 174.685 174.700 0.149 0.000 1.059 86 T CA -0.410 61.734 62.100 0.074 0.000 0.954 86 T CB 1.137 70.066 68.868 0.101 0.000 0.994 86 T HN 0.286 nan 8.240 nan 0.000 0.479 87 S N 3.535 119.245 115.700 0.016 0.000 2.564 87 S HA 0.197 4.669 4.470 0.002 0.000 0.278 87 S C -0.122 174.516 174.600 0.063 0.000 1.333 87 S CA -0.497 57.701 58.200 -0.003 0.000 1.048 87 S CB 0.307 63.435 63.200 -0.119 0.000 0.900 87 S HN 0.460 nan 8.310 nan 0.000 0.505 88 Q N 4.141 123.967 119.800 0.044 0.000 2.274 88 Q HA 0.341 4.682 4.340 0.002 0.000 0.260 88 Q C -1.585 174.266 176.000 -0.248 0.000 0.974 88 Q CA -2.359 53.315 55.803 -0.215 0.000 0.876 88 Q CB 1.352 29.676 28.738 -0.691 0.000 1.297 88 Q HN 0.459 nan 8.270 nan 0.000 0.446 89 P HA -0.156 nan 4.420 nan 0.000 0.216 89 P C 0.917 178.264 177.300 0.079 0.000 1.150 89 P CA 1.656 64.770 63.100 0.022 0.000 0.837 89 P CB -0.078 31.703 31.700 0.134 0.000 0.786 90 W N -2.934 118.479 121.300 0.189 0.000 3.047 90 W HA 0.156 4.817 4.660 0.002 0.000 0.250 90 W C 0.221 176.966 176.519 0.377 0.000 1.314 90 W CA -0.262 57.213 57.345 0.216 0.000 1.540 90 W CB -0.685 28.881 29.460 0.176 0.000 1.127 90 W HN -0.013 nan 8.180 nan 0.000 0.679 91 W N 3.468 124.687 121.300 -0.136 0.000 2.055 91 W HA 0.226 4.887 4.660 0.002 0.000 0.291 91 W C -3.032 173.488 176.519 0.002 0.000 1.037 91 W CA -1.731 55.597 57.345 -0.028 0.000 1.061 91 W CB 0.693 30.154 29.460 0.002 0.000 0.994 91 W HN -0.350 nan 8.180 nan 0.000 0.273 92 P HA 0.147 nan 4.420 nan 0.000 0.271 92 P C -0.112 177.190 177.300 0.003 0.000 1.218 92 P CA 0.298 63.391 63.100 -0.012 0.000 0.780 92 P CB 0.895 32.608 31.700 0.022 0.000 0.901 93 A N 2.677 125.350 122.820 -0.244 0.000 2.451 93 A HA 0.152 4.474 4.320 0.002 0.000 0.266 93 A C -0.023 177.232 177.584 -0.550 0.000 1.119 93 A CA -0.240 51.411 52.037 -0.644 0.000 0.786 93 A CB -0.609 17.622 19.000 -1.283 0.000 1.061 93 A HN 0.429 nan 8.150 nan 0.000 0.503 94 D N 1.856 121.989 120.400 -0.444 0.000 2.487 94 D HA 0.157 4.798 4.640 0.002 0.000 0.243 94 D C 0.207 176.220 176.300 -0.478 0.000 1.154 94 D CA 1.094 54.693 54.000 -0.669 0.000 0.876 94 D CB -0.243 40.414 40.800 -0.238 0.000 1.161 94 D HN 0.554 nan 8.370 nan 0.000 0.478 95 Y N 0.189 120.159 120.300 -0.549 0.000 4.538 95 Y HA -0.288 4.264 4.550 0.002 0.000 0.225 95 Y C 1.540 177.291 175.900 -0.249 0.000 1.074 95 Y CA 0.498 58.403 58.100 -0.324 0.000 1.942 95 Y CB -1.834 36.518 38.460 -0.181 0.000 1.618 95 Y HN 0.734 nan 8.280 nan 0.000 0.642 96 G N -0.339 108.301 108.800 -0.267 0.000 2.198 96 G HA2 -0.332 3.630 3.960 0.002 0.000 0.260 96 G HA3 -0.332 3.630 3.960 0.002 0.000 0.260 96 G C -0.366 174.428 174.900 -0.175 0.000 1.025 96 G CA 0.479 45.443 45.100 -0.226 0.000 0.769 96 G HN 0.868 nan 8.290 nan 0.000 0.507 97 H N -1.668 117.218 119.070 -0.307 0.000 3.096 97 H HA 0.313 4.870 4.556 0.002 0.000 0.335 97 H C 0.070 175.231 175.328 -0.279 0.000 0.990 97 H CA -0.720 55.188 56.048 -0.233 0.000 1.393 97 H CB 0.799 30.514 29.762 -0.078 0.000 1.742 97 H HN 0.078 nan 8.280 nan 0.000 0.501 98 Y N 2.696 122.849 120.300 -0.245 0.000 2.578 98 Y HA 0.026 4.577 4.550 0.002 0.000 0.297 98 Y C 2.245 177.821 175.900 -0.540 0.000 1.176 98 Y CA 0.799 58.618 58.100 -0.469 0.000 1.315 98 Y CB 0.034 37.977 38.460 -0.862 0.000 1.031 98 Y HN 0.795 nan 8.280 nan 0.000 0.524 99 G N 1.650 110.527 108.800 0.128 0.000 2.553 99 G HA2 -0.274 3.687 3.960 0.002 0.000 0.218 99 G HA3 -0.274 3.687 3.960 0.002 0.000 0.218 99 G C -0.518 174.435 174.900 0.088 0.000 1.195 99 G CA 1.018 46.231 45.100 0.188 0.000 0.779 99 G HN 0.290 nan 8.290 nan 0.000 0.577 100 P HA -0.006 nan 4.420 nan 0.000 0.219 100 P C 1.988 179.437 177.300 0.248 0.000 1.150 100 P CA 0.375 63.580 63.100 0.176 0.000 0.814 100 P CB -0.079 31.788 31.700 0.278 0.000 0.787 101 L N -1.406 119.958 121.223 0.235 0.000 2.046 101 L HA -0.120 4.221 4.340 0.002 0.000 0.208 101 L C 1.970 179.080 176.870 0.401 0.000 1.077 101 L CA 2.014 57.032 54.840 0.297 0.000 0.747 101 L CB -1.361 40.870 42.059 0.287 0.000 0.896 101 L HN -0.157 nan 8.230 nan 0.000 0.432 102 F N -0.306 119.773 119.950 0.216 0.000 2.234 102 F HA -0.084 4.444 4.527 0.002 0.000 0.299 102 F C 2.445 178.369 175.800 0.207 0.000 1.087 102 F CA 0.708 58.814 58.000 0.176 0.000 1.340 102 F CB -0.984 38.102 39.000 0.145 0.000 1.031 102 F HN 0.092 nan 8.300 nan 0.000 0.500 103 I N -0.287 120.512 120.570 0.382 0.000 2.179 103 I HA -0.292 3.879 4.170 0.002 0.000 0.242 103 I C 2.738 179.176 176.117 0.536 0.000 1.088 103 I CA 1.260 62.773 61.300 0.356 0.000 1.357 103 I CB -0.437 37.603 38.000 0.067 0.000 1.051 103 I HN 0.032 nan 8.210 nan 0.000 0.409 104 R N 1.266 122.044 120.500 0.464 0.000 2.073 104 R HA -0.224 4.117 4.340 0.002 0.000 0.234 104 R C 2.450 178.951 176.300 0.335 0.000 1.134 104 R CA 1.732 58.144 56.100 0.519 0.000 0.952 104 R CB -0.311 30.195 30.300 0.343 0.000 0.850 104 R HN 0.280 nan 8.270 nan 0.000 0.433 105 M N 0.172 119.920 119.600 0.247 0.000 2.106 105 M HA -0.194 4.288 4.480 0.002 0.000 0.259 105 M C 2.053 178.455 176.300 0.170 0.000 1.068 105 M CA 2.301 57.693 55.300 0.153 0.000 1.100 105 M CB -0.153 32.554 32.600 0.177 0.000 1.351 105 M HN 0.340 nan 8.290 nan 0.000 0.404 106 A N 0.289 123.280 122.820 0.284 0.000 1.898 106 A HA -0.194 4.127 4.320 0.002 0.000 0.214 106 A C 2.039 179.749 177.584 0.210 0.000 1.183 106 A CA 1.183 53.362 52.037 0.237 0.000 0.622 106 A CB -1.473 17.760 19.000 0.387 0.000 0.824 106 A HN 0.923 nan 8.150 nan 0.000 0.444 107 W N 0.394 121.856 121.300 0.270 0.000 2.355 107 W HA -0.223 4.438 4.660 0.002 0.000 0.309 107 W C 1.787 178.448 176.519 0.237 0.000 1.206 107 W CA 1.862 59.362 57.345 0.259 0.000 1.284 107 W CB -0.715 29.033 29.460 0.480 0.000 1.145 107 W HN 0.563 nan 8.180 nan 0.000 0.502 108 H N 0.419 119.198 119.070 -0.485 0.000 2.457 108 H HA -0.083 4.474 4.556 0.002 0.000 0.294 108 H C 2.490 177.565 175.328 -0.421 0.000 1.064 108 H CA 1.215 56.890 56.048 -0.622 0.000 1.330 108 H CB -0.074 29.496 29.762 -0.320 0.000 1.395 108 H HN 0.267 nan 8.280 nan 0.000 0.541 109 A N 1.046 123.780 122.820 -0.143 0.000 1.898 109 A HA -0.066 4.255 4.320 0.002 0.000 0.216 109 A C 2.546 180.001 177.584 -0.214 0.000 1.181 109 A CA 1.423 53.358 52.037 -0.171 0.000 0.620 109 A CB -0.560 18.374 19.000 -0.110 0.000 0.819 109 A HN 0.423 nan 8.150 nan 0.000 0.442 110 A N -0.906 121.782 122.820 -0.220 0.000 2.021 110 A HA 0.315 4.637 4.320 0.002 0.000 0.216 110 A C 2.103 179.562 177.584 -0.209 0.000 1.163 110 A CA 1.270 53.176 52.037 -0.219 0.000 0.676 110 A CB -0.832 18.023 19.000 -0.242 0.000 0.818 110 A HN 0.731 nan 8.150 nan 0.000 0.453 111 G N -0.401 108.169 108.800 -0.384 0.000 3.026 111 G HA2 0.103 4.064 3.960 0.002 0.000 0.208 111 G HA3 0.103 4.064 3.960 0.002 0.000 0.208 111 G C 1.211 175.782 174.900 -0.549 0.000 1.169 111 G CA 1.315 46.083 45.100 -0.554 0.000 0.788 111 G HN 0.604 nan 8.290 nan 0.000 0.533 112 T N -3.247 111.113 114.554 -0.324 0.000 3.081 112 T HA 0.141 4.493 4.350 0.002 0.000 0.250 112 T C 0.933 175.656 174.700 0.038 0.000 1.100 112 T CA -0.643 61.343 62.100 -0.190 0.000 1.038 112 T CB -0.227 68.497 68.868 -0.240 0.000 0.962 112 T HN 0.177 nan 8.240 nan 0.000 0.516 113 Y N 3.981 124.219 120.300 -0.103 0.000 2.607 113 Y HA 0.271 4.823 4.550 0.003 0.000 0.348 113 Y C 0.520 176.411 175.900 -0.015 0.000 1.261 113 Y CA -0.396 57.675 58.100 -0.048 0.000 1.480 113 Y CB 0.516 38.930 38.460 -0.077 0.000 1.358 113 Y HN 0.405 nan 8.280 nan 0.000 0.630 114 R N 6.028 126.019 120.500 -0.850 0.000 2.594 114 R HA 0.275 4.616 4.340 0.002 0.000 0.265 114 R C -0.328 175.532 176.300 -0.734 0.000 1.070 114 R CA -0.127 55.633 56.100 -0.565 0.000 0.909 114 R CB 0.272 30.451 30.300 -0.202 0.000 1.243 114 R HN 0.859 nan 8.270 nan 0.000 0.455 115 I N -1.208 119.144 120.570 -0.363 0.000 2.353 115 I HA -0.093 4.078 4.170 0.002 0.000 0.248 115 I C 1.913 177.954 176.117 -0.127 0.000 1.119 115 I CA 0.784 61.956 61.300 -0.212 0.000 1.417 115 I CB -0.432 37.575 38.000 0.012 0.000 1.078 115 I HN 0.732 nan 8.210 nan 0.000 0.421 116 H N 0.692 119.669 119.070 -0.155 0.000 2.456 116 H HA -0.173 4.384 4.556 0.002 0.000 0.296 116 H C 1.191 176.441 175.328 -0.130 0.000 1.079 116 H CA 2.053 58.035 56.048 -0.110 0.000 1.322 116 H CB 0.332 30.045 29.762 -0.082 0.000 1.388 116 H HN 0.487 nan 8.280 nan 0.000 0.538 117 D N -1.860 118.470 120.400 -0.115 0.000 2.482 117 D HA 0.067 4.709 4.640 0.002 0.000 0.251 117 D C 1.521 177.708 176.300 -0.189 0.000 1.073 117 D CA 1.041 54.957 54.000 -0.139 0.000 0.892 117 D CB 0.788 41.515 40.800 -0.123 0.000 1.202 117 D HN 0.546 nan 8.370 nan 0.000 0.496 118 G N 1.759 110.390 108.800 -0.282 0.000 2.212 118 G HA2 -0.314 3.648 3.960 0.002 0.000 0.266 118 G HA3 -0.314 3.648 3.960 0.002 0.000 0.266 118 G C 0.640 175.434 174.900 -0.176 0.000 0.978 118 G CA 0.528 45.482 45.100 -0.243 0.000 0.632 118 G HN 0.307 nan 8.290 nan 0.000 0.537 119 R N 0.341 120.718 120.500 -0.205 0.000 2.583 119 R HA 0.536 4.878 4.340 0.002 0.000 0.268 119 R C 1.159 177.409 176.300 -0.084 0.000 1.101 119 R CA 0.422 56.441 56.100 -0.135 0.000 1.180 119 R CB 0.322 30.502 30.300 -0.200 0.000 1.128 119 R HN 1.459 nan 8.270 nan 0.000 0.568 120 G N -0.723 108.095 108.800 0.029 0.000 2.855 120 G HA2 0.170 4.131 3.960 0.002 0.000 0.352 120 G HA3 0.170 4.131 3.960 0.002 0.000 0.352 120 G C -0.015 174.976 174.900 0.152 0.000 1.415 120 G CA -0.476 44.729 45.100 0.174 0.000 0.871 120 G HN 1.116 nan 8.290 nan 0.000 0.543 121 G N -2.688 106.167 108.800 0.091 0.000 2.479 121 G HA2 0.521 4.482 3.960 0.002 0.000 0.686 121 G HA3 0.521 4.482 3.960 0.002 0.000 0.686 121 G C 0.640 175.488 174.900 -0.087 0.000 1.295 121 G CA 0.826 45.935 45.100 0.014 0.000 0.922 121 G HN 2.446 nan 8.290 nan 0.000 0.582 122 A N -0.347 122.383 122.820 -0.151 0.000 2.251 122 A HA 0.537 4.858 4.320 0.002 0.000 0.209 122 A C 2.448 179.943 177.584 -0.148 0.000 1.187 122 A CA 1.656 53.596 52.037 -0.161 0.000 0.823 122 A CB -0.399 18.487 19.000 -0.191 0.000 0.846 122 A HN 2.278 nan 8.150 nan 0.000 0.486 123 G N -0.300 108.418 108.800 -0.137 0.000 2.498 123 G HA2 0.077 4.038 3.960 0.002 0.000 0.219 123 G HA3 0.077 4.038 3.960 0.002 0.000 0.219 123 G C 1.123 175.966 174.900 -0.093 0.000 1.119 123 G CA 1.165 46.190 45.100 -0.125 0.000 0.766 123 G HN 0.694 nan 8.290 nan 0.000 0.552 124 G N -1.273 107.476 108.800 -0.085 0.000 3.228 124 G HA2 0.402 4.364 3.960 0.002 0.000 0.245 124 G HA3 0.402 4.364 3.960 0.002 0.000 0.245 124 G C 1.033 175.850 174.900 -0.139 0.000 1.051 124 G CA 0.442 45.492 45.100 -0.084 0.000 0.809 124 G HN 1.220 nan 8.290 nan 0.000 0.531 125 G N 1.094 109.802 108.800 -0.155 0.000 2.273 125 G HA2 -0.301 3.660 3.960 0.002 0.000 0.280 125 G HA3 -0.301 3.660 3.960 0.002 0.000 0.280 125 G C 1.181 175.884 174.900 -0.328 0.000 1.047 125 G CA 0.573 45.545 45.100 -0.213 0.000 0.869 125 G HN 0.196 nan 8.290 nan 0.000 0.502 126 M N -0.612 118.853 119.600 -0.224 0.000 2.374 126 M HA -0.031 4.450 4.480 0.002 0.000 0.264 126 M C 2.293 178.434 176.300 -0.266 0.000 1.067 126 M CA 1.580 56.771 55.300 -0.182 0.000 1.103 126 M CB -0.632 31.933 32.600 -0.058 0.000 1.402 126 M HN 0.621 nan 8.290 nan 0.000 0.444 127 Q N 1.123 120.742 119.800 -0.303 0.000 2.439 127 Q HA -0.172 4.170 4.340 0.002 0.000 0.211 127 Q C 1.667 177.467 176.000 -0.333 0.000 0.978 127 Q CA 1.089 56.705 55.803 -0.311 0.000 0.897 127 Q CB 0.081 28.666 28.738 -0.255 0.000 0.956 127 Q HN 0.618 nan 8.270 nan 0.000 0.483 128 R N -1.773 118.437 120.500 -0.484 0.000 2.297 128 R HA 0.149 4.490 4.340 0.002 0.000 0.197 128 R C 0.007 176.037 176.300 -0.451 0.000 0.943 128 R CA 0.032 55.782 56.100 -0.583 0.000 1.038 128 R CB 0.206 29.987 30.300 -0.865 0.000 0.957 128 R HN -0.016 nan 8.270 nan 0.000 0.484 129 F N 0.521 120.345 119.950 -0.209 0.000 2.594 129 F HA 0.647 5.175 4.527 0.003 0.000 0.335 129 F C 0.524 176.236 175.800 -0.146 0.000 1.058 129 F CA -1.907 55.998 58.000 -0.158 0.000 0.981 129 F CB 1.212 40.139 39.000 -0.122 0.000 1.289 129 F HN -0.069 nan 8.300 nan 0.000 0.490 130 A N 1.597 124.491 122.820 0.124 0.000 2.366 130 A HA 0.295 4.616 4.320 0.002 0.000 0.249 130 A C -1.798 175.828 177.584 0.069 0.000 1.084 130 A CA -1.052 51.019 52.037 0.056 0.000 0.794 130 A CB -0.316 18.724 19.000 0.065 0.000 1.034 130 A HN 0.539 nan 8.150 nan 0.000 0.491 131 P HA 0.035 nan 4.420 nan 0.000 0.249 131 P C 1.006 178.168 177.300 -0.230 0.000 1.229 131 P CA 0.505 63.662 63.100 0.094 0.000 0.788 131 P CB 0.064 31.976 31.700 0.354 0.000 1.072 132 L N 0.669 121.556 121.223 -0.559 0.000 2.201 132 L HA -0.125 4.216 4.340 0.002 0.000 0.212 132 L C 2.216 178.817 176.870 -0.448 0.000 1.105 132 L CA 1.508 55.772 54.840 -0.960 0.000 0.775 132 L CB -1.161 40.355 42.059 -0.904 0.000 0.913 132 L HN 0.129 nan 8.230 nan 0.000 0.440 133 N N -1.334 117.225 118.700 -0.234 0.000 2.453 133 N HA -0.133 4.608 4.740 0.002 0.000 0.183 133 N C 1.211 176.722 175.510 0.001 0.000 1.041 133 N CA 0.988 53.969 53.050 -0.116 0.000 0.900 133 N CB -0.217 38.194 38.487 -0.127 0.000 0.961 133 N HN 0.040 nan 8.380 nan 0.000 0.443 134 S N -1.357 114.335 115.700 -0.015 0.000 2.650 134 S HA 0.185 4.656 4.470 0.002 0.000 0.240 134 S C -0.741 173.874 174.600 0.025 0.000 1.007 134 S CA -0.788 57.397 58.200 -0.025 0.000 0.984 134 S CB 0.019 63.156 63.200 -0.106 0.000 0.910 134 S HN 0.258 nan 8.310 nan 0.000 0.509 135 W N 3.101 124.255 121.300 -0.245 0.000 2.181 135 W HA 0.249 4.911 4.660 0.002 0.000 0.335 135 W C -1.985 174.358 176.519 -0.294 0.000 1.310 135 W CA -1.946 55.102 57.345 -0.496 0.000 1.226 135 W CB -0.172 29.081 29.460 -0.344 0.000 1.155 135 W HN 0.105 nan 8.180 nan 0.000 0.565 136 P HA -0.236 nan 4.420 nan 0.000 0.216 136 P C 1.204 178.413 177.300 -0.152 0.000 1.150 136 P CA 1.965 64.947 63.100 -0.196 0.000 0.843 136 P CB 0.346 31.910 31.700 -0.226 0.000 0.787 137 D N -1.977 118.390 120.400 -0.055 0.000 2.277 137 D HA -0.049 4.592 4.640 0.002 0.000 0.208 137 D C 1.021 177.421 176.300 0.166 0.000 0.962 137 D CA 0.658 54.703 54.000 0.075 0.000 0.865 137 D CB -0.584 40.267 40.800 0.085 0.000 0.939 137 D HN -0.043 nan 8.370 nan 0.000 0.510 138 N N 0.302 119.068 118.700 0.110 0.000 2.313 138 N HA 0.152 4.893 4.740 0.002 0.000 0.207 138 N C -0.453 174.893 175.510 -0.272 0.000 1.141 138 N CA -0.034 53.041 53.050 0.042 0.000 0.830 138 N CB 0.247 38.790 38.487 0.094 0.000 1.008 138 N HN 0.037 nan 8.380 nan 0.000 0.481 139 A N 0.126 122.565 122.820 -0.636 0.000 2.524 139 A HA 0.343 4.664 4.320 0.002 0.000 0.250 139 A C 0.989 178.137 177.584 -0.725 0.000 1.078 139 A CA 0.226 51.385 52.037 -1.464 0.000 0.761 139 A CB 0.070 18.125 19.000 -1.574 0.000 1.012 139 A HN 0.323 nan 8.150 nan 0.000 0.500 140 S N 0.394 115.721 115.700 -0.623 0.000 2.765 140 S HA -0.172 4.299 4.470 0.002 0.000 0.266 140 S C 0.941 175.372 174.600 -0.281 0.000 1.302 140 S CA 1.040 58.998 58.200 -0.403 0.000 1.274 140 S CB -2.214 60.831 63.200 -0.257 0.000 1.559 140 S HN 0.709 nan 8.310 nan 0.000 0.658 141 L N 2.055 123.169 121.223 -0.182 0.000 2.201 141 L HA -0.120 4.222 4.340 0.002 0.000 0.212 141 L C 2.647 179.477 176.870 -0.067 0.000 1.105 141 L CA 1.684 56.471 54.840 -0.089 0.000 0.775 141 L CB -0.719 41.289 42.059 -0.085 0.000 0.913 141 L HN 0.535 nan 8.230 nan 0.000 0.440 142 D N 0.737 121.126 120.400 -0.019 0.000 2.149 142 D HA -0.276 4.365 4.640 0.002 0.000 0.194 142 D C 1.857 178.101 176.300 -0.093 0.000 1.001 142 D CA 1.599 55.578 54.000 -0.036 0.000 0.849 142 D CB -0.203 40.638 40.800 0.067 0.000 0.939 142 D HN 0.144 nan 8.370 nan 0.000 0.449 143 K N 0.640 120.933 120.400 -0.178 0.000 2.103 143 K HA 0.184 4.505 4.320 0.002 0.000 0.204 143 K C 2.249 178.848 176.600 -0.002 0.000 1.052 143 K CA 1.284 57.481 56.287 -0.151 0.000 0.945 143 K CB -0.540 31.510 32.500 -0.750 0.000 0.722 143 K HN 0.253 nan 8.250 nan 0.000 0.443 144 A N 0.869 123.678 122.820 -0.019 0.000 1.933 144 A HA -0.175 4.146 4.320 0.002 0.000 0.218 144 A C 1.987 179.662 177.584 0.151 0.000 1.175 144 A CA 1.516 53.667 52.037 0.189 0.000 0.628 144 A CB -0.317 18.832 19.000 0.248 0.000 0.814 144 A HN 0.207 nan 8.150 nan 0.000 0.444 145 R N -1.488 119.033 120.500 0.035 0.000 2.093 145 R HA -0.025 4.317 4.340 0.002 0.000 0.224 145 R C 2.347 178.712 176.300 0.109 0.000 1.101 145 R CA 1.101 57.202 56.100 0.002 0.000 0.979 145 R CB -0.251 29.937 30.300 -0.187 0.000 0.877 145 R HN 0.355 nan 8.270 nan 0.000 0.441 146 R N 1.507 122.061 120.500 0.090 0.000 2.139 146 R HA -0.088 4.254 4.340 0.002 0.000 0.243 146 R C 1.798 178.355 176.300 0.428 0.000 1.145 146 R CA 1.360 57.577 56.100 0.195 0.000 0.976 146 R CB -0.663 29.681 30.300 0.074 0.000 0.866 146 R HN 0.217 nan 8.270 nan 0.000 0.449 147 L N -0.364 121.099 121.223 0.400 0.000 2.376 147 L HA -0.046 4.295 4.340 0.002 0.000 0.219 147 L C 1.644 178.692 176.870 0.297 0.000 1.133 147 L CA 0.634 55.674 54.840 0.333 0.000 0.816 147 L CB -0.092 42.033 42.059 0.110 0.000 0.933 147 L HN 0.201 nan 8.230 nan 0.000 0.449 148 L N -1.915 119.487 121.223 0.298 0.000 2.529 148 L HA -0.083 4.258 4.340 0.002 0.000 0.223 148 L C 2.130 179.173 176.870 0.289 0.000 1.113 148 L CA 0.029 55.003 54.840 0.222 0.000 0.861 148 L CB -0.324 41.816 42.059 0.135 0.000 1.012 148 L HN 0.490 nan 8.230 nan 0.000 0.461 149 W N 3.424 124.926 121.300 0.335 0.000 2.301 149 W HA -0.235 4.427 4.660 0.003 0.000 0.325 149 W C -0.899 175.695 176.519 0.126 0.000 1.250 149 W CA 1.707 59.230 57.345 0.297 0.000 1.261 149 W CB -1.459 28.189 29.460 0.313 0.000 1.157 149 W HN 0.091 nan 8.180 nan 0.000 0.473 150 P HA -0.254 nan 4.420 nan 0.000 0.218 150 P C 1.727 178.887 177.300 -0.233 0.000 1.152 150 P CA 2.845 65.797 63.100 -0.246 0.000 0.857 150 P CB -0.371 31.334 31.700 0.008 0.000 0.787 151 V N -0.331 119.513 119.914 -0.117 0.000 2.283 151 V HA -0.189 3.933 4.120 0.002 0.000 0.243 151 V C 2.461 178.487 176.094 -0.112 0.000 1.039 151 V CA 1.928 64.209 62.300 -0.031 0.000 1.016 151 V CB -1.133 30.686 31.823 -0.006 0.000 0.650 151 V HN 0.049 nan 8.190 nan 0.000 0.449 152 K N 1.028 121.225 120.400 -0.339 0.000 2.103 152 K HA -0.208 4.114 4.320 0.002 0.000 0.207 152 K C 2.166 178.480 176.600 -0.477 0.000 1.048 152 K CA 1.692 57.699 56.287 -0.468 0.000 0.930 152 K CB -0.348 31.653 32.500 -0.832 0.000 0.716 152 K HN 0.397 nan 8.250 nan 0.000 0.444 153 K N 0.492 120.341 120.400 -0.919 0.000 2.057 153 K HA -0.185 4.137 4.320 0.002 0.000 0.207 153 K C 2.055 178.386 176.600 -0.448 0.000 1.049 153 K CA 1.566 57.256 56.287 -0.996 0.000 0.931 153 K CB -0.069 31.565 32.500 -1.445 0.000 0.714 153 K HN 0.070 nan 8.250 nan 0.000 0.440 154 K N -0.649 119.533 120.400 -0.363 0.000 2.062 154 K HA -0.134 4.187 4.320 0.002 0.000 0.205 154 K C 1.856 178.179 176.600 -0.463 0.000 1.051 154 K CA 1.407 57.474 56.287 -0.365 0.000 0.941 154 K CB -0.004 32.275 32.500 -0.369 0.000 0.719 154 K HN 0.188 nan 8.250 nan 0.000 0.440 155 Y N -0.380 119.820 120.300 -0.166 0.000 2.347 155 Y HA 0.073 4.624 4.550 0.002 0.000 0.294 155 Y C 1.645 177.502 175.900 -0.070 0.000 1.117 155 Y CA 0.761 58.795 58.100 -0.111 0.000 1.184 155 Y CB 0.044 38.435 38.460 -0.115 0.000 1.047 155 Y HN 0.340 nan 8.280 nan 0.000 0.546 156 G N 1.101 109.915 108.800 0.023 0.000 2.531 156 G HA2 -0.417 3.544 3.960 0.002 0.000 0.274 156 G HA3 -0.417 3.544 3.960 0.002 0.000 0.274 156 G C 1.044 176.014 174.900 0.116 0.000 1.159 156 G CA 0.478 45.604 45.100 0.044 0.000 0.969 156 G HN 0.410 nan 8.290 nan 0.000 0.554 157 K N 0.787 121.284 120.400 0.162 0.000 2.365 157 K HA 0.146 4.467 4.320 0.002 0.000 0.199 157 K C 1.899 178.771 176.600 0.452 0.000 1.045 157 K CA 1.554 58.012 56.287 0.286 0.000 0.962 157 K CB -0.044 32.631 32.500 0.292 0.000 0.759 157 K HN 0.454 nan 8.250 nan 0.000 0.469 158 K N 0.502 121.077 120.400 0.291 0.000 2.486 158 K HA 0.059 4.381 4.320 0.002 0.000 0.194 158 K C -0.305 176.434 176.600 0.232 0.000 1.033 158 K CA 0.134 56.549 56.287 0.214 0.000 1.004 158 K CB 0.102 32.670 32.500 0.114 0.000 0.798 158 K HN 0.052 nan 8.250 nan 0.000 0.495 159 L N 0.656 122.057 121.223 0.297 0.000 2.482 159 L HA 0.169 4.510 4.340 0.002 0.000 0.269 159 L C -0.601 176.339 176.870 0.117 0.000 0.967 159 L CA -0.511 54.458 54.840 0.216 0.000 0.851 159 L CB 1.769 43.834 42.059 0.011 0.000 1.242 159 L HN -0.008 nan 8.230 nan 0.000 0.404 160 S N 2.119 117.879 115.700 0.100 0.000 2.617 160 S HA 0.268 4.740 4.470 0.002 0.000 0.269 160 S C 0.794 175.348 174.600 -0.077 0.000 1.292 160 S CA -0.373 57.757 58.200 -0.118 0.000 1.010 160 S CB 0.604 63.580 63.200 -0.373 0.000 0.944 160 S HN 0.745 nan 8.310 nan 0.000 0.536 161 W N 1.013 122.259 121.300 -0.090 0.000 2.358 161 W HA -0.033 4.629 4.660 0.003 0.000 0.303 161 W C 2.757 179.212 176.519 -0.106 0.000 1.208 161 W CA 1.178 58.466 57.345 -0.095 0.000 1.274 161 W CB -0.557 28.797 29.460 -0.178 0.000 1.138 161 W HN 0.925 nan 8.180 nan 0.000 0.515 162 A N 0.000 122.866 122.820 0.076 0.000 1.908 162 A HA -0.234 4.087 4.320 0.002 0.000 0.218 162 A C 1.655 179.268 177.584 0.048 0.000 1.181 162 A CA 2.232 54.269 52.037 -0.000 0.000 0.627 162 A CB -0.782 18.171 19.000 -0.079 0.000 0.818 162 A HN 0.163 nan 8.150 nan 0.000 0.445 163 D N -0.725 119.735 120.400 0.101 0.000 2.123 163 D HA -0.078 4.563 4.640 0.002 0.000 0.200 163 D C 1.859 178.292 176.300 0.223 0.000 0.976 163 D CA 1.008 55.138 54.000 0.218 0.000 0.831 163 D CB -0.339 40.702 40.800 0.402 0.000 0.974 163 D HN 0.307 nan 8.370 nan 0.000 0.469 164 L N 0.970 122.281 121.223 0.147 0.000 2.046 164 L HA -0.078 4.263 4.340 0.002 0.000 0.208 164 L C 2.089 179.019 176.870 0.099 0.000 1.077 164 L CA 1.291 56.194 54.840 0.105 0.000 0.747 164 L CB -0.589 41.442 42.059 -0.046 0.000 0.896 164 L HN 0.015 nan 8.230 nan 0.000 0.432 165 I N -0.809 119.828 120.570 0.112 0.000 2.118 165 I HA -0.317 3.854 4.170 0.002 0.000 0.241 165 I C 2.342 178.489 176.117 0.050 0.000 1.070 165 I CA 1.916 63.252 61.300 0.059 0.000 1.327 165 I CB -0.492 37.536 38.000 0.046 0.000 1.034 165 I HN 0.331 nan 8.210 nan 0.000 0.405 166 V N -2.453 117.511 119.914 0.084 0.000 2.591 166 V HA -0.183 3.939 4.120 0.002 0.000 0.249 166 V C 2.328 178.491 176.094 0.114 0.000 1.053 166 V CA 1.018 63.382 62.300 0.107 0.000 1.068 166 V CB -1.151 30.703 31.823 0.052 0.000 0.689 166 V HN 0.284 nan 8.190 nan 0.000 0.462 167 F N 2.371 122.202 119.950 -0.199 0.000 2.293 167 F HA 0.157 4.685 4.527 0.002 0.000 0.300 167 F C 2.380 178.018 175.800 -0.270 0.000 1.086 167 F CA 0.922 58.543 58.000 -0.632 0.000 1.375 167 F CB -0.521 38.026 39.000 -0.754 0.000 1.045 167 F HN 0.181 nan 8.300 nan 0.000 0.516 168 A N 0.036 122.785 122.820 -0.119 0.000 1.972 168 A HA -0.018 4.303 4.320 0.002 0.000 0.219 168 A C 2.499 180.084 177.584 0.001 0.000 1.169 168 A CA 1.564 53.525 52.037 -0.128 0.000 0.635 168 A CB -1.665 17.178 19.000 -0.262 0.000 0.810 168 A HN 0.467 nan 8.150 nan 0.000 0.446 169 G N -0.268 108.592 108.800 0.100 0.000 2.414 169 G HA2 -0.267 3.694 3.960 0.002 0.000 0.215 169 G HA3 -0.267 3.694 3.960 0.002 0.000 0.215 169 G C 1.567 176.559 174.900 0.152 0.000 1.188 169 G CA 0.881 46.154 45.100 0.289 0.000 0.783 169 G HN 0.561 nan 8.290 nan 0.000 0.537 170 N N -0.117 118.676 118.700 0.155 0.000 2.036 170 N HA -0.166 4.575 4.740 0.002 0.000 0.195 170 N C 2.268 177.625 175.510 -0.255 0.000 1.037 170 N CA 1.648 54.699 53.050 0.001 0.000 0.855 170 N CB -0.266 38.161 38.487 -0.100 0.000 1.033 170 N HN 0.283 nan 8.380 nan 0.000 0.423 171 C N 0.813 119.841 119.300 -0.454 0.000 2.413 171 C HA -0.090 4.372 4.460 0.002 0.000 0.276 171 C C 2.932 177.834 174.990 -0.146 0.000 1.248 171 C CA 0.724 59.520 59.018 -0.369 0.000 1.742 171 C CB -1.387 26.096 27.740 -0.428 0.000 2.017 171 C HN 0.527 nan 8.230 nan 0.000 0.481 172 A N 0.715 123.498 122.820 -0.061 0.000 1.859 172 A HA -0.210 4.112 4.320 0.002 0.000 0.218 172 A C 2.103 179.593 177.584 -0.157 0.000 1.209 172 A CA 2.018 54.052 52.037 -0.004 0.000 0.639 172 A CB -0.914 18.120 19.000 0.056 0.000 0.835 172 A HN 0.600 nan 8.150 nan 0.000 0.450 173 L N -0.679 120.367 121.223 -0.295 0.000 1.978 173 L HA -0.285 4.056 4.340 0.002 0.000 0.218 173 L C 2.791 179.590 176.870 -0.119 0.000 1.075 173 L CA 2.012 56.648 54.840 -0.340 0.000 0.767 173 L CB -0.763 41.074 42.059 -0.370 0.000 0.890 173 L HN 0.477 nan 8.230 nan 0.000 0.434 174 E N -0.214 119.914 120.200 -0.122 0.000 2.110 174 E HA -0.198 4.154 4.350 0.002 0.000 0.193 174 E C 2.328 178.910 176.600 -0.029 0.000 0.988 174 E CA 1.671 58.017 56.400 -0.090 0.000 0.804 174 E CB -0.158 29.468 29.700 -0.122 0.000 0.745 174 E HN 0.606 nan 8.360 nan 0.000 0.458 175 S N 0.282 115.976 115.700 -0.009 0.000 2.428 175 S HA -0.055 4.416 4.470 0.002 0.000 0.230 175 S C 1.847 176.484 174.600 0.061 0.000 1.014 175 S CA 0.652 58.887 58.200 0.058 0.000 0.957 175 S CB -0.143 63.140 63.200 0.139 0.000 0.784 175 S HN 0.143 nan 8.310 nan 0.000 0.499 176 M N 0.904 120.524 119.600 0.034 0.000 2.453 176 M HA 0.333 4.815 4.480 0.002 0.000 0.239 176 M C 1.229 177.666 176.300 0.228 0.000 1.151 176 M CA 0.452 55.802 55.300 0.084 0.000 0.989 176 M CB 0.603 33.259 32.600 0.094 0.000 1.548 176 M HN 0.604 nan 8.290 nan 0.000 0.479 177 G N 1.123 110.022 108.800 0.165 0.000 2.148 177 G HA2 -0.248 3.714 3.960 0.002 0.000 0.203 177 G HA3 -0.248 3.714 3.960 0.002 0.000 0.203 177 G C -0.434 174.571 174.900 0.175 0.000 0.993 177 G CA -0.682 44.525 45.100 0.177 0.000 0.661 177 G HN 0.418 nan 8.290 nan 0.000 0.518 178 F N 2.509 122.395 119.950 -0.107 0.000 2.361 178 F HA 0.617 5.146 4.527 0.002 0.000 0.364 178 F C 0.507 176.134 175.800 -0.288 0.000 1.117 178 F CA -1.605 56.157 58.000 -0.396 0.000 1.071 178 F CB 0.996 39.636 39.000 -0.600 0.000 1.188 178 F HN -0.050 nan 8.300 nan 0.000 0.464 179 K N 5.456 125.452 120.400 -0.673 0.000 2.378 179 K HA 0.149 4.470 4.320 0.002 0.000 0.288 179 K C -0.050 176.011 176.600 -0.897 0.000 1.057 179 K CA 0.015 55.955 56.287 -0.579 0.000 0.971 179 K CB 0.418 32.702 32.500 -0.361 0.000 0.975 179 K HN 0.812 nan 8.250 nan 0.000 0.475 180 T N 1.009 115.237 114.554 -0.543 0.000 2.902 180 T HA 0.153 4.505 4.350 0.002 0.000 0.280 180 T C 1.064 175.692 174.700 -0.120 0.000 0.992 180 T CA -0.752 61.141 62.100 -0.345 0.000 1.015 180 T CB 0.673 69.513 68.868 -0.046 0.000 1.044 180 T HN 0.511 nan 8.240 nan 0.000 0.520 181 F N 1.264 121.135 119.950 -0.132 0.000 2.206 181 F HA 0.364 4.893 4.527 0.003 0.000 0.298 181 F C 1.108 176.808 175.800 -0.166 0.000 1.090 181 F CA 1.583 59.476 58.000 -0.179 0.000 1.323 181 F CB -0.390 38.477 39.000 -0.221 0.000 1.028 181 F HN 1.115 nan 8.300 nan 0.000 0.492 182 G N -1.301 107.574 108.800 0.126 0.000 2.323 182 G HA2 0.345 4.306 3.960 0.002 0.000 0.291 182 G HA3 0.345 4.306 3.960 0.002 0.000 0.291 182 G C -2.185 173.142 174.900 0.712 0.000 1.278 182 G CA -0.421 44.802 45.100 0.205 0.000 0.860 182 G HN 0.191 nan 8.290 nan 0.000 0.504 183 F N -0.266 119.950 119.950 0.444 0.000 2.672 183 F HA 0.660 5.189 4.527 0.003 0.000 0.311 183 F C -0.163 175.800 175.800 0.272 0.000 1.113 183 F CA 0.146 58.406 58.000 0.434 0.000 0.996 183 F CB 2.064 41.261 39.000 0.328 0.000 1.286 183 F HN 1.045 nan 8.300 nan 0.000 0.441 184 G N 4.164 112.699 108.800 -0.440 0.000 2.544 184 G HA2 0.549 4.510 3.960 0.002 0.000 0.313 184 G HA3 0.549 4.510 3.960 0.002 0.000 0.313 184 G C -1.453 173.019 174.900 -0.713 0.000 1.316 184 G CA -0.480 44.420 45.100 -0.333 0.000 0.944 184 G HN 0.476 nan 8.290 nan 0.000 0.489 185 F N 0.610 120.453 119.950 -0.179 0.000 2.373 185 F HA 0.557 5.085 4.527 0.002 0.000 0.302 185 F C 1.586 177.334 175.800 -0.087 0.000 1.247 185 F CA 1.053 59.005 58.000 -0.080 0.000 1.169 185 F CB 1.426 40.415 39.000 -0.018 0.000 1.309 185 F HN 0.730 nan 8.300 nan 0.000 0.537 186 G N 0.040 109.013 108.800 0.289 0.000 2.273 186 G HA2 -0.163 3.798 3.960 0.002 0.000 0.162 186 G HA3 -0.163 3.798 3.960 0.002 0.000 0.162 186 G C -0.112 174.943 174.900 0.258 0.000 1.006 186 G CA -0.879 44.376 45.100 0.257 0.000 0.704 186 G HN 0.484 nan 8.290 nan 0.000 0.487 187 R N 1.036 121.629 120.500 0.155 0.000 2.343 187 R HA 0.431 4.773 4.340 0.002 0.000 0.326 187 R C 0.250 176.496 176.300 -0.090 0.000 1.055 187 R CA -0.138 55.965 56.100 0.004 0.000 0.961 187 R CB 1.232 31.496 30.300 -0.060 0.000 0.978 187 R HN 0.088 nan 8.270 nan 0.000 0.443 188 V N 4.041 123.902 119.914 -0.088 0.000 2.488 188 V HA -0.013 4.108 4.120 0.002 0.000 0.277 188 V C 0.393 176.382 176.094 -0.175 0.000 1.046 188 V CA -0.337 61.859 62.300 -0.173 0.000 0.986 188 V CB 0.888 32.721 31.823 0.017 0.000 0.989 188 V HN 0.632 nan 8.190 nan 0.000 0.475 189 D N 4.137 124.377 120.400 -0.267 0.000 2.458 189 D HA 0.145 4.786 4.640 0.002 0.000 0.243 189 D C 0.344 176.366 176.300 -0.463 0.000 1.146 189 D CA 0.263 54.045 54.000 -0.363 0.000 0.877 189 D CB 0.643 41.165 40.800 -0.465 0.000 1.176 189 D HN 0.501 nan 8.370 nan 0.000 0.461 190 Q N 1.563 121.104 119.800 -0.432 0.000 2.194 190 Q HA 0.310 4.652 4.340 0.002 0.000 0.245 190 Q C 0.328 175.995 176.000 -0.554 0.000 0.993 190 Q CA -0.562 55.053 55.803 -0.313 0.000 0.930 190 Q CB 0.974 29.714 28.738 0.003 0.000 1.238 190 Q HN 0.611 nan 8.270 nan 0.000 0.486 191 W N -0.066 121.346 121.300 0.187 0.000 2.725 191 W HA 0.134 4.795 4.660 0.002 0.000 0.336 191 W C 0.253 176.620 176.519 -0.254 0.000 1.012 191 W CA -0.245 57.151 57.345 0.085 0.000 1.566 191 W CB 1.122 30.609 29.460 0.044 0.000 1.068 191 W HN 0.612 nan 8.180 nan 0.000 0.546 192 E N 0.809 120.941 120.200 -0.113 0.000 2.340 192 E HA 0.402 4.753 4.350 0.002 0.000 0.273 192 E C -2.721 173.751 176.600 -0.213 0.000 0.891 192 E CA -2.584 53.629 56.400 -0.311 0.000 0.757 192 E CB 2.262 31.907 29.700 -0.091 0.000 1.231 192 E HN -0.345 nan 8.360 nan 0.000 0.439 193 P HA 0.023 nan 4.420 nan 0.000 0.267 193 P C -0.643 176.689 177.300 0.054 0.000 1.205 193 P CA -0.033 63.078 63.100 0.018 0.000 0.765 193 P CB 0.600 32.310 31.700 0.017 0.000 0.828 194 D N 2.630 123.088 120.400 0.097 0.000 2.363 194 D HA 0.003 4.645 4.640 0.002 0.000 0.263 194 D C -0.217 176.127 176.300 0.074 0.000 1.258 194 D CA 0.284 54.325 54.000 0.068 0.000 0.907 194 D CB 0.058 40.896 40.800 0.063 0.000 1.107 194 D HN 0.204 nan 8.370 nan 0.000 0.495 195 E N 2.302 122.524 120.200 0.037 0.000 2.180 195 E HA 0.342 4.693 4.350 0.002 0.000 0.283 195 E C -0.767 175.798 176.600 -0.058 0.000 1.061 195 E CA -0.467 55.953 56.400 0.034 0.000 0.861 195 E CB 0.996 30.716 29.700 0.033 0.000 1.056 195 E HN 0.187 nan 8.360 nan 0.000 0.407 196 V N 3.908 123.718 119.914 -0.173 0.000 2.823 196 V HA 0.161 4.282 4.120 0.002 0.000 0.312 196 V C -0.916 174.805 176.094 -0.622 0.000 1.072 196 V CA -1.051 60.946 62.300 -0.506 0.000 0.937 196 V CB 1.382 32.637 31.823 -0.948 0.000 1.013 196 V HN 0.588 nan 8.190 nan 0.000 0.430 197 Y N 2.127 122.096 120.300 -0.552 0.000 2.531 197 Y HA 0.209 4.760 4.550 0.002 0.000 0.347 197 Y C 0.230 175.880 175.900 -0.417 0.000 1.024 197 Y CA -0.536 57.349 58.100 -0.359 0.000 1.306 197 Y CB 0.608 38.942 38.460 -0.210 0.000 1.149 197 Y HN 0.765 nan 8.280 nan 0.000 0.527 198 W N 4.037 125.082 121.300 -0.426 0.000 3.177 198 W HA 0.470 5.131 4.660 0.002 0.000 0.309 198 W C 0.768 176.956 176.519 -0.552 0.000 1.224 198 W CA 0.453 57.617 57.345 -0.301 0.000 1.718 198 W CB 0.660 30.174 29.460 0.091 0.000 1.078 198 W HN 0.959 nan 8.180 nan 0.000 0.618 199 G N -0.177 108.062 108.800 -0.934 0.000 2.347 199 G HA2 -0.102 3.859 3.960 0.002 0.000 0.321 199 G HA3 -0.102 3.859 3.960 0.002 0.000 0.321 199 G C 0.010 174.724 174.900 -0.311 0.000 1.412 199 G CA -0.842 43.874 45.100 -0.640 0.000 0.990 199 G HN -0.109 nan 8.290 nan 0.000 0.637 200 K N -0.209 120.175 120.400 -0.028 0.000 2.148 200 K HA -0.026 4.296 4.320 0.002 0.000 0.204 200 K C 0.638 177.224 176.600 -0.023 0.000 1.050 200 K CA 1.119 57.441 56.287 0.058 0.000 0.942 200 K CB -0.057 32.477 32.500 0.056 0.000 0.724 200 K HN 0.538 nan 8.250 nan 0.000 0.446 201 E N -0.087 120.069 120.200 -0.074 0.000 2.415 201 E HA -0.034 4.317 4.350 0.002 0.000 0.263 201 E C 0.209 176.706 176.600 -0.170 0.000 0.995 201 E CA 0.001 56.339 56.400 -0.104 0.000 0.915 201 E CB 0.992 30.629 29.700 -0.104 0.000 0.951 201 E HN 0.196 nan 8.360 nan 0.000 0.449 202 A N 3.322 126.049 122.820 -0.155 0.000 2.308 202 A HA 0.107 4.429 4.320 0.002 0.000 0.217 202 A C 0.301 177.731 177.584 -0.256 0.000 1.216 202 A CA -0.039 51.876 52.037 -0.204 0.000 0.864 202 A CB 0.183 19.107 19.000 -0.127 0.000 0.902 202 A HN 0.486 nan 8.150 nan 0.000 0.499 203 T N -0.748 113.677 114.554 -0.215 0.000 2.824 203 T HA 0.379 4.730 4.350 0.002 0.000 0.280 203 T C -0.482 174.107 174.700 -0.184 0.000 0.995 203 T CA -0.417 61.577 62.100 -0.177 0.000 1.009 203 T CB 0.716 69.552 68.868 -0.053 0.000 0.955 203 T HN 0.391 nan 8.240 nan 0.000 0.452 204 W N 2.998 124.275 121.300 -0.038 0.000 2.223 204 W HA 0.329 4.991 4.660 0.003 0.000 0.334 204 W C 0.946 177.423 176.519 -0.069 0.000 1.334 204 W CA -0.569 56.733 57.345 -0.071 0.000 1.246 204 W CB -0.013 29.427 29.460 -0.034 0.000 1.184 204 W HN 0.700 nan 8.180 nan 0.000 0.563 205 L N 1.934 123.283 121.223 0.209 0.000 5.051 205 L HA -0.230 4.111 4.340 0.002 0.000 0.432 205 L C 1.283 178.184 176.870 0.052 0.000 1.055 205 L CA 0.676 55.565 54.840 0.083 0.000 1.095 205 L CB -2.118 39.989 42.059 0.080 0.000 1.957 205 L HN 0.719 nan 8.230 nan 0.000 0.727 206 G N 0.451 109.272 108.800 0.035 0.000 2.484 206 G HA2 0.302 4.263 3.960 0.002 0.000 0.235 206 G HA3 0.302 4.263 3.960 0.002 0.000 0.235 206 G C -0.374 174.535 174.900 0.015 0.000 1.282 206 G CA 0.813 45.919 45.100 0.012 0.000 0.857 206 G HN 0.290 nan 8.290 nan 0.000 0.571 207 D N -0.320 120.102 120.400 0.037 0.000 2.542 207 D HA 0.326 4.967 4.640 0.002 0.000 0.252 207 D C -0.041 176.302 176.300 0.072 0.000 1.222 207 D CA -0.626 53.417 54.000 0.071 0.000 0.895 207 D CB 1.163 42.036 40.800 0.122 0.000 1.207 207 D HN 0.372 nan 8.370 nan 0.000 0.558 208 E N 2.759 122.990 120.200 0.052 0.000 3.254 208 E HA 0.137 4.489 4.350 0.002 0.000 0.184 208 E C 0.510 177.127 176.600 0.028 0.000 0.967 208 E CA -0.011 56.416 56.400 0.044 0.000 1.311 208 E CB 0.755 30.467 29.700 0.019 0.000 1.071 208 E HN 0.495 nan 8.360 nan 0.000 0.456 209 R N -0.496 120.014 120.500 0.017 0.000 2.476 209 R HA 0.222 4.564 4.340 0.002 0.000 0.276 209 R C -0.374 175.774 176.300 -0.254 0.000 0.941 209 R CA -0.230 55.795 56.100 -0.124 0.000 1.088 209 R CB 0.205 30.376 30.300 -0.215 0.000 1.216 209 R HN -0.055 nan 8.270 nan 0.000 0.533 210 Y N 1.564 121.874 120.300 0.017 0.000 2.364 210 Y HA 0.408 4.960 4.550 0.002 0.000 0.340 210 Y C 0.231 176.140 175.900 0.015 0.000 0.975 210 Y CA -0.651 57.460 58.100 0.018 0.000 1.089 210 Y CB 2.161 40.635 38.460 0.023 0.000 1.192 210 Y HN 0.104 nan 8.280 nan 0.000 0.454 211 S N 1.220 117.019 115.700 0.165 0.000 2.600 211 S HA 0.912 5.383 4.470 0.002 0.000 0.300 211 S C 0.278 174.940 174.600 0.103 0.000 1.087 211 S CA -0.157 58.106 58.200 0.105 0.000 0.965 211 S CB 1.779 65.012 63.200 0.056 0.000 1.089 211 S HN 1.420 nan 8.310 nan 0.000 0.496 212 G N 2.416 111.258 108.800 0.070 0.000 2.514 212 G HA2 -0.285 3.676 3.960 0.002 0.000 0.265 212 G HA3 -0.285 3.676 3.960 0.002 0.000 0.265 212 G C 0.395 175.326 174.900 0.052 0.000 1.150 212 G CA 0.565 45.698 45.100 0.055 0.000 0.959 212 G HN 0.811 nan 8.290 nan 0.000 0.556 213 K N -0.286 120.144 120.400 0.050 0.000 2.044 213 K HA 0.303 4.625 4.320 0.002 0.000 0.204 213 K C 2.341 178.957 176.600 0.027 0.000 1.049 213 K CA 1.970 58.276 56.287 0.031 0.000 0.945 213 K CB -0.040 32.476 32.500 0.027 0.000 0.724 213 K HN 0.403 nan 8.250 nan 0.000 0.440 214 R N -0.346 120.202 120.500 0.081 0.000 2.467 214 R HA 0.103 4.445 4.340 0.002 0.000 0.253 214 R C -1.261 175.275 176.300 0.393 0.000 0.910 214 R CA -0.057 56.118 56.100 0.125 0.000 1.167 214 R CB 0.356 30.664 30.300 0.013 0.000 1.748 214 R HN 0.019 nan 8.270 nan 0.000 0.465 215 D N 2.015 122.556 120.400 0.235 0.000 2.581 215 D HA -0.092 4.549 4.640 0.002 0.000 0.238 215 D C -0.168 176.219 176.300 0.145 0.000 1.145 215 D CA 0.554 54.657 54.000 0.172 0.000 0.866 215 D CB 0.597 41.449 40.800 0.086 0.000 1.151 215 D HN 0.027 nan 8.370 nan 0.000 0.500 216 L N 2.455 123.675 121.223 -0.004 0.000 2.371 216 L HA 0.105 4.447 4.340 0.002 0.000 0.272 216 L C 0.542 177.258 176.870 -0.257 0.000 1.124 216 L CA -0.260 54.334 54.840 -0.410 0.000 0.816 216 L CB 0.927 42.792 42.059 -0.323 0.000 1.129 216 L HN 0.325 nan 8.230 nan 0.000 0.448 217 E N 3.305 123.323 120.200 -0.302 0.000 2.351 217 E HA 0.008 4.360 4.350 0.002 0.000 0.266 217 E C -0.611 175.890 176.600 -0.165 0.000 1.031 217 E CA -0.026 56.271 56.400 -0.172 0.000 0.911 217 E CB 0.121 29.749 29.700 -0.119 0.000 0.986 217 E HN 0.730 nan 8.360 nan 0.000 0.446 218 N N 5.663 124.244 118.700 -0.199 0.000 2.497 218 N HA 0.073 4.814 4.740 0.002 0.000 0.268 218 N C -1.909 173.479 175.510 -0.205 0.000 1.171 218 N CA -0.999 51.849 53.050 -0.337 0.000 0.948 218 N CB 0.923 39.022 38.487 -0.647 0.000 1.069 218 N HN 0.455 nan 8.380 nan 0.000 0.460 219 P HA 0.155 nan 4.420 nan 0.000 0.289 219 P C -0.674 176.579 177.300 -0.077 0.000 1.599 219 P CA 0.029 63.028 63.100 -0.169 0.000 1.239 219 P CB 0.443 32.187 31.700 0.073 0.000 1.581 220 L N 0.194 121.372 121.223 -0.075 0.000 2.436 220 L HA 0.545 4.887 4.340 0.002 0.000 0.265 220 L C 1.098 177.944 176.870 -0.041 0.000 1.168 220 L CA -0.454 54.356 54.840 -0.049 0.000 0.815 220 L CB 0.646 42.659 42.059 -0.077 0.000 1.109 220 L HN -0.072 nan 8.230 nan 0.000 0.462 221 A N 1.538 124.358 122.820 -0.001 0.000 2.594 221 A HA 0.723 5.044 4.320 0.002 0.000 0.292 221 A C 0.067 177.672 177.584 0.034 0.000 1.026 221 A CA 0.168 52.221 52.037 0.027 0.000 0.983 221 A CB 0.342 19.355 19.000 0.022 0.000 1.233 221 A HN 0.731 nan 8.150 nan 0.000 0.519 222 A N -0.837 121.993 122.820 0.017 0.000 2.566 222 A HA 0.632 4.954 4.320 0.002 0.000 0.292 222 A C 0.674 178.289 177.584 0.052 0.000 1.112 222 A CA 0.239 52.293 52.037 0.029 0.000 0.707 222 A CB 0.676 19.636 19.000 -0.066 0.000 1.302 222 A HN 1.170 nan 8.150 nan 0.000 0.409 223 V N -2.298 117.694 119.914 0.131 0.000 3.506 223 V HA 0.301 4.422 4.120 0.002 0.000 0.263 223 V C 0.320 176.526 176.094 0.187 0.000 1.203 223 V CA 1.117 63.573 62.300 0.261 0.000 1.133 223 V CB -0.929 31.083 31.823 0.315 0.000 0.802 223 V HN 0.725 nan 8.190 nan 0.000 0.459 224 Q N -0.515 119.317 119.800 0.054 0.000 2.565 224 Q HA 0.567 4.909 4.340 0.002 0.000 0.294 224 Q C -1.247 174.688 176.000 -0.108 0.000 1.005 224 Q CA -1.061 54.744 55.803 0.004 0.000 0.771 224 Q CB 2.212 30.965 28.738 0.023 0.000 1.486 224 Q HN 0.292 nan 8.270 nan 0.000 0.422 225 M N 0.887 120.422 119.600 -0.108 0.000 2.184 225 M HA 0.387 4.868 4.480 0.002 0.000 0.351 225 M C 0.587 176.721 176.300 -0.277 0.000 1.395 225 M CA 1.357 56.548 55.300 -0.181 0.000 1.117 225 M CB -0.262 32.267 32.600 -0.118 0.000 1.708 225 M HN 0.780 nan 8.290 nan 0.000 0.468 226 G N 4.148 112.412 108.800 -0.893 0.000 2.132 226 G HA2 -0.161 3.801 3.960 0.002 0.000 0.228 226 G HA3 -0.161 3.801 3.960 0.002 0.000 0.228 226 G C -0.456 173.877 174.900 -0.946 0.000 1.000 226 G CA 0.112 44.297 45.100 -1.525 0.000 0.693 226 G HN 0.693 nan 8.290 nan 0.000 0.515 227 L N 0.213 121.006 121.223 -0.716 0.000 2.342 227 L HA 0.492 4.833 4.340 0.002 0.000 0.271 227 L C 1.576 178.284 176.870 -0.270 0.000 1.008 227 L CA -1.485 53.169 54.840 -0.310 0.000 0.818 227 L CB 1.246 43.231 42.059 -0.123 0.000 1.296 227 L HN -0.129 nan 8.230 nan 0.000 0.427 228 I N 0.792 121.246 120.570 -0.194 0.000 2.235 228 I HA -0.165 4.007 4.170 0.002 0.000 0.241 228 I C 1.278 177.055 176.117 -0.567 0.000 1.085 228 I CA 2.041 63.100 61.300 -0.401 0.000 1.378 228 I CB -0.592 36.991 38.000 -0.695 0.000 1.076 228 I HN 0.626 nan 8.210 nan 0.000 0.415 229 Y N -0.368 119.958 120.300 0.043 0.000 3.183 229 Y HA 0.286 4.837 4.550 0.002 0.000 0.200 229 Y C 0.678 176.679 175.900 0.168 0.000 0.912 229 Y CA -0.164 58.009 58.100 0.122 0.000 1.642 229 Y CB 0.051 38.656 38.460 0.242 0.000 1.447 229 Y HN -0.117 nan 8.280 nan 0.000 0.421 230 V N -1.820 118.334 119.914 0.401 0.000 3.160 230 V HA 0.510 4.631 4.120 0.002 0.000 0.310 230 V C -0.811 175.427 176.094 0.239 0.000 1.181 230 V CA -1.338 61.141 62.300 0.297 0.000 1.047 230 V CB 1.710 33.720 31.823 0.311 0.000 1.068 230 V HN 0.228 nan 8.190 nan 0.000 0.441 231 N N 2.626 121.442 118.700 0.193 0.000 2.452 231 N HA 0.328 5.069 4.740 0.002 0.000 0.266 231 N C -1.556 174.071 175.510 0.195 0.000 1.175 231 N CA -1.571 51.580 53.050 0.170 0.000 0.945 231 N CB 1.640 40.210 38.487 0.139 0.000 1.063 231 N HN 0.572 nan 8.380 nan 0.000 0.472 232 P HA -0.119 nan 4.420 nan 0.000 0.218 232 P C 0.025 177.452 177.300 0.212 0.000 1.148 232 P CA 1.330 64.570 63.100 0.233 0.000 0.822 232 P CB 0.327 32.168 31.700 0.234 0.000 0.784 233 E N -0.055 120.262 120.200 0.196 0.000 2.359 233 E HA 0.317 4.668 4.350 0.002 0.000 0.187 233 E C 0.794 177.501 176.600 0.179 0.000 1.081 233 E CA -0.146 56.385 56.400 0.218 0.000 0.929 233 E CB -0.453 29.401 29.700 0.257 0.000 1.086 233 E HN 0.185 nan 8.360 nan 0.000 0.462 234 G N 2.226 111.120 108.800 0.156 0.000 2.829 234 G HA2 -0.212 3.749 3.960 0.002 0.000 0.628 234 G HA3 -0.212 3.749 3.960 0.002 0.000 0.628 234 G C -2.754 172.202 174.900 0.094 0.000 1.412 234 G CA -1.296 43.873 45.100 0.115 0.000 0.864 234 G HN -0.027 nan 8.290 nan 0.000 0.544 235 P HA 0.118 nan 4.420 nan 0.000 0.260 235 P C 0.466 177.784 177.300 0.031 0.000 1.185 235 P CA 0.617 63.733 63.100 0.027 0.000 0.763 235 P CB 0.120 31.806 31.700 -0.023 0.000 0.776 236 N N 3.216 121.941 118.700 0.043 0.000 2.716 236 N HA -0.241 4.500 4.740 0.002 0.000 0.250 236 N C 1.080 176.641 175.510 0.086 0.000 1.033 236 N CA 1.611 54.694 53.050 0.055 0.000 0.727 236 N CB -1.495 37.009 38.487 0.028 0.000 0.950 236 N HN 0.862 nan 8.380 nan 0.000 0.541 237 G N -0.464 108.406 108.800 0.116 0.000 2.212 237 G HA2 -0.370 3.591 3.960 0.002 0.000 0.266 237 G HA3 -0.370 3.591 3.960 0.002 0.000 0.266 237 G C 0.027 175.052 174.900 0.208 0.000 0.978 237 G CA 0.432 45.642 45.100 0.184 0.000 0.632 237 G HN 0.622 nan 8.290 nan 0.000 0.537 238 N N 1.479 120.235 118.700 0.092 0.000 2.401 238 N HA 0.370 5.112 4.740 0.002 0.000 0.255 238 N C -2.111 173.366 175.510 -0.055 0.000 1.110 238 N CA -1.796 51.248 53.050 -0.009 0.000 0.949 238 N CB 1.297 39.775 38.487 -0.015 0.000 1.110 238 N HN 0.114 nan 8.380 nan 0.000 0.490 239 P HA 0.083 nan 4.420 nan 0.000 0.237 239 P C -0.643 176.655 177.300 -0.003 0.000 1.723 239 P CA -0.123 62.920 63.100 -0.094 0.000 0.882 239 P CB -0.398 31.129 31.700 -0.289 0.000 1.810 240 D N 1.412 121.805 120.400 -0.012 0.000 2.393 240 D HA 0.110 4.752 4.640 0.002 0.000 0.232 240 D C -1.467 174.846 176.300 0.021 0.000 1.192 240 D CA -2.266 51.735 54.000 0.001 0.000 0.882 240 D CB 0.991 41.779 40.800 -0.021 0.000 1.038 240 D HN 0.018 nan 8.370 nan 0.000 0.499 241 P HA -0.166 nan 4.420 nan 0.000 0.216 241 P C 1.471 178.770 177.300 -0.002 0.000 1.150 241 P CA 0.867 63.960 63.100 -0.013 0.000 0.837 241 P CB 0.143 31.777 31.700 -0.111 0.000 0.786 242 M N -0.030 119.562 119.600 -0.012 0.000 2.067 242 M HA -0.112 4.369 4.480 0.002 0.000 0.260 242 M C 1.974 178.272 176.300 -0.003 0.000 1.069 242 M CA 2.109 57.402 55.300 -0.013 0.000 1.117 242 M CB -1.313 31.274 32.600 -0.021 0.000 1.334 242 M HN -0.128 nan 8.290 nan 0.000 0.407 243 A N -0.362 122.457 122.820 -0.001 0.000 1.898 243 A HA 0.080 4.401 4.320 0.002 0.000 0.216 243 A C 2.373 179.971 177.584 0.023 0.000 1.181 243 A CA 1.981 54.019 52.037 0.000 0.000 0.620 243 A CB -1.504 17.490 19.000 -0.011 0.000 0.819 243 A HN 0.656 nan 8.150 nan 0.000 0.442 244 A N -0.045 122.801 122.820 0.043 0.000 1.978 244 A HA 0.096 4.418 4.320 0.002 0.000 0.220 244 A C 2.441 180.089 177.584 0.107 0.000 1.170 244 A CA 2.110 54.194 52.037 0.079 0.000 0.636 244 A CB -0.950 18.104 19.000 0.090 0.000 0.810 244 A HN 1.118 nan 8.150 nan 0.000 0.448 245 A N -0.579 122.300 122.820 0.099 0.000 1.972 245 A HA 0.015 4.336 4.320 0.002 0.000 0.219 245 A C 2.147 179.789 177.584 0.098 0.000 1.169 245 A CA 1.775 53.903 52.037 0.153 0.000 0.635 245 A CB -0.721 18.332 19.000 0.089 0.000 0.810 245 A HN 0.442 nan 8.150 nan 0.000 0.446 246 V N 0.192 120.138 119.914 0.053 0.000 2.453 246 V HA -0.171 3.950 4.120 0.002 0.000 0.247 246 V C 1.995 178.154 176.094 0.108 0.000 1.048 246 V CA 2.021 64.348 62.300 0.045 0.000 1.049 246 V CB -0.747 31.089 31.823 0.022 0.000 0.672 246 V HN 0.432 nan 8.190 nan 0.000 0.457 247 D N 0.325 120.802 120.400 0.128 0.000 2.144 247 D HA -0.057 4.584 4.640 0.002 0.000 0.200 247 D C 2.076 178.532 176.300 0.260 0.000 0.978 247 D CA 1.166 55.280 54.000 0.190 0.000 0.833 247 D CB -0.156 40.743 40.800 0.166 0.000 0.961 247 D HN 0.381 nan 8.370 nan 0.000 0.470 248 I N 0.464 121.183 120.570 0.248 0.000 2.142 248 I HA -0.249 3.922 4.170 0.002 0.000 0.240 248 I C 2.552 178.863 176.117 0.324 0.000 1.078 248 I CA 0.862 62.332 61.300 0.284 0.000 1.343 248 I CB -0.225 37.845 38.000 0.116 0.000 1.046 248 I HN -0.077 nan 8.210 nan 0.000 0.405 249 R N 1.018 121.682 120.500 0.273 0.000 2.113 249 R HA -0.288 4.053 4.340 0.002 0.000 0.244 249 R C 2.251 178.696 176.300 0.241 0.000 1.142 249 R CA 2.309 58.546 56.100 0.230 0.000 0.953 249 R CB -0.179 30.172 30.300 0.085 0.000 0.860 249 R HN 0.245 nan 8.270 nan 0.000 0.438 250 E N -0.488 119.850 120.200 0.229 0.000 2.051 250 E HA -0.102 4.249 4.350 0.002 0.000 0.189 250 E C 1.861 178.612 176.600 0.252 0.000 0.979 250 E CA 2.088 58.618 56.400 0.215 0.000 0.803 250 E CB -0.195 29.625 29.700 0.201 0.000 0.761 250 E HN 0.547 nan 8.360 nan 0.000 0.451 251 T N -1.654 113.093 114.554 0.322 0.000 2.777 251 T HA -0.112 4.240 4.350 0.002 0.000 0.266 251 T C 1.863 176.793 174.700 0.384 0.000 1.040 251 T CA 1.123 63.442 62.100 0.366 0.000 1.141 251 T CB -0.702 68.456 68.868 0.482 0.000 0.868 251 T HN 0.085 nan 8.240 nan 0.000 0.444 252 F N 1.728 121.800 119.950 0.204 0.000 2.186 252 F HA 0.204 4.732 4.527 0.002 0.000 0.299 252 F C 2.898 178.790 175.800 0.153 0.000 1.090 252 F CA 0.782 58.839 58.000 0.095 0.000 1.307 252 F CB -0.374 38.594 39.000 -0.052 0.000 1.019 252 F HN 0.042 nan 8.300 nan 0.000 0.489 253 R N 0.651 121.334 120.500 0.305 0.000 2.083 253 R HA -0.159 4.182 4.340 0.002 0.000 0.237 253 R C 2.100 178.513 176.300 0.189 0.000 1.137 253 R CA 1.589 57.820 56.100 0.218 0.000 0.951 253 R CB -0.228 30.180 30.300 0.181 0.000 0.851 253 R HN 0.183 nan 8.270 nan 0.000 0.434 254 R N -0.413 120.197 120.500 0.183 0.000 2.339 254 R HA 0.015 4.357 4.340 0.002 0.000 0.199 254 R C 0.986 177.364 176.300 0.129 0.000 1.018 254 R CA 0.664 56.844 56.100 0.134 0.000 1.036 254 R CB 0.143 30.505 30.300 0.103 0.000 0.899 254 R HN 0.331 nan 8.270 nan 0.000 0.473 255 M N -0.650 119.074 119.600 0.206 0.000 2.589 255 M HA 0.279 4.760 4.480 0.002 0.000 0.344 255 M C 0.124 176.594 176.300 0.283 0.000 1.168 255 M CA -0.171 55.301 55.300 0.287 0.000 0.956 255 M CB 1.382 34.190 32.600 0.347 0.000 1.370 255 M HN 0.108 nan 8.290 nan 0.000 0.518 256 A N 0.530 123.484 122.820 0.224 0.000 3.061 256 A HA -0.125 4.196 4.320 0.002 0.000 0.244 256 A C -0.111 177.543 177.584 0.117 0.000 1.357 256 A CA 0.713 52.849 52.037 0.165 0.000 0.889 256 A CB -1.478 17.612 19.000 0.150 0.000 1.092 256 A HN 0.469 nan 8.150 nan 0.000 0.694 257 M N 1.366 121.070 119.600 0.172 0.000 2.243 257 M HA 0.313 4.795 4.480 0.002 0.000 0.324 257 M C 0.579 176.995 176.300 0.194 0.000 1.031 257 M CA -0.608 54.804 55.300 0.187 0.000 0.949 257 M CB 1.036 33.815 32.600 0.299 0.000 1.615 257 M HN 0.662 nan 8.290 nan 0.000 0.430 258 N N 1.784 120.578 118.700 0.156 0.000 2.374 258 N HA 0.215 4.956 4.740 0.002 0.000 0.284 258 N C -0.171 175.436 175.510 0.161 0.000 1.280 258 N CA -0.780 52.360 53.050 0.150 0.000 0.963 258 N CB 1.190 39.753 38.487 0.127 0.000 1.141 258 N HN 0.425 nan 8.380 nan 0.000 0.565 259 D N -0.174 120.320 120.400 0.156 0.000 2.144 259 D HA -0.091 4.551 4.640 0.002 0.000 0.200 259 D C 2.040 178.452 176.300 0.187 0.000 0.978 259 D CA 0.912 55.041 54.000 0.215 0.000 0.833 259 D CB -0.147 40.741 40.800 0.147 0.000 0.961 259 D HN 0.281 nan 8.370 nan 0.000 0.470 260 V N 1.696 121.710 119.914 0.166 0.000 2.270 260 V HA -0.228 3.894 4.120 0.002 0.000 0.245 260 V C 2.330 178.597 176.094 0.288 0.000 1.043 260 V CA 1.668 64.111 62.300 0.240 0.000 1.014 260 V CB -0.507 31.467 31.823 0.251 0.000 0.645 260 V HN 0.161 nan 8.190 nan 0.000 0.447 261 E N 0.041 120.359 120.200 0.196 0.000 2.049 261 E HA -0.238 4.114 4.350 0.002 0.000 0.198 261 E C 2.247 178.904 176.600 0.096 0.000 1.007 261 E CA 1.992 58.487 56.400 0.158 0.000 0.809 261 E CB -0.505 29.271 29.700 0.128 0.000 0.749 261 E HN 0.555 nan 8.360 nan 0.000 0.450 262 T N 0.949 115.518 114.554 0.026 0.000 2.665 262 T HA -0.243 4.109 4.350 0.002 0.000 0.268 262 T C 2.002 176.433 174.700 -0.450 0.000 1.035 262 T CA 1.605 63.529 62.100 -0.294 0.000 1.151 262 T CB -0.334 68.333 68.868 -0.335 0.000 0.862 262 T HN 0.321 nan 8.240 nan 0.000 0.438 263 A N 1.093 123.760 122.820 -0.255 0.000 1.930 263 A HA 0.259 4.580 4.320 0.002 0.000 0.217 263 A C 2.626 180.235 177.584 0.041 0.000 1.175 263 A CA 1.713 53.622 52.037 -0.213 0.000 0.627 263 A CB -1.008 17.936 19.000 -0.094 0.000 0.815 263 A HN 0.511 nan 8.150 nan 0.000 0.443 264 A N -0.047 122.885 122.820 0.187 0.000 1.877 264 A HA -0.043 4.279 4.320 0.002 0.000 0.216 264 A C 2.171 179.645 177.584 -0.184 0.000 1.186 264 A CA 1.463 53.461 52.037 -0.064 0.000 0.620 264 A CB -0.639 18.371 19.000 0.017 0.000 0.822 264 A HN 0.461 nan 8.150 nan 0.000 0.443 265 L N -0.611 120.576 121.223 -0.059 0.000 2.012 265 L HA -0.224 4.118 4.340 0.002 0.000 0.210 265 L C 2.553 179.118 176.870 -0.508 0.000 1.073 265 L CA 1.592 56.377 54.840 -0.093 0.000 0.748 265 L CB -0.598 41.458 42.059 -0.005 0.000 0.891 265 L HN 0.405 nan 8.230 nan 0.000 0.431 266 I N -1.117 119.062 120.570 -0.652 0.000 2.163 266 I HA -0.249 3.922 4.170 0.002 0.000 0.240 266 I C 2.493 177.948 176.117 -1.103 0.000 1.081 266 I CA 0.997 61.745 61.300 -0.919 0.000 1.353 266 I CB -0.438 37.050 38.000 -0.853 0.000 1.054 266 I HN -0.022 nan 8.210 nan 0.000 0.407 267 V N 1.420 120.759 119.914 -0.958 0.000 2.250 267 V HA -0.312 3.809 4.120 0.002 0.000 0.250 267 V C 2.635 178.061 176.094 -1.114 0.000 1.060 267 V CA 2.450 64.045 62.300 -1.175 0.000 1.030 267 V CB -1.704 29.788 31.823 -0.551 0.000 0.643 267 V HN 0.622 nan 8.190 nan 0.000 0.445 268 G N -0.385 107.750 108.800 -1.107 0.000 2.446 268 G HA2 -0.173 3.789 3.960 0.002 0.000 0.217 268 G HA3 -0.173 3.789 3.960 0.002 0.000 0.217 268 G C 1.588 175.948 174.900 -0.900 0.000 1.168 268 G CA 1.083 45.245 45.100 -1.564 0.000 0.771 268 G HN 0.627 nan 8.290 nan 0.000 0.551 269 G N -0.338 108.042 108.800 -0.700 0.000 2.414 269 G HA2 -0.143 3.819 3.960 0.002 0.000 0.215 269 G HA3 -0.143 3.819 3.960 0.002 0.000 0.215 269 G C 1.480 176.232 174.900 -0.247 0.000 1.188 269 G CA 0.773 45.711 45.100 -0.269 0.000 0.783 269 G HN 0.638 nan 8.290 nan 0.000 0.537 270 H N 0.103 118.642 119.070 -0.885 0.000 2.563 270 H HA 0.019 4.576 4.556 0.002 0.000 0.272 270 H C 2.279 177.210 175.328 -0.662 0.000 1.005 270 H CA 0.486 55.796 56.048 -1.230 0.000 1.171 270 H CB 0.246 28.910 29.762 -1.831 0.000 1.351 270 H HN 0.253 nan 8.280 nan 0.000 0.602 271 T N 0.492 114.721 114.554 -0.543 0.000 2.977 271 T HA -0.093 4.258 4.350 0.002 0.000 0.271 271 T C 0.050 174.375 174.700 -0.623 0.000 1.105 271 T CA 0.971 62.698 62.100 -0.623 0.000 1.116 271 T CB -0.100 68.166 68.868 -1.003 0.000 0.878 271 T HN 0.086 nan 8.240 nan 0.000 0.509 272 F N -0.143 119.778 119.950 -0.050 0.000 2.532 272 F HA 0.582 5.110 4.527 0.002 0.000 0.321 272 F C 1.120 177.034 175.800 0.190 0.000 1.089 272 F CA -0.618 57.404 58.000 0.036 0.000 0.926 272 F CB 1.539 40.550 39.000 0.019 0.000 1.168 272 F HN 0.199 nan 8.300 nan 0.000 0.459 273 G N 2.576 111.595 108.800 0.366 0.000 2.562 273 G HA2 -0.079 3.883 3.960 0.002 0.000 0.250 273 G HA3 -0.079 3.883 3.960 0.002 0.000 0.250 273 G C -1.082 174.047 174.900 0.382 0.000 1.269 273 G CA 0.003 45.340 45.100 0.395 0.000 0.919 273 G HN 1.037 nan 8.290 nan 0.000 0.574 274 K N -1.979 118.562 120.400 0.236 0.000 2.578 274 K HA 0.729 5.050 4.320 0.002 0.000 0.287 274 K C -0.243 176.125 176.600 -0.386 0.000 1.010 274 K CA -0.289 55.857 56.287 -0.235 0.000 0.889 274 K CB 1.253 33.613 32.500 -0.234 0.000 1.514 274 K HN 1.334 nan 8.250 nan 0.000 0.424 275 T N -1.155 113.035 114.554 -0.607 0.000 2.918 275 T HA 0.426 4.778 4.350 0.002 0.000 0.283 275 T C -0.682 173.684 174.700 -0.556 0.000 1.001 275 T CA -0.517 61.354 62.100 -0.382 0.000 1.041 275 T CB 0.494 69.200 68.868 -0.269 0.000 1.028 275 T HN 0.628 nan 8.240 nan 0.000 0.511 276 H N -0.398 118.662 119.070 -0.016 0.000 2.708 276 H HA 0.616 5.173 4.556 0.002 0.000 0.320 276 H C 0.436 175.746 175.328 -0.030 0.000 0.991 276 H CA -0.749 55.293 56.048 -0.011 0.000 1.243 276 H CB 1.342 31.134 29.762 0.049 0.000 1.446 276 H HN 1.051 nan 8.280 nan 0.000 0.502 277 G N 1.315 110.118 108.800 0.006 0.000 4.613 277 G HA2 0.408 4.370 3.960 0.002 0.000 0.232 277 G HA3 0.408 4.370 3.960 0.002 0.000 0.232 277 G C 0.864 175.700 174.900 -0.107 0.000 0.947 277 G CA 0.121 45.193 45.100 -0.047 0.000 0.715 277 G HN 0.718 nan 8.290 nan 0.000 0.518 278 A N -0.133 122.629 122.820 -0.097 0.000 1.898 278 A HA 0.523 4.845 4.320 0.002 0.000 0.216 278 A C 1.549 178.854 177.584 -0.465 0.000 1.181 278 A CA 1.835 53.789 52.037 -0.138 0.000 0.620 278 A CB -0.116 18.913 19.000 0.048 0.000 0.819 278 A HN 1.028 nan 8.150 nan 0.000 0.442 279 G N -1.961 106.375 108.800 -0.774 0.000 3.211 279 G HA2 0.555 4.517 3.960 0.002 0.000 0.262 279 G HA3 0.555 4.517 3.960 0.002 0.000 0.262 279 G C -3.229 171.376 174.900 -0.491 0.000 1.352 279 G CA -1.349 43.053 45.100 -1.162 0.000 1.004 279 G HN 0.057 nan 8.290 nan 0.000 0.559 280 P HA 0.330 nan 4.420 nan 0.000 0.279 280 P C 0.569 177.822 177.300 -0.079 0.000 1.239 280 P CA 0.054 63.062 63.100 -0.152 0.000 0.789 280 P CB 1.609 33.256 31.700 -0.088 0.000 0.933 281 A N 3.333 126.123 122.820 -0.050 0.000 2.019 281 A HA -0.197 4.125 4.320 0.002 0.000 0.219 281 A C 1.684 179.285 177.584 0.029 0.000 1.164 281 A CA 1.827 53.863 52.037 -0.002 0.000 0.644 281 A CB -1.251 17.748 19.000 -0.003 0.000 0.805 281 A HN 0.633 nan 8.150 nan 0.000 0.449 282 D N 0.231 120.641 120.400 0.016 0.000 2.309 282 D HA -0.137 4.504 4.640 0.002 0.000 0.212 282 D C 1.278 177.607 176.300 0.047 0.000 0.968 282 D CA 0.866 54.885 54.000 0.031 0.000 0.882 282 D CB -0.503 40.308 40.800 0.018 0.000 0.918 282 D HN 0.473 nan 8.370 nan 0.000 0.503 283 L N 0.294 121.549 121.223 0.053 0.000 2.628 283 L HA 0.207 4.548 4.340 0.002 0.000 0.229 283 L C 0.027 176.962 176.870 0.108 0.000 1.137 283 L CA -0.284 54.606 54.840 0.083 0.000 0.909 283 L CB 0.718 42.844 42.059 0.112 0.000 1.137 283 L HN -0.149 nan 8.230 nan 0.000 0.470 284 V N -0.069 119.911 119.914 0.110 0.000 2.435 284 V HA 0.494 4.615 4.120 0.002 0.000 0.290 284 V C 0.938 177.123 176.094 0.152 0.000 1.030 284 V CA -0.655 61.738 62.300 0.155 0.000 0.881 284 V CB 1.366 33.294 31.823 0.175 0.000 0.983 284 V HN 0.234 nan 8.190 nan 0.000 0.445 285 G N 5.199 114.085 108.800 0.143 0.000 2.553 285 G HA2 0.411 4.372 3.960 0.002 0.000 0.278 285 G HA3 0.411 4.372 3.960 0.002 0.000 0.278 285 G C -2.421 172.488 174.900 0.015 0.000 1.349 285 G CA -0.916 44.226 45.100 0.070 0.000 1.037 285 G HN 0.595 nan 8.290 nan 0.000 0.508 286 P HA 0.118 nan 4.420 nan 0.000 0.271 286 P C 0.188 177.220 177.300 -0.447 0.000 1.218 286 P CA -0.208 62.791 63.100 -0.167 0.000 0.780 286 P CB 0.797 32.425 31.700 -0.120 0.000 0.901 287 E N 3.982 123.792 120.200 -0.650 0.000 2.425 287 E HA -0.010 4.341 4.350 0.002 0.000 0.258 287 E C -1.929 174.168 176.600 -0.838 0.000 1.151 287 E CA -1.257 54.374 56.400 -1.282 0.000 0.958 287 E CB -0.937 28.253 29.700 -0.850 0.000 0.968 287 E HN 0.201 nan 8.360 nan 0.000 0.451 288 P HA -0.206 nan 4.420 nan 0.000 0.215 288 P C 1.065 178.188 177.300 -0.294 0.000 1.163 288 P CA 1.592 64.396 63.100 -0.492 0.000 0.894 288 P CB 0.135 31.586 31.700 -0.416 0.000 0.791 289 E N -1.096 118.963 120.200 -0.233 0.000 2.265 289 E HA -0.080 4.271 4.350 0.002 0.000 0.196 289 E C 1.661 178.202 176.600 -0.098 0.000 0.996 289 E CA 1.197 57.527 56.400 -0.117 0.000 0.832 289 E CB -0.522 29.155 29.700 -0.038 0.000 0.756 289 E HN 0.226 nan 8.360 nan 0.000 0.491 290 A N 0.112 122.852 122.820 -0.133 0.000 2.390 290 A HA 0.492 4.813 4.320 0.002 0.000 0.232 290 A C 0.960 178.478 177.584 -0.110 0.000 1.233 290 A CA 0.298 52.280 52.037 -0.091 0.000 0.907 290 A CB 0.295 19.261 19.000 -0.057 0.000 0.967 290 A HN 0.118 nan 8.150 nan 0.000 0.512 291 A N 0.827 123.557 122.820 -0.150 0.000 2.279 291 A HA 0.689 5.011 4.320 0.002 0.000 0.303 291 A C -2.594 174.928 177.584 -0.102 0.000 1.108 291 A CA -1.532 50.422 52.037 -0.139 0.000 0.830 291 A CB -0.133 18.752 19.000 -0.191 0.000 1.106 291 A HN 0.189 nan 8.150 nan 0.000 0.493 292 P HA 0.216 nan 4.420 nan 0.000 0.272 292 P C 0.841 178.097 177.300 -0.073 0.000 1.223 292 P CA -0.382 62.679 63.100 -0.065 0.000 0.784 292 P CB 0.405 32.075 31.700 -0.051 0.000 0.923 293 L N 1.350 122.534 121.223 -0.065 0.000 2.021 293 L HA -0.243 4.098 4.340 0.002 0.000 0.215 293 L C 2.285 179.110 176.870 -0.074 0.000 1.074 293 L CA 1.780 56.578 54.840 -0.069 0.000 0.760 293 L CB -0.928 41.096 42.059 -0.059 0.000 0.889 293 L HN 0.563 nan 8.230 nan 0.000 0.433 294 E N 0.475 120.637 120.200 -0.063 0.000 2.396 294 E HA -0.285 4.067 4.350 0.002 0.000 0.200 294 E C 1.598 178.152 176.600 -0.076 0.000 1.023 294 E CA 1.258 57.620 56.400 -0.062 0.000 0.857 294 E CB -0.341 29.331 29.700 -0.046 0.000 0.775 294 E HN 0.653 nan 8.360 nan 0.000 0.525 295 Q N -0.243 119.506 119.800 -0.086 0.000 2.425 295 Q HA 0.150 4.491 4.340 0.002 0.000 0.204 295 Q C 0.054 175.972 176.000 -0.137 0.000 0.933 295 Q CA -0.047 55.695 55.803 -0.101 0.000 0.939 295 Q CB 0.140 28.821 28.738 -0.095 0.000 1.044 295 Q HN 0.166 nan 8.270 nan 0.000 0.513 296 M N -0.103 119.416 119.600 -0.135 0.000 2.632 296 M HA -0.224 4.257 4.480 0.002 0.000 0.184 296 M C 0.646 176.839 176.300 -0.179 0.000 0.976 296 M CA 1.194 56.400 55.300 -0.157 0.000 0.612 296 M CB -2.453 30.041 32.600 -0.178 0.000 1.181 296 M HN 0.591 nan 8.290 nan 0.000 0.840 297 G N -0.209 108.494 108.800 -0.162 0.000 2.168 297 G HA2 -0.278 3.683 3.960 0.002 0.000 0.263 297 G HA3 -0.278 3.683 3.960 0.002 0.000 0.263 297 G C 0.152 174.938 174.900 -0.189 0.000 0.977 297 G CA 0.630 45.627 45.100 -0.172 0.000 0.659 297 G HN 0.550 nan 8.290 nan 0.000 0.533 298 L N -0.148 120.966 121.223 -0.182 0.000 2.375 298 L HA 0.770 5.111 4.340 0.002 0.000 0.268 298 L C 0.986 177.741 176.870 -0.191 0.000 1.058 298 L CA -0.158 54.582 54.840 -0.166 0.000 0.803 298 L CB 1.706 43.679 42.059 -0.142 0.000 1.212 298 L HN 0.264 nan 8.230 nan 0.000 0.451 299 G N -1.264 107.421 108.800 -0.192 0.000 2.866 299 G HA2 0.397 4.358 3.960 0.002 0.000 0.289 299 G HA3 0.397 4.358 3.960 0.002 0.000 0.289 299 G C -1.147 173.724 174.900 -0.049 0.000 1.396 299 G CA -0.461 44.425 45.100 -0.356 0.000 0.848 299 G HN 0.755 nan 8.290 nan 0.000 0.515 300 W N -0.302 120.970 121.300 -0.045 0.000 5.538 300 W HA -0.177 4.485 4.660 0.002 0.000 0.377 300 W C 0.722 177.256 176.519 0.025 0.000 1.406 300 W CA 0.891 58.226 57.345 -0.016 0.000 0.940 300 W CB -1.075 28.368 29.460 -0.029 0.000 2.536 300 W HN 0.589 nan 8.180 nan 0.000 1.504 301 K N 1.872 122.374 120.400 0.169 0.000 2.447 301 K HA 0.205 4.526 4.320 0.002 0.000 0.281 301 K C 0.693 177.395 176.600 0.169 0.000 1.031 301 K CA 0.541 56.926 56.287 0.164 0.000 1.019 301 K CB 0.668 33.223 32.500 0.092 0.000 0.918 301 K HN 0.019 nan 8.250 nan 0.000 0.476 302 S N 2.393 118.212 115.700 0.199 0.000 2.525 302 S HA 0.176 4.648 4.470 0.002 0.000 0.290 302 S C 0.608 175.296 174.600 0.147 0.000 1.152 302 S CA -0.391 57.919 58.200 0.183 0.000 1.072 302 S CB 1.562 64.894 63.200 0.220 0.000 1.027 302 S HN 0.671 nan 8.310 nan 0.000 0.500 303 S N 2.960 118.739 115.700 0.132 0.000 2.556 303 S HA 0.118 4.590 4.470 0.002 0.000 0.216 303 S C 0.143 174.802 174.600 0.099 0.000 0.970 303 S CA -0.368 57.889 58.200 0.094 0.000 0.912 303 S CB -0.569 62.676 63.200 0.075 0.000 0.790 303 S HN 0.794 nan 8.310 nan 0.000 0.504 304 Y N 3.970 124.287 120.300 0.028 0.000 2.697 304 Y HA 0.422 4.974 4.550 0.002 0.000 0.349 304 Y C 1.233 177.130 175.900 -0.005 0.000 1.120 304 Y CA 0.666 58.773 58.100 0.010 0.000 1.468 304 Y CB -0.554 37.912 38.460 0.011 0.000 1.182 304 Y HN 0.498 nan 8.280 nan 0.000 0.525 305 G N 4.086 112.534 108.800 -0.587 0.000 2.561 305 G HA2 -0.439 3.523 3.960 0.002 0.000 0.289 305 G HA3 -0.439 3.523 3.960 0.002 0.000 0.289 305 G C 0.994 175.758 174.900 -0.227 0.000 1.169 305 G CA 0.826 45.624 45.100 -0.502 0.000 0.980 305 G HN 1.205 nan 8.290 nan 0.000 0.550 306 T N -0.944 113.498 114.554 -0.187 0.000 3.085 306 T HA 0.389 4.740 4.350 0.002 0.000 0.263 306 T C 2.676 177.358 174.700 -0.030 0.000 1.127 306 T CA 1.783 63.823 62.100 -0.100 0.000 1.103 306 T CB -0.024 68.770 68.868 -0.123 0.000 0.921 306 T HN 2.786 nan 8.240 nan 0.000 0.510 307 G N 1.273 110.069 108.800 -0.007 0.000 2.179 307 G HA2 -0.238 3.724 3.960 0.002 0.000 0.260 307 G HA3 -0.238 3.724 3.960 0.002 0.000 0.260 307 G C 0.322 175.291 174.900 0.115 0.000 0.977 307 G CA 0.800 45.963 45.100 0.105 0.000 0.641 307 G HN 1.292 nan 8.290 nan 0.000 0.533 308 T N -3.900 110.630 114.554 -0.040 0.000 2.838 308 T HA 0.853 5.204 4.350 0.002 0.000 0.292 308 T C 1.536 175.965 174.700 -0.450 0.000 1.113 308 T CA 0.760 62.706 62.100 -0.256 0.000 1.008 308 T CB 1.718 70.513 68.868 -0.122 0.000 1.259 308 T HN 2.073 nan 8.240 nan 0.000 0.520 309 G N 2.158 110.531 108.800 -0.712 0.000 2.634 309 G HA2 -0.441 3.520 3.960 0.002 0.000 0.318 309 G HA3 -0.441 3.520 3.960 0.002 0.000 0.318 309 G C 0.944 175.498 174.900 -0.577 0.000 1.207 309 G CA 1.319 45.972 45.100 -0.745 0.000 0.987 309 G HN 1.405 nan 8.290 nan 0.000 0.547 310 K N 0.444 120.330 120.400 -0.856 0.000 2.283 310 K HA 0.056 4.377 4.320 0.002 0.000 0.202 310 K C 1.188 177.703 176.600 -0.141 0.000 1.048 310 K CA 1.942 58.003 56.287 -0.377 0.000 0.948 310 K CB 0.026 32.298 32.500 -0.381 0.000 0.742 310 K HN 0.457 nan 8.250 nan 0.000 0.458 311 D N 1.267 121.579 120.400 -0.147 0.000 2.349 311 D HA 0.099 4.741 4.640 0.002 0.000 0.214 311 D C 0.035 176.403 176.300 0.115 0.000 1.063 311 D CA 0.070 54.113 54.000 0.072 0.000 0.847 311 D CB 0.456 41.240 40.800 -0.026 0.000 0.933 311 D HN 0.323 nan 8.370 nan 0.000 0.513 312 A N 1.525 124.325 122.820 -0.033 0.000 2.546 312 A HA 0.267 4.588 4.320 0.002 0.000 0.243 312 A C 0.154 177.809 177.584 0.118 0.000 1.063 312 A CA 0.037 52.062 52.037 -0.019 0.000 0.757 312 A CB -0.175 18.673 19.000 -0.255 0.000 0.991 312 A HN 0.289 nan 8.150 nan 0.000 0.503 313 I N 1.722 122.380 120.570 0.147 0.000 2.465 313 I HA 0.667 4.839 4.170 0.002 0.000 0.291 313 I C 0.320 176.505 176.117 0.113 0.000 1.014 313 I CA 0.131 61.495 61.300 0.106 0.000 1.093 313 I CB 2.308 40.315 38.000 0.011 0.000 1.267 313 I HN 0.499 nan 8.210 nan 0.000 0.431 314 T N 2.448 117.054 114.554 0.088 0.000 3.280 314 T HA 0.066 4.418 4.350 0.002 0.000 0.256 314 T C 1.164 175.830 174.700 -0.056 0.000 0.995 314 T CA 0.989 63.089 62.100 -0.000 0.000 1.144 314 T CB 0.124 69.044 68.868 0.086 0.000 1.140 314 T HN 0.751 nan 8.240 nan 0.000 0.423 315 T N -1.191 113.374 114.554 0.019 0.000 2.990 315 T HA 0.476 4.828 4.350 0.002 0.000 0.250 315 T C 1.787 176.486 174.700 -0.001 0.000 1.041 315 T CA 0.972 63.079 62.100 0.011 0.000 1.010 315 T CB 0.446 69.355 68.868 0.068 0.000 1.003 315 T HN 0.655 nan 8.240 nan 0.000 0.499 316 G N 1.628 110.421 108.800 -0.012 0.000 2.194 316 G HA2 -0.171 3.790 3.960 0.002 0.000 0.236 316 G HA3 -0.171 3.790 3.960 0.002 0.000 0.236 316 G C -0.024 174.844 174.900 -0.054 0.000 0.987 316 G CA -0.041 45.032 45.100 -0.044 0.000 0.635 316 G HN 0.645 nan 8.290 nan 0.000 0.520 317 I N 0.533 121.083 120.570 -0.034 0.000 2.428 317 I HA 0.590 4.761 4.170 0.002 0.000 0.296 317 I C 0.091 176.142 176.117 -0.109 0.000 0.985 317 I CA -0.769 60.496 61.300 -0.057 0.000 1.260 317 I CB 1.732 39.718 38.000 -0.023 0.000 1.389 317 I HN 0.012 nan 8.210 nan 0.000 0.484 318 E N 5.188 125.304 120.200 -0.139 0.000 2.346 318 E HA 0.509 4.861 4.350 0.002 0.000 0.239 318 E C -1.661 174.797 176.600 -0.237 0.000 0.943 318 E CA -0.292 56.000 56.400 -0.181 0.000 0.751 318 E CB 1.099 30.719 29.700 -0.134 0.000 1.241 318 E HN 0.326 nan 8.360 nan 0.000 0.423 319 V N 4.282 123.968 119.914 -0.381 0.000 2.668 319 V HA 0.423 4.545 4.120 0.002 0.000 0.304 319 V C -0.861 174.794 176.094 -0.733 0.000 1.071 319 V CA -0.887 61.090 62.300 -0.539 0.000 0.894 319 V CB 2.214 33.613 31.823 -0.706 0.000 1.008 319 V HN 0.378 nan 8.190 nan 0.000 0.425 320 V N 4.401 124.007 119.914 -0.513 0.000 2.350 320 V HA 0.304 4.425 4.120 0.002 0.000 0.285 320 V C 0.571 176.495 176.094 -0.283 0.000 1.014 320 V CA -0.422 61.644 62.300 -0.391 0.000 0.831 320 V CB 1.532 33.281 31.823 -0.123 0.000 1.000 320 V HN 0.966 nan 8.190 nan 0.000 0.433 321 W N 2.561 123.833 121.300 -0.046 0.000 2.379 321 W HA -0.051 4.610 4.660 0.002 0.000 0.307 321 W C 1.338 177.842 176.519 -0.026 0.000 1.200 321 W CA 1.488 58.823 57.345 -0.017 0.000 1.297 321 W CB -0.326 29.211 29.460 0.128 0.000 1.140 321 W HN 0.646 nan 8.180 nan 0.000 0.507 322 T N -1.990 112.689 114.554 0.209 0.000 2.919 322 T HA 0.259 4.611 4.350 0.002 0.000 0.282 322 T C 0.519 175.204 174.700 -0.025 0.000 1.020 322 T CA -0.300 61.837 62.100 0.060 0.000 0.994 322 T CB 1.710 70.568 68.868 -0.016 0.000 1.180 322 T HN 0.161 nan 8.240 nan 0.000 0.566 323 N N -1.019 117.646 118.700 -0.057 0.000 2.325 323 N HA 0.100 4.842 4.740 0.002 0.000 0.182 323 N C 0.347 175.772 175.510 -0.141 0.000 1.088 323 N CA -0.098 52.906 53.050 -0.077 0.000 0.879 323 N CB 0.367 38.831 38.487 -0.039 0.000 0.983 323 N HN 0.735 nan 8.380 nan 0.000 0.471 324 T N -2.277 112.174 114.554 -0.172 0.000 3.331 324 T HA 0.418 4.770 4.350 0.002 0.000 0.381 324 T C -2.511 172.029 174.700 -0.267 0.000 1.656 324 T CA -1.886 60.084 62.100 -0.217 0.000 1.453 324 T CB 1.427 70.192 68.868 -0.172 0.000 1.066 324 T HN -0.133 nan 8.240 nan 0.000 0.655 325 P HA 0.068 nan 4.420 nan 0.000 0.237 325 P C 1.141 178.346 177.300 -0.158 0.000 1.178 325 P CA 0.529 63.452 63.100 -0.296 0.000 0.766 325 P CB 0.027 31.421 31.700 -0.509 0.000 0.876 326 T N -4.482 109.948 114.554 -0.206 0.000 3.228 326 T HA 0.340 4.691 4.350 0.002 0.000 0.278 326 T C 0.121 174.804 174.700 -0.027 0.000 1.014 326 T CA -0.427 61.611 62.100 -0.103 0.000 0.904 326 T CB -0.058 68.681 68.868 -0.215 0.000 1.110 326 T HN -0.095 nan 8.240 nan 0.000 0.541 327 K N 0.554 120.951 120.400 -0.006 0.000 2.498 327 K HA 0.350 4.672 4.320 0.002 0.000 0.254 327 K C -1.657 174.912 176.600 -0.052 0.000 0.933 327 K CA -0.922 55.388 56.287 0.039 0.000 0.806 327 K CB 1.934 34.416 32.500 -0.031 0.000 1.301 327 K HN 0.361 nan 8.250 nan 0.000 0.432 328 W N 5.882 127.147 121.300 -0.058 0.000 2.311 328 W HA 0.196 4.857 4.660 0.002 0.000 0.310 328 W C -1.078 175.365 176.519 -0.127 0.000 1.274 328 W CA 0.443 57.685 57.345 -0.172 0.000 1.215 328 W CB 0.562 30.098 29.460 0.127 0.000 1.227 328 W HN 0.874 nan 8.180 nan 0.000 0.523 329 D N 1.736 121.653 120.400 -0.805 0.000 2.946 329 D HA 0.080 4.721 4.640 0.002 0.000 0.337 329 D C -0.286 175.526 176.300 -0.814 0.000 1.332 329 D CA -0.690 52.920 54.000 -0.650 0.000 0.935 329 D CB 0.350 40.968 40.800 -0.304 0.000 1.440 329 D HN 0.362 nan 8.370 nan 0.000 0.540 330 N N -0.894 117.534 118.700 -0.453 0.000 2.280 330 N HA -0.026 4.715 4.740 0.002 0.000 0.192 330 N C 1.024 176.417 175.510 -0.196 0.000 1.109 330 N CA 0.419 53.266 53.050 -0.338 0.000 0.855 330 N CB 0.229 38.607 38.487 -0.182 0.000 0.974 330 N HN 0.380 nan 8.380 nan 0.000 0.482 331 S N -0.015 115.565 115.700 -0.202 0.000 2.469 331 S HA -0.168 4.303 4.470 0.002 0.000 0.238 331 S C 1.629 176.213 174.600 -0.027 0.000 0.998 331 S CA 0.377 58.519 58.200 -0.096 0.000 0.957 331 S CB -0.562 62.578 63.200 -0.100 0.000 0.764 331 S HN 0.433 nan 8.310 nan 0.000 0.514 332 F N 2.055 121.891 119.950 -0.191 0.000 2.075 332 F HA 0.033 4.562 4.527 0.002 0.000 0.297 332 F C 1.943 177.731 175.800 -0.020 0.000 1.113 332 F CA 1.664 59.592 58.000 -0.119 0.000 1.218 332 F CB -0.381 38.478 39.000 -0.234 0.000 0.984 332 F HN 0.185 nan 8.300 nan 0.000 0.472 333 L N 0.035 121.335 121.223 0.127 0.000 2.141 333 L HA -0.165 4.176 4.340 0.002 0.000 0.209 333 L C 2.352 179.319 176.870 0.163 0.000 1.094 333 L CA 1.441 56.385 54.840 0.173 0.000 0.763 333 L CB -0.695 41.532 42.059 0.279 0.000 0.908 333 L HN 0.242 nan 8.230 nan 0.000 0.437 334 E N 0.247 120.491 120.200 0.074 0.000 2.106 334 E HA -0.199 4.152 4.350 0.002 0.000 0.192 334 E C 2.259 178.914 176.600 0.091 0.000 0.984 334 E CA 1.117 57.553 56.400 0.060 0.000 0.806 334 E CB -0.012 29.691 29.700 0.004 0.000 0.750 334 E HN 0.490 nan 8.360 nan 0.000 0.458 335 I N 0.648 121.282 120.570 0.107 0.000 2.233 335 I HA -0.230 3.942 4.170 0.002 0.000 0.243 335 I C 2.454 178.794 176.117 0.372 0.000 1.093 335 I CA 0.451 61.924 61.300 0.287 0.000 1.380 335 I CB -0.120 38.017 38.000 0.228 0.000 1.067 335 I HN 0.122 nan 8.210 nan 0.000 0.413 336 L N 0.200 121.427 121.223 0.007 0.000 2.042 336 L HA -0.255 4.087 4.340 0.002 0.000 0.210 336 L C 2.117 179.030 176.870 0.072 0.000 1.076 336 L CA 2.144 56.926 54.840 -0.097 0.000 0.749 336 L CB -0.618 41.090 42.059 -0.585 0.000 0.893 336 L HN 0.186 nan 8.230 nan 0.000 0.432 337 Y N -1.423 118.945 120.300 0.115 0.000 2.510 337 Y HA 0.234 4.785 4.550 0.002 0.000 0.273 337 Y C 2.310 178.204 175.900 -0.010 0.000 1.119 337 Y CA 0.575 58.714 58.100 0.065 0.000 1.286 337 Y CB -0.404 38.062 38.460 0.011 0.000 1.061 337 Y HN 0.180 nan 8.280 nan 0.000 0.542 338 G N -1.416 107.431 108.800 0.078 0.000 2.572 338 G HA2 -0.054 3.908 3.960 0.002 0.000 0.216 338 G HA3 -0.054 3.908 3.960 0.002 0.000 0.216 338 G C -0.122 174.437 174.900 -0.569 0.000 1.133 338 G CA 0.490 45.441 45.100 -0.248 0.000 0.791 338 G HN 0.228 nan 8.290 nan 0.000 0.538 339 Y N -1.015 119.164 120.300 -0.202 0.000 2.693 339 Y HA 0.623 5.174 4.550 0.002 0.000 0.331 339 Y C -0.140 175.354 175.900 -0.677 0.000 1.092 339 Y CA -1.308 56.476 58.100 -0.526 0.000 1.131 339 Y CB 1.323 39.231 38.460 -0.919 0.000 1.318 339 Y HN -0.224 nan 8.280 nan 0.000 0.510 340 E N 0.512 120.385 120.200 -0.545 0.000 2.183 340 E HA 0.207 4.558 4.350 0.002 0.000 0.271 340 E C -1.846 174.397 176.600 -0.594 0.000 0.919 340 E CA -0.616 55.511 56.400 -0.456 0.000 0.781 340 E CB 1.469 31.055 29.700 -0.190 0.000 1.140 340 E HN 0.547 nan 8.360 nan 0.000 0.402 341 W N 2.317 123.630 121.300 0.020 0.000 2.376 341 W HA 0.261 4.923 4.660 0.002 0.000 0.312 341 W C 0.466 177.101 176.519 0.193 0.000 1.060 341 W CA -0.698 56.689 57.345 0.070 0.000 1.221 341 W CB 1.001 30.427 29.460 -0.057 0.000 1.281 341 W HN 0.315 nan 8.180 nan 0.000 0.456 342 E N 2.690 123.150 120.200 0.433 0.000 2.183 342 E HA 0.471 4.822 4.350 0.002 0.000 0.271 342 E C -0.908 175.830 176.600 0.230 0.000 0.919 342 E CA -1.272 55.314 56.400 0.309 0.000 0.781 342 E CB 1.973 31.753 29.700 0.134 0.000 1.140 342 E HN 0.273 nan 8.360 nan 0.000 0.402 343 L N 2.791 124.022 121.223 0.013 0.000 2.540 343 L HA 0.155 4.496 4.340 0.002 0.000 0.276 343 L C -0.135 176.701 176.870 -0.056 0.000 1.212 343 L CA 1.273 55.904 54.840 -0.350 0.000 0.893 343 L CB 0.697 42.544 42.059 -0.354 0.000 1.138 343 L HN 0.893 nan 8.230 nan 0.000 0.491 344 T N 4.258 118.805 114.554 -0.011 0.000 2.654 344 T HA 0.566 4.917 4.350 0.002 0.000 0.289 344 T C -1.249 173.511 174.700 0.100 0.000 1.062 344 T CA -0.781 61.364 62.100 0.075 0.000 1.041 344 T CB 1.109 69.995 68.868 0.029 0.000 1.417 344 T HN 0.514 nan 8.240 nan 0.000 0.510 345 K N 1.799 122.190 120.400 -0.015 0.000 2.378 345 K HA 0.492 4.813 4.320 0.002 0.000 0.252 345 K C -0.181 176.356 176.600 -0.105 0.000 0.931 345 K CA -0.567 55.645 56.287 -0.125 0.000 0.794 345 K CB 1.941 34.300 32.500 -0.235 0.000 1.181 345 K HN 0.838 nan 8.250 nan 0.000 0.425 346 S N 1.373 117.002 115.700 -0.118 0.000 2.608 346 S HA 0.231 4.702 4.470 0.002 0.000 0.261 346 S C -1.708 172.819 174.600 -0.121 0.000 1.314 346 S CA -0.787 57.349 58.200 -0.108 0.000 0.992 346 S CB 0.556 63.692 63.200 -0.106 0.000 0.935 346 S HN 0.295 nan 8.310 nan 0.000 0.564 347 P HA 0.020 nan 4.420 nan 0.000 0.224 347 P C 0.596 177.807 177.300 -0.149 0.000 1.142 347 P CA 1.437 64.463 63.100 -0.122 0.000 0.778 347 P CB -0.166 31.459 31.700 -0.125 0.000 0.764 348 A N -1.426 121.302 122.820 -0.152 0.000 2.465 348 A HA 0.550 4.871 4.320 0.002 0.000 0.255 348 A C 1.321 178.810 177.584 -0.159 0.000 1.274 348 A CA 0.317 52.262 52.037 -0.152 0.000 0.920 348 A CB -0.762 18.154 19.000 -0.139 0.000 1.033 348 A HN 0.174 nan 8.150 nan 0.000 0.516 349 G N -0.910 107.776 108.800 -0.190 0.000 2.225 349 G HA2 0.132 4.093 3.960 0.002 0.000 0.264 349 G HA3 0.132 4.093 3.960 0.002 0.000 0.264 349 G C 0.252 174.955 174.900 -0.328 0.000 1.060 349 G CA 0.345 45.284 45.100 -0.268 0.000 0.833 349 G HN 1.636 nan 8.290 nan 0.000 0.498 350 A N -0.448 122.222 122.820 -0.250 0.000 2.292 350 A HA 0.676 4.997 4.320 0.002 0.000 0.319 350 A C 0.251 177.733 177.584 -0.170 0.000 1.206 350 A CA -0.716 51.205 52.037 -0.194 0.000 0.835 350 A CB 0.631 19.582 19.000 -0.081 0.000 1.164 350 A HN 0.617 nan 8.150 nan 0.000 0.505 351 W N 1.490 122.754 121.300 -0.061 0.000 2.223 351 W HA 0.410 5.072 4.660 0.002 0.000 0.334 351 W C 0.899 177.350 176.519 -0.113 0.000 1.334 351 W CA 0.432 57.714 57.345 -0.105 0.000 1.246 351 W CB 0.522 29.929 29.460 -0.089 0.000 1.184 351 W HN 0.838 nan 8.180 nan 0.000 0.563 352 Q N 1.565 121.424 119.800 0.099 0.000 2.756 352 Q HA 0.404 4.746 4.340 0.002 0.000 0.295 352 Q C -2.009 173.890 176.000 -0.169 0.000 0.903 352 Q CA -1.202 54.604 55.803 0.006 0.000 0.768 352 Q CB 1.491 30.235 28.738 0.011 0.000 1.472 352 Q HN 0.478 nan 8.270 nan 0.000 0.416 353 Y N 0.065 120.392 120.300 0.045 0.000 2.420 353 Y HA 0.706 5.258 4.550 0.002 0.000 0.334 353 Y C 0.099 176.109 175.900 0.184 0.000 1.094 353 Y CA -0.222 57.943 58.100 0.108 0.000 1.126 353 Y CB 2.634 41.119 38.460 0.043 0.000 1.217 353 Y HN 0.729 nan 8.280 nan 0.000 0.462 354 T N 1.402 116.224 114.554 0.447 0.000 2.903 354 T HA 0.725 5.076 4.350 0.002 0.000 0.299 354 T C -1.017 173.860 174.700 0.295 0.000 1.093 354 T CA -0.738 61.596 62.100 0.390 0.000 1.002 354 T CB 0.695 69.644 68.868 0.136 0.000 1.127 354 T HN 0.809 nan 8.240 nan 0.000 0.488 355 A N 3.947 126.723 122.820 -0.073 0.000 2.524 355 A HA 0.366 4.687 4.320 0.002 0.000 0.250 355 A C 0.528 177.976 177.584 -0.227 0.000 1.078 355 A CA 0.160 51.876 52.037 -0.534 0.000 0.761 355 A CB -0.254 18.270 19.000 -0.794 0.000 1.012 355 A HN 0.860 nan 8.150 nan 0.000 0.500 356 K N 1.524 121.809 120.400 -0.193 0.000 2.397 356 K HA 0.087 4.408 4.320 0.002 0.000 0.265 356 K C -0.118 176.438 176.600 -0.073 0.000 0.982 356 K CA 0.534 56.769 56.287 -0.086 0.000 0.931 356 K CB 0.159 32.616 32.500 -0.071 0.000 0.943 356 K HN 0.783 nan 8.250 nan 0.000 0.501 357 D N -0.112 120.262 120.400 -0.043 0.000 3.041 357 D HA -0.179 4.462 4.640 0.002 0.000 0.220 357 D C 0.734 177.016 176.300 -0.031 0.000 1.157 357 D CA 1.276 55.257 54.000 -0.032 0.000 0.876 357 D CB -1.567 39.214 40.800 -0.033 0.000 1.107 357 D HN 0.996 nan 8.370 nan 0.000 0.422 358 G N -0.499 108.278 108.800 -0.039 0.000 2.196 358 G HA2 -0.205 3.757 3.960 0.002 0.000 0.268 358 G HA3 -0.205 3.757 3.960 0.002 0.000 0.268 358 G C 0.623 175.498 174.900 -0.041 0.000 0.975 358 G CA 1.063 46.140 45.100 -0.039 0.000 0.648 358 G HN 1.333 nan 8.290 nan 0.000 0.538 359 A N -0.264 122.536 122.820 -0.034 0.000 2.507 359 A HA 0.619 4.940 4.320 0.002 0.000 0.235 359 A C 2.124 179.697 177.584 -0.018 0.000 1.070 359 A CA 1.605 53.662 52.037 0.033 0.000 0.768 359 A CB -0.252 18.826 19.000 0.130 0.000 1.011 359 A HN 2.334 nan 8.150 nan 0.000 0.502 360 G N -0.313 108.559 108.800 0.121 0.000 2.233 360 G HA2 0.121 4.083 3.960 0.002 0.000 0.270 360 G HA3 0.121 4.083 3.960 0.002 0.000 0.270 360 G C 0.615 175.478 174.900 -0.063 0.000 1.011 360 G CA 0.730 45.843 45.100 0.022 0.000 0.762 360 G HN 2.217 nan 8.290 nan 0.000 0.511 361 A N -0.799 121.999 122.820 -0.037 0.000 2.531 361 A HA 0.626 4.948 4.320 0.002 0.000 0.236 361 A C 2.088 179.658 177.584 -0.023 0.000 1.062 361 A CA 1.622 53.637 52.037 -0.038 0.000 0.760 361 A CB -0.053 18.931 19.000 -0.026 0.000 0.995 361 A HN 2.362 nan 8.150 nan 0.000 0.501 362 G N 1.284 110.069 108.800 -0.025 0.000 2.189 362 G HA2 -0.334 3.628 3.960 0.002 0.000 0.267 362 G HA3 -0.334 3.628 3.960 0.002 0.000 0.267 362 G C 0.966 175.860 174.900 -0.010 0.000 0.975 362 G CA 1.681 46.772 45.100 -0.014 0.000 0.644 362 G HN 1.995 nan 8.290 nan 0.000 0.537 363 T N -1.804 112.741 114.554 -0.014 0.000 3.067 363 T HA 0.496 4.848 4.350 0.002 0.000 0.257 363 T C 0.966 175.661 174.700 -0.008 0.000 1.105 363 T CA 0.660 62.758 62.100 -0.003 0.000 1.104 363 T CB 0.395 69.275 68.868 0.019 0.000 0.925 363 T HN 0.349 nan 8.240 nan 0.000 0.498 364 I N 3.839 124.400 120.570 -0.015 0.000 2.354 364 I HA 0.423 4.595 4.170 0.002 0.000 0.292 364 I C -2.518 173.609 176.117 0.017 0.000 0.989 364 I CA -3.248 58.045 61.300 -0.012 0.000 1.188 364 I CB 1.230 39.215 38.000 -0.025 0.000 1.342 364 I HN -0.006 nan 8.210 nan 0.000 0.457 365 P HA 0.141 nan 4.420 nan 0.000 0.274 365 P C -0.754 176.684 177.300 0.230 0.000 1.231 365 P CA -0.243 62.925 63.100 0.113 0.000 0.790 365 P CB 1.146 32.904 31.700 0.097 0.000 0.951 366 D N 1.954 122.443 120.400 0.150 0.000 2.225 366 D HA 0.160 4.802 4.640 0.002 0.000 0.248 366 D C -1.150 175.039 176.300 -0.185 0.000 1.096 366 D CA -2.284 51.734 54.000 0.031 0.000 0.863 366 D CB 0.705 41.510 40.800 0.008 0.000 1.156 366 D HN 0.155 nan 8.370 nan 0.000 0.450 367 P HA -0.097 nan 4.420 nan 0.000 0.223 367 P C 0.050 176.692 177.300 -1.097 0.000 1.144 367 P CA 1.034 63.263 63.100 -1.451 0.000 0.783 367 P CB 0.064 31.137 31.700 -1.044 0.000 0.771 368 F N -2.138 117.630 119.950 -0.304 0.000 2.837 368 F HA 0.425 4.954 4.527 0.003 0.000 0.328 368 F C 1.552 177.285 175.800 -0.111 0.000 1.173 368 F CA 0.285 58.171 58.000 -0.190 0.000 1.160 368 F CB 0.756 39.647 39.000 -0.182 0.000 1.115 368 F HN 0.012 nan 8.300 nan 0.000 0.512 369 G N -0.011 108.797 108.800 0.014 0.000 2.259 369 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 369 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 369 G C 0.978 175.891 174.900 0.022 0.000 1.001 369 G CA -0.323 44.790 45.100 0.022 0.000 0.627 369 G HN 0.724 nan 8.290 nan 0.000 0.501 370 G N 1.477 110.293 108.800 0.026 0.000 2.846 370 G HA2 0.403 4.365 3.960 0.002 0.000 0.257 370 G HA3 0.403 4.365 3.960 0.002 0.000 0.257 370 G C -0.831 174.076 174.900 0.011 0.000 1.253 370 G CA 0.499 45.608 45.100 0.014 0.000 0.918 370 G HN 0.529 nan 8.290 nan 0.000 0.597 371 P HA 0.269 nan 4.420 nan 0.000 0.274 371 P C 0.645 177.948 177.300 0.005 0.000 1.256 371 P CA -0.026 63.076 63.100 0.003 0.000 0.795 371 P CB 0.268 31.966 31.700 -0.002 0.000 1.038 372 G N 0.620 109.421 108.800 0.003 0.000 2.664 372 G HA2 0.350 4.311 3.960 0.002 0.000 0.242 372 G HA3 0.350 4.311 3.960 0.002 0.000 0.242 372 G C -0.002 174.893 174.900 -0.009 0.000 1.225 372 G CA -0.481 44.619 45.100 0.001 0.000 0.849 372 G HN 0.763 nan 8.290 nan 0.000 0.581 373 R N -0.845 119.646 120.500 -0.015 0.000 2.836 373 R HA 0.606 4.947 4.340 0.002 0.000 0.269 373 R C -0.709 175.563 176.300 -0.046 0.000 1.010 373 R CA -0.774 55.308 56.100 -0.030 0.000 0.930 373 R CB 0.924 31.204 30.300 -0.033 0.000 1.218 373 R HN 0.391 nan 8.270 nan 0.000 0.473 374 S N 1.410 117.074 115.700 -0.059 0.000 2.614 374 S HA 0.352 4.823 4.470 0.002 0.000 0.265 374 S C -2.276 172.265 174.600 -0.098 0.000 1.303 374 S CA -0.932 57.212 58.200 -0.094 0.000 1.000 374 S CB 0.750 63.895 63.200 -0.092 0.000 0.935 374 S HN 0.446 nan 8.310 nan 0.000 0.551 375 P HA 0.219 nan 4.420 nan 0.000 0.268 375 P C -0.704 176.689 177.300 0.155 0.000 1.205 375 P CA -0.130 62.933 63.100 -0.061 0.000 0.771 375 P CB 0.391 31.914 31.700 -0.295 0.000 0.858 376 T N -0.170 114.441 114.554 0.095 0.000 2.894 376 T HA 0.792 5.143 4.350 0.002 0.000 0.309 376 T C -0.724 173.821 174.700 -0.259 0.000 1.208 376 T CA -0.833 61.267 62.100 -0.002 0.000 1.016 376 T CB 1.129 69.933 68.868 -0.107 0.000 1.192 376 T HN 0.135 nan 8.240 nan 0.000 0.491 377 M N 2.102 121.508 119.600 -0.324 0.000 2.421 377 M HA 0.433 4.914 4.480 0.002 0.000 0.287 377 M C -1.210 175.071 176.300 -0.032 0.000 1.183 377 M CA -0.770 54.347 55.300 -0.304 0.000 0.916 377 M CB 2.204 34.292 32.600 -0.854 0.000 1.701 377 M HN 0.596 nan 8.290 nan 0.000 0.470 378 L N 1.414 122.734 121.223 0.161 0.000 2.476 378 L HA 0.279 4.620 4.340 0.002 0.000 0.264 378 L C 1.614 178.620 176.870 0.226 0.000 1.224 378 L CA 0.822 55.802 54.840 0.233 0.000 0.821 378 L CB 0.407 42.675 42.059 0.348 0.000 1.101 378 L HN 0.976 nan 8.230 nan 0.000 0.488 379 A N 0.509 123.512 122.820 0.304 0.000 1.972 379 A HA -0.172 4.149 4.320 0.002 0.000 0.219 379 A C 1.951 179.593 177.584 0.097 0.000 1.169 379 A CA 2.065 54.273 52.037 0.286 0.000 0.635 379 A CB -1.014 18.180 19.000 0.324 0.000 0.810 379 A HN 0.908 nan 8.150 nan 0.000 0.446 380 T N -1.654 112.981 114.554 0.135 0.000 2.904 380 T HA -0.109 4.243 4.350 0.002 0.000 0.267 380 T C 1.311 176.030 174.700 0.031 0.000 1.059 380 T CA 1.165 63.320 62.100 0.092 0.000 1.137 380 T CB -0.413 68.540 68.868 0.142 0.000 0.879 380 T HN 0.408 nan 8.240 nan 0.000 0.467 381 D N 1.659 122.110 120.400 0.086 0.000 2.104 381 D HA -0.051 4.591 4.640 0.002 0.000 0.194 381 D C 1.950 178.184 176.300 -0.111 0.000 0.994 381 D CA 0.811 54.853 54.000 0.071 0.000 0.830 381 D CB -0.402 40.508 40.800 0.184 0.000 0.959 381 D HN 0.250 nan 8.370 nan 0.000 0.452 382 L N 1.080 122.166 121.223 -0.228 0.000 2.201 382 L HA -0.092 4.250 4.340 0.002 0.000 0.212 382 L C 2.371 179.133 176.870 -0.181 0.000 1.105 382 L CA 0.961 55.602 54.840 -0.331 0.000 0.775 382 L CB -0.558 41.182 42.059 -0.531 0.000 0.913 382 L HN -0.116 nan 8.230 nan 0.000 0.440 383 S N -0.387 115.263 115.700 -0.084 0.000 2.423 383 S HA -0.213 4.258 4.470 0.002 0.000 0.238 383 S C 1.856 176.520 174.600 0.106 0.000 1.028 383 S CA 1.329 59.547 58.200 0.030 0.000 1.000 383 S CB -0.444 62.807 63.200 0.084 0.000 0.797 383 S HN 0.421 nan 8.310 nan 0.000 0.487 384 L N 0.651 121.871 121.223 -0.005 0.000 2.313 384 L HA 0.028 4.370 4.340 0.002 0.000 0.214 384 L C 2.340 179.233 176.870 0.038 0.000 1.119 384 L CA 0.919 55.764 54.840 0.007 0.000 0.809 384 L CB -0.313 41.710 42.059 -0.060 0.000 0.933 384 L HN 0.384 nan 8.230 nan 0.000 0.449 385 R N -1.894 118.557 120.500 -0.082 0.000 2.446 385 R HA 0.163 4.505 4.340 0.002 0.000 0.254 385 R C 1.246 177.528 176.300 -0.029 0.000 0.918 385 R CA 0.029 56.074 56.100 -0.091 0.000 1.069 385 R CB 0.028 30.035 30.300 -0.489 0.000 1.194 385 R HN -0.010 nan 8.270 nan 0.000 0.534 386 V N 0.805 120.698 119.914 -0.036 0.000 2.825 386 V HA -0.016 4.105 4.120 0.002 0.000 0.246 386 V C 0.341 176.429 176.094 -0.010 0.000 1.068 386 V CA 0.870 63.153 62.300 -0.029 0.000 1.088 386 V CB 0.013 31.802 31.823 -0.056 0.000 0.733 386 V HN 0.296 nan 8.190 nan 0.000 0.468 387 D N 0.739 121.146 120.400 0.011 0.000 2.348 387 D HA 0.132 4.773 4.640 0.002 0.000 0.253 387 D C -1.201 175.071 176.300 -0.046 0.000 1.161 387 D CA -1.623 52.355 54.000 -0.038 0.000 0.876 387 D CB 1.652 42.397 40.800 -0.092 0.000 1.160 387 D HN 0.033 nan 8.370 nan 0.000 0.459 388 P HA -0.199 nan 4.420 nan 0.000 0.215 388 P C 1.483 178.739 177.300 -0.073 0.000 1.157 388 P CA 1.275 64.340 63.100 -0.058 0.000 0.874 388 P CB 0.215 31.876 31.700 -0.065 0.000 0.790 389 I N -2.266 118.219 120.570 -0.141 0.000 2.233 389 I HA -0.241 3.930 4.170 0.002 0.000 0.243 389 I C 2.742 178.820 176.117 -0.065 0.000 1.093 389 I CA 1.389 62.604 61.300 -0.142 0.000 1.380 389 I CB -0.900 36.973 38.000 -0.212 0.000 1.067 389 I HN -0.150 nan 8.210 nan 0.000 0.413 390 Y N 1.174 121.424 120.300 -0.084 0.000 2.128 390 Y HA -0.270 4.281 4.550 0.003 0.000 0.284 390 Y C 2.642 178.481 175.900 -0.101 0.000 1.154 390 Y CA 1.067 59.103 58.100 -0.107 0.000 1.149 390 Y CB -1.021 37.386 38.460 -0.088 0.000 0.976 390 Y HN 0.242 nan 8.280 nan 0.000 0.505 391 E N 0.358 120.626 120.200 0.114 0.000 2.049 391 E HA -0.268 4.083 4.350 0.002 0.000 0.198 391 E C 2.418 179.023 176.600 0.008 0.000 1.007 391 E CA 1.325 57.788 56.400 0.106 0.000 0.809 391 E CB -0.112 29.644 29.700 0.093 0.000 0.749 391 E HN 0.386 nan 8.360 nan 0.000 0.450 392 R N 0.078 120.550 120.500 -0.046 0.000 2.122 392 R HA -0.205 4.137 4.340 0.002 0.000 0.236 392 R C 2.595 178.772 176.300 -0.205 0.000 1.129 392 R CA 2.130 58.168 56.100 -0.105 0.000 0.925 392 R CB -0.479 29.764 30.300 -0.094 0.000 0.850 392 R HN 0.262 nan 8.270 nan 0.000 0.431 393 I N -0.078 120.334 120.570 -0.264 0.000 2.163 393 I HA -0.321 3.851 4.170 0.002 0.000 0.243 393 I C 2.519 178.087 176.117 -0.916 0.000 1.085 393 I CA 2.010 62.967 61.300 -0.571 0.000 1.347 393 I CB -0.487 37.211 38.000 -0.503 0.000 1.044 393 I HN 0.463 nan 8.210 nan 0.000 0.408 394 T N -1.998 112.266 114.554 -0.483 0.000 2.978 394 T HA -0.090 4.261 4.350 0.002 0.000 0.262 394 T C 2.004 176.626 174.700 -0.129 0.000 1.063 394 T CA 0.466 62.437 62.100 -0.216 0.000 1.140 394 T CB -0.249 68.725 68.868 0.176 0.000 0.886 394 T HN 0.237 nan 8.240 nan 0.000 0.470 395 R N 0.561 120.924 120.500 -0.228 0.000 2.115 395 R HA 0.119 4.460 4.340 0.002 0.000 0.226 395 R C 2.721 178.893 176.300 -0.214 0.000 1.100 395 R CA 0.818 56.681 56.100 -0.396 0.000 0.980 395 R CB -0.139 29.953 30.300 -0.348 0.000 0.875 395 R HN 0.292 nan 8.270 nan 0.000 0.445 396 R N 0.209 120.597 120.500 -0.186 0.000 2.094 396 R HA -0.178 4.163 4.340 0.002 0.000 0.239 396 R C 1.442 177.832 176.300 0.150 0.000 1.137 396 R CA 1.995 58.048 56.100 -0.078 0.000 0.943 396 R CB -0.605 29.561 30.300 -0.224 0.000 0.850 396 R HN 0.269 nan 8.270 nan 0.000 0.433 397 W N 0.337 121.666 121.300 0.048 0.000 2.721 397 W HA 0.008 4.670 4.660 0.003 0.000 0.245 397 W C 1.611 178.145 176.519 0.024 0.000 1.276 397 W CA -0.093 57.294 57.345 0.069 0.000 1.342 397 W CB -0.901 28.592 29.460 0.056 0.000 1.135 397 W HN 0.234 nan 8.180 nan 0.000 0.654 398 L N 1.025 122.336 121.223 0.147 0.000 2.046 398 L HA -0.145 4.197 4.340 0.002 0.000 0.208 398 L C 1.806 178.683 176.870 0.012 0.000 1.077 398 L CA 2.116 56.969 54.840 0.021 0.000 0.747 398 L CB -0.613 41.341 42.059 -0.175 0.000 0.896 398 L HN -0.050 nan 8.230 nan 0.000 0.432 399 E N -2.417 117.802 120.200 0.032 0.000 2.460 399 E HA 0.104 4.455 4.350 0.002 0.000 0.200 399 E C -0.070 176.370 176.600 -0.266 0.000 1.011 399 E CA 0.061 56.403 56.400 -0.097 0.000 0.912 399 E CB 0.259 29.901 29.700 -0.097 0.000 0.953 399 E HN 0.530 nan 8.360 nan 0.000 0.494 400 H N 0.909 120.039 119.070 0.099 0.000 2.348 400 H HA 0.142 4.700 4.556 0.002 0.000 0.232 400 H C -1.924 173.499 175.328 0.159 0.000 1.419 400 H CA -1.647 54.481 56.048 0.133 0.000 1.416 400 H CB 0.995 30.855 29.762 0.163 0.000 1.510 400 H HN 0.083 nan 8.280 nan 0.000 0.507 401 P HA -0.195 nan 4.420 nan 0.000 0.218 401 P C 1.659 179.031 177.300 0.120 0.000 1.149 401 P CA 1.083 64.237 63.100 0.091 0.000 0.817 401 P CB 0.445 32.162 31.700 0.029 0.000 0.785 402 E N 1.601 121.890 120.200 0.147 0.000 2.160 402 E HA -0.231 4.120 4.350 0.002 0.000 0.195 402 E C 1.542 178.222 176.600 0.132 0.000 0.991 402 E CA 1.480 57.974 56.400 0.156 0.000 0.810 402 E CB -0.908 28.876 29.700 0.139 0.000 0.742 402 E HN 0.335 nan 8.360 nan 0.000 0.466 403 E N 0.293 120.574 120.200 0.135 0.000 2.152 403 E HA -0.063 4.288 4.350 0.002 0.000 0.192 403 E C 2.122 178.574 176.600 -0.247 0.000 0.983 403 E CA 0.705 57.162 56.400 0.096 0.000 0.818 403 E CB -0.113 29.770 29.700 0.305 0.000 0.758 403 E HN 0.188 nan 8.360 nan 0.000 0.467 404 L N 1.087 121.984 121.223 -0.543 0.000 1.994 404 L HA -0.129 4.212 4.340 0.002 0.000 0.208 404 L C 2.247 179.008 176.870 -0.181 0.000 1.071 404 L CA 2.103 56.404 54.840 -0.899 0.000 0.745 404 L CB -0.747 40.911 42.059 -0.669 0.000 0.892 404 L HN 0.050 nan 8.230 nan 0.000 0.431 405 A N -0.288 122.661 122.820 0.215 0.000 1.896 405 A HA -0.402 3.919 4.320 0.002 0.000 0.220 405 A C 2.094 179.869 177.584 0.319 0.000 1.206 405 A CA 2.513 54.827 52.037 0.461 0.000 0.647 405 A CB -1.473 17.808 19.000 0.468 0.000 0.828 405 A HN 0.710 nan 8.150 nan 0.000 0.455 406 D N -1.243 119.249 120.400 0.154 0.000 2.117 406 D HA -0.163 4.478 4.640 0.002 0.000 0.197 406 D C 1.860 178.220 176.300 0.100 0.000 0.987 406 D CA 1.659 55.726 54.000 0.112 0.000 0.829 406 D CB -0.071 40.786 40.800 0.094 0.000 0.961 406 D HN 0.454 nan 8.370 nan 0.000 0.460 407 E N -0.721 119.509 120.200 0.049 0.000 2.112 407 E HA -0.086 4.266 4.350 0.002 0.000 0.190 407 E C 1.864 178.540 176.600 0.126 0.000 0.979 407 E CA 0.225 56.663 56.400 0.063 0.000 0.814 407 E CB -0.487 29.223 29.700 0.017 0.000 0.762 407 E HN 0.376 nan 8.360 nan 0.000 0.460 408 F N 2.178 122.091 119.950 -0.062 0.000 2.075 408 F HA -0.148 4.381 4.527 0.002 0.000 0.297 408 F C 2.265 178.195 175.800 0.216 0.000 1.113 408 F CA 1.349 59.343 58.000 -0.010 0.000 1.218 408 F CB -0.802 38.067 39.000 -0.218 0.000 0.984 408 F HN -0.030 nan 8.300 nan 0.000 0.472 409 A N 0.606 123.573 122.820 0.244 0.000 1.903 409 A HA -0.282 4.040 4.320 0.002 0.000 0.219 409 A C 2.336 179.982 177.584 0.102 0.000 1.191 409 A CA 2.315 54.444 52.037 0.154 0.000 0.638 409 A CB -0.830 18.213 19.000 0.072 0.000 0.823 409 A HN 0.500 nan 8.150 nan 0.000 0.451 410 K N -0.680 119.732 120.400 0.019 0.000 2.002 410 K HA -0.064 4.257 4.320 0.002 0.000 0.209 410 K C 2.406 179.032 176.600 0.043 0.000 1.048 410 K CA 1.204 57.442 56.287 -0.081 0.000 0.930 410 K CB -0.387 32.072 32.500 -0.067 0.000 0.714 410 K HN 0.447 nan 8.250 nan 0.000 0.438 411 A N 1.643 124.511 122.820 0.080 0.000 1.902 411 A HA -0.189 4.132 4.320 0.002 0.000 0.217 411 A C 1.942 179.581 177.584 0.092 0.000 1.181 411 A CA 1.134 53.219 52.037 0.079 0.000 0.623 411 A CB -0.914 18.183 19.000 0.161 0.000 0.818 411 A HN 0.631 nan 8.150 nan 0.000 0.443 412 W N -0.580 120.655 121.300 -0.107 0.000 2.354 412 W HA -0.255 4.407 4.660 0.002 0.000 0.315 412 W C 2.021 178.563 176.519 0.037 0.000 1.206 412 W CA 1.990 59.260 57.345 -0.125 0.000 1.290 412 W CB -0.716 28.469 29.460 -0.457 0.000 1.152 412 W HN 0.477 nan 8.180 nan 0.000 0.489 413 Y N 2.051 122.432 120.300 0.135 0.000 2.069 413 Y HA -0.379 4.172 4.550 0.002 0.000 0.278 413 Y C 2.899 178.872 175.900 0.123 0.000 1.175 413 Y CA 3.539 61.780 58.100 0.235 0.000 1.134 413 Y CB -0.893 37.738 38.460 0.285 0.000 0.965 413 Y HN -0.017 nan 8.280 nan 0.000 0.498 414 K N -0.112 120.242 120.400 -0.077 0.000 2.032 414 K HA -0.249 4.072 4.320 0.002 0.000 0.209 414 K C 2.171 178.371 176.600 -0.667 0.000 1.048 414 K CA 1.756 57.603 56.287 -0.733 0.000 0.927 414 K CB -0.638 31.308 32.500 -0.923 0.000 0.712 414 K HN 0.407 nan 8.250 nan 0.000 0.441 415 L N 1.395 122.365 121.223 -0.423 0.000 2.021 415 L HA -0.193 4.149 4.340 0.002 0.000 0.215 415 L C 1.913 178.482 176.870 -0.502 0.000 1.074 415 L CA 1.735 56.352 54.840 -0.372 0.000 0.760 415 L CB -0.347 41.581 42.059 -0.218 0.000 0.889 415 L HN 0.275 nan 8.230 nan 0.000 0.433 416 I N -0.956 119.227 120.570 -0.645 0.000 3.444 416 I HA -0.114 4.058 4.170 0.002 0.000 0.287 416 I C 1.224 176.773 176.117 -0.947 0.000 1.302 416 I CA 1.014 61.844 61.300 -0.783 0.000 1.368 416 I CB -1.540 35.938 38.000 -0.870 0.000 1.048 416 I HN 0.492 nan 8.210 nan 0.000 0.487 417 H N -0.748 118.012 119.070 -0.518 0.000 3.622 417 H HA 0.143 4.700 4.556 0.002 0.000 0.259 417 H C 1.893 177.072 175.328 -0.249 0.000 1.145 417 H CA -0.125 55.678 56.048 -0.408 0.000 1.178 417 H CB 0.291 29.861 29.762 -0.320 0.000 1.542 417 H HN 0.112 nan 8.280 nan 0.000 0.586 418 R N 1.214 121.459 120.500 -0.424 0.000 2.153 418 R HA -0.183 4.158 4.340 0.002 0.000 0.252 418 R C 0.703 176.792 176.300 -0.352 0.000 1.158 418 R CA 2.003 57.808 56.100 -0.491 0.000 0.975 418 R CB -0.531 29.228 30.300 -0.901 0.000 0.871 418 R HN 0.383 nan 8.270 nan 0.000 0.450 419 D N -0.086 120.094 120.400 -0.366 0.000 2.340 419 D HA 0.007 4.648 4.640 0.002 0.000 0.217 419 D C 1.396 177.618 176.300 -0.131 0.000 1.081 419 D CA 0.136 54.023 54.000 -0.188 0.000 0.842 419 D CB 0.096 40.828 40.800 -0.113 0.000 0.934 419 D HN 0.151 nan 8.370 nan 0.000 0.511 420 M N 0.587 120.108 119.600 -0.133 0.000 2.394 420 M HA 0.149 4.631 4.480 0.002 0.000 0.264 420 M C 1.466 177.704 176.300 -0.104 0.000 1.073 420 M CA 1.067 56.254 55.300 -0.188 0.000 1.111 420 M CB -0.985 31.363 32.600 -0.420 0.000 1.401 420 M HN 0.338 nan 8.290 nan 0.000 0.448 421 G N 0.582 109.380 108.800 -0.003 0.000 2.525 421 G HA2 -0.200 3.761 3.960 0.002 0.000 0.248 421 G HA3 -0.200 3.761 3.960 0.002 0.000 0.248 421 G C -2.629 172.304 174.900 0.054 0.000 1.238 421 G CA -0.956 44.135 45.100 -0.016 0.000 0.926 421 G HN 0.228 nan 8.290 nan 0.000 0.574 422 P HA 0.310 nan 4.420 nan 0.000 0.265 422 P C 1.146 178.470 177.300 0.041 0.000 1.193 422 P CA 0.077 63.209 63.100 0.052 0.000 0.765 422 P CB 1.196 33.001 31.700 0.175 0.000 0.823 423 V N 3.652 123.502 119.914 -0.107 0.000 2.660 423 V HA -0.318 3.804 4.120 0.002 0.000 0.257 423 V C 2.051 178.097 176.094 -0.080 0.000 1.088 423 V CA 2.602 64.696 62.300 -0.343 0.000 1.106 423 V CB -1.214 30.329 31.823 -0.467 0.000 0.686 423 V HN 0.708 nan 8.190 nan 0.000 0.481 424 A N -0.387 122.443 122.820 0.016 0.000 2.024 424 A HA -0.214 4.107 4.320 0.002 0.000 0.220 424 A C 2.247 179.895 177.584 0.106 0.000 1.164 424 A CA 1.592 53.669 52.037 0.067 0.000 0.643 424 A CB -0.490 18.575 19.000 0.108 0.000 0.806 424 A HN 0.588 nan 8.150 nan 0.000 0.451 425 R N -1.721 118.846 120.500 0.111 0.000 2.280 425 R HA 0.005 4.346 4.340 0.002 0.000 0.207 425 R C -0.435 175.939 176.300 0.123 0.000 1.043 425 R CA 0.188 56.318 56.100 0.050 0.000 1.006 425 R CB -0.197 30.006 30.300 -0.160 0.000 0.885 425 R HN 0.651 nan 8.270 nan 0.000 0.467 426 Y N 1.197 121.462 120.300 -0.058 0.000 2.359 426 Y HA 0.214 4.766 4.550 0.002 0.000 0.334 426 Y C 0.568 176.464 175.900 -0.007 0.000 1.058 426 Y CA -0.570 57.502 58.100 -0.048 0.000 1.244 426 Y CB 0.651 39.069 38.460 -0.070 0.000 1.187 426 Y HN -0.161 nan 8.280 nan 0.000 0.510 427 L N 2.239 123.554 121.223 0.153 0.000 2.286 427 L HA 0.875 5.216 4.340 0.002 0.000 0.265 427 L C 0.338 177.339 176.870 0.219 0.000 1.012 427 L CA -1.003 53.916 54.840 0.131 0.000 0.818 427 L CB 1.980 44.077 42.059 0.062 0.000 1.337 427 L HN 0.863 nan 8.230 nan 0.000 0.438 428 G N 0.674 109.553 108.800 0.131 0.000 2.730 428 G HA2 -0.122 3.840 3.960 0.002 0.000 0.686 428 G HA3 -0.122 3.840 3.960 0.002 0.000 0.686 428 G C -2.232 172.750 174.900 0.136 0.000 1.343 428 G CA -0.460 44.730 45.100 0.151 0.000 0.826 428 G HN 0.526 nan 8.290 nan 0.000 0.582 429 P HA 0.071 nan 4.420 nan 0.000 0.239 429 P C 1.281 178.649 177.300 0.113 0.000 1.184 429 P CA 0.810 63.961 63.100 0.085 0.000 0.760 429 P CB -0.003 31.733 31.700 0.060 0.000 0.884 430 L N -1.332 120.006 121.223 0.191 0.000 2.808 430 L HA 0.190 4.531 4.340 0.002 0.000 0.246 430 L C 0.378 177.348 176.870 0.166 0.000 1.153 430 L CA -0.300 54.661 54.840 0.200 0.000 0.956 430 L CB 0.584 42.849 42.059 0.343 0.000 1.270 430 L HN -0.302 nan 8.230 nan 0.000 0.528 431 V N 2.120 122.116 119.914 0.136 0.000 2.470 431 V HA 0.193 4.314 4.120 0.002 0.000 0.276 431 V C -1.804 174.267 176.094 -0.038 0.000 1.040 431 V CA -1.152 61.209 62.300 0.101 0.000 1.008 431 V CB 0.374 32.269 31.823 0.119 0.000 0.990 431 V HN 0.089 nan 8.190 nan 0.000 0.477 432 P HA 0.371 nan 4.420 nan 0.000 0.277 432 P C 0.136 177.321 177.300 -0.192 0.000 1.240 432 P CA -0.731 62.186 63.100 -0.306 0.000 0.798 432 P CB 1.019 32.259 31.700 -0.767 0.000 0.979 433 K N -0.459 119.839 120.400 -0.171 0.000 2.097 433 K HA -0.086 4.235 4.320 0.002 0.000 0.205 433 K C 1.014 177.560 176.600 -0.090 0.000 1.050 433 K CA 0.927 57.147 56.287 -0.111 0.000 0.938 433 K CB -0.361 32.084 32.500 -0.092 0.000 0.718 433 K HN 0.486 nan 8.250 nan 0.000 0.442 434 Q N 1.820 121.579 119.800 -0.068 0.000 2.247 434 Q HA -0.050 4.292 4.340 0.002 0.000 0.288 434 Q C -0.358 175.623 176.000 -0.031 0.000 1.079 434 Q CA 0.143 55.943 55.803 -0.004 0.000 0.932 434 Q CB 0.476 29.279 28.738 0.108 0.000 1.133 434 Q HN 0.250 nan 8.270 nan 0.000 0.377 435 T N 3.385 117.899 114.554 -0.066 0.000 2.940 435 T HA 0.315 4.667 4.350 0.002 0.000 0.309 435 T C -0.279 174.347 174.700 -0.124 0.000 1.056 435 T CA -0.233 61.797 62.100 -0.117 0.000 1.137 435 T CB 0.251 69.062 68.868 -0.094 0.000 0.976 435 T HN 0.502 nan 8.240 nan 0.000 0.547 436 L N 4.489 125.564 121.223 -0.247 0.000 2.401 436 L HA 0.454 4.795 4.340 0.002 0.000 0.266 436 L C 0.893 177.573 176.870 -0.316 0.000 0.991 436 L CA -1.078 53.586 54.840 -0.294 0.000 0.818 436 L CB 1.824 43.580 42.059 -0.504 0.000 1.321 436 L HN 0.571 nan 8.230 nan 0.000 0.413 437 L N 2.671 123.827 121.223 -0.112 0.000 2.141 437 L HA -0.099 4.243 4.340 0.002 0.000 0.209 437 L C 1.966 178.865 176.870 0.049 0.000 1.094 437 L CA 1.649 56.489 54.840 0.000 0.000 0.763 437 L CB -0.433 41.681 42.059 0.092 0.000 0.908 437 L HN 0.778 nan 8.230 nan 0.000 0.437 438 W N -1.127 120.203 121.300 0.051 0.000 2.699 438 W HA -0.074 4.587 4.660 0.002 0.000 0.249 438 W C 1.184 177.715 176.519 0.019 0.000 1.280 438 W CA 0.119 57.486 57.345 0.037 0.000 1.345 438 W CB -0.992 28.487 29.460 0.031 0.000 1.128 438 W HN 0.312 nan 8.180 nan 0.000 0.642 439 Q N 1.089 120.582 119.800 -0.512 0.000 2.415 439 Q HA -0.049 4.293 4.340 0.002 0.000 0.206 439 Q C -0.306 175.610 176.000 -0.140 0.000 0.946 439 Q CA 0.387 55.912 55.803 -0.462 0.000 0.951 439 Q CB -0.378 27.917 28.738 -0.738 0.000 1.026 439 Q HN 0.072 nan 8.270 nan 0.000 0.510 440 D N 1.508 121.898 120.400 -0.016 0.000 2.740 440 D HA -0.143 4.498 4.640 0.002 0.000 0.231 440 D C -2.330 174.019 176.300 0.083 0.000 1.194 440 D CA 0.563 54.641 54.000 0.130 0.000 0.673 440 D CB -0.791 40.121 40.800 0.185 0.000 0.995 440 D HN 0.325 nan 8.370 nan 0.000 0.411 441 P HA 0.228 nan 4.420 nan 0.000 0.272 441 P C 0.033 177.340 177.300 0.011 0.000 1.240 441 P CA -0.415 62.667 63.100 -0.029 0.000 0.791 441 P CB 1.144 32.798 31.700 -0.077 0.000 0.978 442 V N -2.714 117.201 119.914 0.001 0.000 2.876 442 V HA 0.610 4.731 4.120 0.002 0.000 0.312 442 V C -2.781 173.312 176.094 -0.001 0.000 1.085 442 V CA -2.866 59.441 62.300 0.012 0.000 0.945 442 V CB 0.882 32.722 31.823 0.029 0.000 1.017 442 V HN 0.307 nan 8.190 nan 0.000 0.428 443 P HA 0.363 nan 4.420 nan 0.000 0.268 443 P C 0.118 177.419 177.300 0.001 0.000 1.208 443 P CA 0.402 63.501 63.100 -0.001 0.000 0.777 443 P CB 0.363 32.068 31.700 0.008 0.000 0.875 444 A N 2.305 125.121 122.820 -0.005 0.000 2.366 444 A HA 0.183 4.504 4.320 0.002 0.000 0.250 444 A C -0.040 177.550 177.584 0.010 0.000 1.099 444 A CA -0.407 51.629 52.037 -0.003 0.000 0.794 444 A CB -0.108 18.886 19.000 -0.011 0.000 1.056 444 A HN 0.396 nan 8.150 nan 0.000 0.499 445 V N 2.208 122.131 119.914 0.014 0.000 2.446 445 V HA 0.078 4.200 4.120 0.002 0.000 0.276 445 V C 1.445 177.559 176.094 0.033 0.000 1.030 445 V CA 0.799 63.117 62.300 0.030 0.000 1.033 445 V CB 0.023 31.865 31.823 0.031 0.000 0.993 445 V HN 1.101 nan 8.190 nan 0.000 0.477 446 S N 3.452 119.179 115.700 0.046 0.000 2.325 446 S HA 0.005 4.476 4.470 0.002 0.000 0.214 446 S C 0.782 175.411 174.600 0.049 0.000 1.031 446 S CA 0.461 58.678 58.200 0.029 0.000 0.972 446 S CB -0.084 63.136 63.200 0.032 0.000 0.908 446 S HN 0.822 nan 8.310 nan 0.000 0.453 447 H N 0.249 119.337 119.070 0.030 0.000 2.960 447 H HA 0.424 4.981 4.556 0.002 0.000 0.302 447 H C -0.843 174.509 175.328 0.040 0.000 1.515 447 H CA -1.220 54.848 56.048 0.032 0.000 1.431 447 H CB 0.901 30.685 29.762 0.036 0.000 1.890 447 H HN 0.124 nan 8.280 nan 0.000 0.762 448 D N 0.675 121.214 120.400 0.232 0.000 2.419 448 D HA 0.024 4.665 4.640 0.002 0.000 0.236 448 D C -0.512 175.835 176.300 0.077 0.000 1.165 448 D CA 0.092 54.150 54.000 0.095 0.000 0.882 448 D CB 0.555 41.353 40.800 -0.003 0.000 1.201 448 D HN 0.091 nan 8.370 nan 0.000 0.443 449 L N 1.572 122.836 121.223 0.069 0.000 2.350 449 L HA 0.168 4.510 4.340 0.002 0.000 0.275 449 L C -0.057 176.861 176.870 0.079 0.000 1.099 449 L CA -0.559 54.323 54.840 0.070 0.000 0.808 449 L CB 1.493 43.581 42.059 0.048 0.000 1.149 449 L HN 0.132 nan 8.230 nan 0.000 0.442 450 V N 4.177 124.147 119.914 0.094 0.000 2.509 450 V HA 0.212 4.333 4.120 0.002 0.000 0.297 450 V C 1.047 177.192 176.094 0.086 0.000 1.014 450 V CA 0.575 62.934 62.300 0.099 0.000 1.127 450 V CB 0.252 32.088 31.823 0.022 0.000 0.925 450 V HN 0.950 nan 8.190 nan 0.000 0.480 451 G N 3.427 112.277 108.800 0.085 0.000 2.532 451 G HA2 0.291 4.252 3.960 0.002 0.000 0.291 451 G HA3 0.291 4.252 3.960 0.002 0.000 0.291 451 G C 0.635 175.572 174.900 0.062 0.000 1.349 451 G CA -0.332 44.807 45.100 0.066 0.000 1.038 451 G HN 0.691 nan 8.290 nan 0.000 0.518 452 E N -0.827 119.404 120.200 0.051 0.000 2.153 452 E HA -0.151 4.200 4.350 0.002 0.000 0.194 452 E C 2.688 179.311 176.600 0.038 0.000 0.988 452 E CA 1.067 57.493 56.400 0.044 0.000 0.811 452 E CB -0.050 29.671 29.700 0.035 0.000 0.746 452 E HN 0.428 nan 8.360 nan 0.000 0.466 453 A N 0.978 123.824 122.820 0.044 0.000 1.897 453 A HA -0.173 4.149 4.320 0.002 0.000 0.215 453 A C 1.878 179.499 177.584 0.062 0.000 1.181 453 A CA 1.298 53.363 52.037 0.046 0.000 0.620 453 A CB -0.227 18.802 19.000 0.047 0.000 0.821 453 A HN 0.061 nan 8.150 nan 0.000 0.443 454 E N 0.010 120.264 120.200 0.091 0.000 2.152 454 E HA -0.017 4.335 4.350 0.002 0.000 0.192 454 E C 1.736 178.331 176.600 -0.009 0.000 0.983 454 E CA 0.699 57.181 56.400 0.138 0.000 0.818 454 E CB -0.306 29.550 29.700 0.260 0.000 0.758 454 E HN 0.667 nan 8.360 nan 0.000 0.467 455 I N 0.619 121.174 120.570 -0.025 0.000 2.127 455 I HA -0.311 3.860 4.170 0.002 0.000 0.241 455 I C 2.204 178.263 176.117 -0.098 0.000 1.075 455 I CA 1.355 62.602 61.300 -0.088 0.000 1.334 455 I CB -0.213 37.782 38.000 -0.009 0.000 1.040 455 I HN 0.127 nan 8.210 nan 0.000 0.405 456 A N -0.915 121.882 122.820 -0.038 0.000 2.014 456 A HA -0.168 4.154 4.320 0.002 0.000 0.218 456 A C 2.412 179.981 177.584 -0.024 0.000 1.163 456 A CA 1.751 53.769 52.037 -0.031 0.000 0.652 456 A CB -0.562 18.434 19.000 -0.006 0.000 0.808 456 A HN 0.405 nan 8.150 nan 0.000 0.449 457 S N -0.357 115.342 115.700 -0.002 0.000 2.355 457 S HA -0.073 4.398 4.470 0.002 0.000 0.222 457 S C 1.921 176.521 174.600 -0.000 0.000 1.031 457 S CA 1.366 59.582 58.200 0.026 0.000 0.993 457 S CB -0.420 62.834 63.200 0.090 0.000 0.859 457 S HN 0.485 nan 8.310 nan 0.000 0.453 458 L N 0.853 122.039 121.223 -0.061 0.000 2.093 458 L HA -0.062 4.279 4.340 0.002 0.000 0.208 458 L C 2.601 179.395 176.870 -0.128 0.000 1.085 458 L CA 1.309 56.068 54.840 -0.135 0.000 0.755 458 L CB -0.387 41.481 42.059 -0.319 0.000 0.904 458 L HN 0.271 nan 8.230 nan 0.000 0.435 459 K N 0.061 120.380 120.400 -0.135 0.000 1.977 459 K HA -0.256 4.066 4.320 0.002 0.000 0.218 459 K C 2.378 178.937 176.600 -0.069 0.000 1.051 459 K CA 2.057 58.273 56.287 -0.117 0.000 0.953 459 K CB -0.510 31.928 32.500 -0.103 0.000 0.727 459 K HN 0.241 nan 8.250 nan 0.000 0.445 460 S N 0.209 115.882 115.700 -0.044 0.000 2.392 460 S HA -0.326 4.145 4.470 0.002 0.000 0.232 460 S C 2.129 176.718 174.600 -0.018 0.000 1.041 460 S CA 2.052 60.238 58.200 -0.024 0.000 1.026 460 S CB -0.391 62.803 63.200 -0.010 0.000 0.845 460 S HN 0.501 nan 8.310 nan 0.000 0.465 461 Q N -0.202 119.587 119.800 -0.018 0.000 2.230 461 Q HA 0.092 4.433 4.340 0.002 0.000 0.202 461 Q C 2.056 178.047 176.000 -0.015 0.000 0.963 461 Q CA 1.337 57.137 55.803 -0.006 0.000 0.866 461 Q CB -0.111 28.633 28.738 0.010 0.000 0.931 461 Q HN 0.761 nan 8.270 nan 0.000 0.452 462 I N -0.408 120.140 120.570 -0.037 0.000 2.480 462 I HA -0.183 3.989 4.170 0.002 0.000 0.251 462 I C 2.256 178.358 176.117 -0.026 0.000 1.124 462 I CA 0.587 61.865 61.300 -0.037 0.000 1.444 462 I CB -0.096 37.864 38.000 -0.067 0.000 1.098 462 I HN 0.084 nan 8.210 nan 0.000 0.428 463 R N 1.015 121.497 120.500 -0.029 0.000 2.081 463 R HA -0.070 4.272 4.340 0.002 0.000 0.235 463 R C 2.156 178.450 176.300 -0.011 0.000 1.131 463 R CA 1.455 57.542 56.100 -0.021 0.000 0.960 463 R CB -0.412 29.874 30.300 -0.024 0.000 0.856 463 R HN 0.297 nan 8.270 nan 0.000 0.436 464 A N 0.488 123.303 122.820 -0.008 0.000 2.239 464 A HA 0.002 4.323 4.320 0.002 0.000 0.209 464 A C 1.783 179.370 177.584 0.004 0.000 1.171 464 A CA 0.649 52.686 52.037 -0.001 0.000 0.768 464 A CB -0.153 18.849 19.000 0.002 0.000 0.790 464 A HN 0.164 nan 8.150 nan 0.000 0.478 465 S N -1.020 114.682 115.700 0.002 0.000 2.406 465 S HA 0.210 4.682 4.470 0.002 0.000 0.228 465 S C 1.735 176.342 174.600 0.010 0.000 1.020 465 S CA 1.031 59.236 58.200 0.008 0.000 0.965 465 S CB -0.210 62.994 63.200 0.008 0.000 0.798 465 S HN 1.602 nan 8.310 nan 0.000 0.488 466 G N 0.776 109.580 108.800 0.007 0.000 2.159 466 G HA2 -0.240 3.722 3.960 0.002 0.000 0.256 466 G HA3 -0.240 3.722 3.960 0.002 0.000 0.256 466 G C 0.015 174.922 174.900 0.012 0.000 0.977 466 G CA -0.025 45.080 45.100 0.009 0.000 0.652 466 G HN 0.442 nan 8.290 nan 0.000 0.531 467 L N 2.003 123.234 121.223 0.012 0.000 2.367 467 L HA 0.471 4.813 4.340 0.002 0.000 0.275 467 L C 1.630 178.506 176.870 0.010 0.000 1.129 467 L CA 0.225 55.074 54.840 0.016 0.000 0.839 467 L CB 0.966 43.036 42.059 0.020 0.000 1.133 467 L HN 0.424 nan 8.230 nan 0.000 0.453 468 T N -0.235 114.328 114.554 0.014 0.000 2.849 468 T HA 0.170 4.521 4.350 0.002 0.000 0.284 468 T C 1.272 175.974 174.700 0.004 0.000 1.004 468 T CA -0.867 61.238 62.100 0.008 0.000 1.021 468 T CB 1.441 70.315 68.868 0.010 0.000 1.013 468 T HN 0.250 nan 8.240 nan 0.000 0.527 469 V N 1.867 121.777 119.914 -0.007 0.000 2.332 469 V HA -0.185 3.937 4.120 0.002 0.000 0.248 469 V C 3.025 179.113 176.094 -0.010 0.000 1.055 469 V CA 2.534 64.822 62.300 -0.021 0.000 1.038 469 V CB -1.106 30.695 31.823 -0.037 0.000 0.651 469 V HN 1.046 nan 8.190 nan 0.000 0.450 470 S N -0.839 114.861 115.700 0.001 0.000 2.353 470 S HA -0.294 4.178 4.470 0.002 0.000 0.222 470 S C 1.934 176.562 174.600 0.047 0.000 1.035 470 S CA 1.804 60.015 58.200 0.018 0.000 1.025 470 S CB -0.365 62.846 63.200 0.018 0.000 0.902 470 S HN 0.667 nan 8.310 nan 0.000 0.440 471 Q N 0.527 120.354 119.800 0.044 0.000 2.045 471 Q HA -0.140 4.202 4.340 0.002 0.000 0.206 471 Q C 2.280 178.326 176.000 0.075 0.000 0.991 471 Q CA 1.421 57.259 55.803 0.059 0.000 0.851 471 Q CB -0.459 28.306 28.738 0.046 0.000 0.911 471 Q HN 0.470 nan 8.270 nan 0.000 0.418 472 L N -0.335 120.922 121.223 0.057 0.000 2.056 472 L HA -0.164 4.177 4.340 0.002 0.000 0.207 472 L C 2.367 179.312 176.870 0.125 0.000 1.078 472 L CA 0.686 55.564 54.840 0.064 0.000 0.749 472 L CB -0.332 41.742 42.059 0.025 0.000 0.901 472 L HN 0.092 nan 8.230 nan 0.000 0.433 473 V N -1.483 118.499 119.914 0.113 0.000 2.453 473 V HA -0.234 3.887 4.120 0.002 0.000 0.247 473 V C 2.608 178.906 176.094 0.340 0.000 1.048 473 V CA 1.887 64.301 62.300 0.190 0.000 1.049 473 V CB 0.168 32.008 31.823 0.029 0.000 0.672 473 V HN 0.380 nan 8.190 nan 0.000 0.457 474 S N -0.878 114.960 115.700 0.230 0.000 2.406 474 S HA -0.155 4.316 4.470 0.002 0.000 0.228 474 S C 2.063 176.833 174.600 0.283 0.000 1.020 474 S CA 1.879 60.233 58.200 0.256 0.000 0.965 474 S CB -0.191 63.112 63.200 0.172 0.000 0.798 474 S HN 0.687 nan 8.310 nan 0.000 0.488 475 T N 1.652 116.337 114.554 0.218 0.000 2.857 475 T HA 0.115 4.466 4.350 0.002 0.000 0.266 475 T C 2.018 176.821 174.700 0.172 0.000 1.048 475 T CA 1.120 63.324 62.100 0.173 0.000 1.139 475 T CB -0.424 68.516 68.868 0.120 0.000 0.874 475 T HN 0.454 nan 8.240 nan 0.000 0.455 476 A N 0.826 123.790 122.820 0.239 0.000 1.968 476 A HA -0.036 4.286 4.320 0.002 0.000 0.217 476 A C 2.126 179.789 177.584 0.131 0.000 1.169 476 A CA 0.793 52.957 52.037 0.213 0.000 0.638 476 A CB -0.812 18.444 19.000 0.427 0.000 0.812 476 A HN 0.718 nan 8.150 nan 0.000 0.446 477 W N 0.769 122.125 121.300 0.093 0.000 2.408 477 W HA -0.110 4.552 4.660 0.003 0.000 0.311 477 W C 2.342 178.861 176.519 -0.000 0.000 1.190 477 W CA 1.662 58.998 57.345 -0.015 0.000 1.321 477 W CB -0.438 29.103 29.460 0.135 0.000 1.143 477 W HN 0.424 nan 8.180 nan 0.000 0.501 478 A N 1.487 124.435 122.820 0.213 0.000 1.896 478 A HA -0.291 4.030 4.320 0.002 0.000 0.220 478 A C 2.166 179.746 177.584 -0.007 0.000 1.206 478 A CA 3.527 55.636 52.037 0.119 0.000 0.647 478 A CB -1.497 17.609 19.000 0.177 0.000 0.828 478 A HN 0.388 nan 8.150 nan 0.000 0.455 479 A N -0.663 122.144 122.820 -0.022 0.000 1.835 479 A HA 0.165 4.487 4.320 0.002 0.000 0.215 479 A C 2.598 180.095 177.584 -0.144 0.000 1.199 479 A CA 2.626 54.632 52.037 -0.051 0.000 0.615 479 A CB -1.295 17.675 19.000 -0.048 0.000 0.838 479 A HN 1.286 nan 8.150 nan 0.000 0.444 480 A N 0.021 122.673 122.820 -0.281 0.000 1.930 480 A HA -0.037 4.284 4.320 0.002 0.000 0.217 480 A C 2.291 179.594 177.584 -0.469 0.000 1.175 480 A CA 2.140 53.946 52.037 -0.386 0.000 0.627 480 A CB -0.928 17.749 19.000 -0.538 0.000 0.815 480 A HN 1.108 nan 8.150 nan 0.000 0.443 481 S N 0.449 115.700 115.700 -0.749 0.000 2.720 481 S HA 0.008 4.480 4.470 0.002 0.000 0.222 481 S C 1.448 175.859 174.600 -0.314 0.000 0.958 481 S CA 0.837 58.566 58.200 -0.786 0.000 0.943 481 S CB -0.671 61.597 63.200 -1.553 0.000 0.779 481 S HN 0.766 nan 8.310 nan 0.000 0.526 482 S N 0.393 116.006 115.700 -0.146 0.000 2.522 482 S HA 0.147 4.618 4.470 0.002 0.000 0.227 482 S C 0.260 174.887 174.600 0.044 0.000 0.986 482 S CA -0.588 57.622 58.200 0.018 0.000 0.929 482 S CB -0.784 62.496 63.200 0.133 0.000 0.769 482 S HN 0.578 nan 8.310 nan 0.000 0.529 483 F N 4.437 124.314 119.950 -0.122 0.000 2.471 483 F HA 0.383 4.911 4.527 0.002 0.000 0.353 483 F C 0.532 176.290 175.800 -0.069 0.000 1.113 483 F CA -0.752 57.200 58.000 -0.080 0.000 1.262 483 F CB 0.700 39.629 39.000 -0.119 0.000 1.146 483 F HN 0.167 nan 8.300 nan 0.000 0.578 484 R N 3.981 124.006 120.500 -0.792 0.000 2.532 484 R HA 0.475 4.817 4.340 0.002 0.000 0.297 484 R C 0.009 175.792 176.300 -0.861 0.000 0.984 484 R CA -0.603 55.172 56.100 -0.543 0.000 0.884 484 R CB 1.225 31.354 30.300 -0.285 0.000 1.182 484 R HN 0.785 nan 8.270 nan 0.000 0.442 485 G N 1.227 109.873 108.800 -0.256 0.000 3.026 485 G HA2 -0.116 3.846 3.960 0.002 0.000 0.208 485 G HA3 -0.116 3.846 3.960 0.002 0.000 0.208 485 G C 0.863 175.761 174.900 -0.002 0.000 1.169 485 G CA 0.368 45.502 45.100 0.058 0.000 0.788 485 G HN 0.730 nan 8.290 nan 0.000 0.533 486 S N 1.607 117.252 115.700 -0.092 0.000 2.329 486 S HA -0.108 4.364 4.470 0.002 0.000 0.215 486 S C 1.651 176.235 174.600 -0.026 0.000 1.031 486 S CA 1.393 59.564 58.200 -0.049 0.000 0.985 486 S CB -0.206 62.949 63.200 -0.075 0.000 0.917 486 S HN 0.402 nan 8.310 nan 0.000 0.441 487 D N 0.076 120.447 120.400 -0.049 0.000 2.398 487 D HA 0.200 4.841 4.640 0.002 0.000 0.210 487 D C 0.059 176.307 176.300 -0.087 0.000 1.094 487 D CA -0.190 53.813 54.000 0.006 0.000 0.839 487 D CB -0.461 40.456 40.800 0.195 0.000 0.963 487 D HN 0.446 nan 8.370 nan 0.000 0.506 488 K N -0.228 120.036 120.400 -0.227 0.000 3.129 488 K HA -0.199 4.123 4.320 0.002 0.000 0.273 488 K C -0.286 176.199 176.600 -0.191 0.000 1.123 488 K CA 0.499 56.635 56.287 -0.251 0.000 0.800 488 K CB -1.242 31.280 32.500 0.037 0.000 1.238 488 K HN 0.301 nan 8.250 nan 0.000 0.492 489 R N 0.220 120.541 120.500 -0.298 0.000 2.573 489 R HA 0.618 4.960 4.340 0.002 0.000 0.272 489 R C 0.756 176.953 176.300 -0.171 0.000 1.009 489 R CA -0.012 55.993 56.100 -0.158 0.000 1.059 489 R CB 1.454 31.662 30.300 -0.153 0.000 1.112 489 R HN 0.314 nan 8.270 nan 0.000 0.517 490 G N -0.363 108.455 108.800 0.029 0.000 2.756 490 G HA2 0.235 4.197 3.960 0.002 0.000 0.678 490 G HA3 0.235 4.197 3.960 0.002 0.000 0.678 490 G C -0.135 174.927 174.900 0.270 0.000 1.349 490 G CA -0.527 44.665 45.100 0.153 0.000 0.847 490 G HN 1.092 nan 8.290 nan 0.000 0.548 491 G N -2.238 106.687 108.800 0.208 0.000 2.408 491 G HA2 0.539 4.500 3.960 0.002 0.000 0.682 491 G HA3 0.539 4.500 3.960 0.002 0.000 0.682 491 G C 0.684 175.613 174.900 0.048 0.000 1.303 491 G CA 0.875 46.050 45.100 0.124 0.000 0.966 491 G HN 2.432 nan 8.290 nan 0.000 0.560 492 A N -0.449 122.348 122.820 -0.039 0.000 2.238 492 A HA 0.392 4.714 4.320 0.002 0.000 0.210 492 A C 0.972 178.544 177.584 -0.020 0.000 1.179 492 A CA 1.033 53.039 52.037 -0.051 0.000 0.827 492 A CB -0.332 18.598 19.000 -0.118 0.000 0.856 492 A HN 0.795 nan 8.150 nan 0.000 0.488 493 N N -0.448 118.251 118.700 -0.003 0.000 2.513 493 N HA 0.346 5.087 4.740 0.002 0.000 0.268 493 N C 1.092 176.638 175.510 0.059 0.000 1.180 493 N CA 0.801 53.863 53.050 0.021 0.000 0.948 493 N CB 0.283 38.782 38.487 0.020 0.000 1.083 493 N HN 0.349 nan 8.380 nan 0.000 0.455 494 G N 1.852 110.687 108.800 0.058 0.000 2.232 494 G HA2 -0.235 3.726 3.960 0.002 0.000 0.226 494 G HA3 -0.235 3.726 3.960 0.002 0.000 0.226 494 G C 0.662 175.607 174.900 0.075 0.000 0.996 494 G CA 0.065 45.201 45.100 0.060 0.000 0.626 494 G HN 1.240 nan 8.290 nan 0.000 0.509 495 G N 0.093 108.957 108.800 0.107 0.000 2.356 495 G HA2 -0.328 3.633 3.960 0.002 0.000 0.296 495 G HA3 -0.328 3.633 3.960 0.002 0.000 0.296 495 G C 0.937 175.944 174.900 0.178 0.000 1.022 495 G CA 1.315 46.553 45.100 0.231 0.000 0.961 495 G HN 0.888 nan 8.290 nan 0.000 0.510 496 R N -0.901 119.629 120.500 0.050 0.000 2.299 496 R HA 0.127 4.468 4.340 0.002 0.000 0.197 496 R C 2.420 178.669 176.300 -0.084 0.000 0.971 496 R CA 0.598 56.651 56.100 -0.079 0.000 1.030 496 R CB -0.079 30.107 30.300 -0.190 0.000 0.932 496 R HN 0.523 nan 8.270 nan 0.000 0.477 497 I N 2.243 122.834 120.570 0.035 0.000 2.423 497 I HA -0.267 3.904 4.170 0.002 0.000 0.254 497 I C 2.103 178.233 176.117 0.022 0.000 1.151 497 I CA 1.552 62.876 61.300 0.040 0.000 1.421 497 I CB -0.052 38.016 38.000 0.113 0.000 1.079 497 I HN 0.064 nan 8.210 nan 0.000 0.431 498 R N -0.482 120.037 120.500 0.033 0.000 2.317 498 R HA 0.232 4.574 4.340 0.002 0.000 0.208 498 R C 0.010 176.219 176.300 -0.152 0.000 0.914 498 R CA 0.102 56.146 56.100 -0.092 0.000 1.060 498 R CB -0.360 29.756 30.300 -0.307 0.000 1.015 498 R HN 0.252 nan 8.270 nan 0.000 0.498 499 L N 0.986 122.106 121.223 -0.171 0.000 2.313 499 L HA 0.387 4.728 4.340 0.002 0.000 0.268 499 L C -0.049 176.654 176.870 -0.278 0.000 1.010 499 L CA -1.527 53.186 54.840 -0.211 0.000 0.814 499 L CB 1.663 43.588 42.059 -0.223 0.000 1.304 499 L HN 0.026 nan 8.230 nan 0.000 0.441 500 Q N 2.269 121.913 119.800 -0.259 0.000 2.304 500 Q HA 0.204 4.545 4.340 0.002 0.000 0.260 500 Q C -1.929 173.837 176.000 -0.390 0.000 0.965 500 Q CA -1.415 54.208 55.803 -0.300 0.000 0.898 500 Q CB 1.527 30.154 28.738 -0.185 0.000 1.196 500 Q HN 0.326 nan 8.270 nan 0.000 0.402 501 P HA 0.120 nan 4.420 nan 0.000 0.282 501 P C 0.629 177.156 177.300 -1.289 0.000 1.327 501 P CA 0.221 62.854 63.100 -0.778 0.000 0.949 501 P CB 0.684 31.893 31.700 -0.818 0.000 1.445 502 Q N -0.123 118.985 119.800 -1.153 0.000 2.170 502 Q HA -0.081 4.260 4.340 0.002 0.000 0.203 502 Q C 1.877 177.570 176.000 -0.512 0.000 0.976 502 Q CA 1.124 56.272 55.803 -1.092 0.000 0.858 502 Q CB -0.507 27.933 28.738 -0.497 0.000 0.907 502 Q HN 0.062 nan 8.270 nan 0.000 0.433 503 V N -0.335 119.375 119.914 -0.340 0.000 3.217 503 V HA -0.031 4.090 4.120 0.002 0.000 0.264 503 V C 1.503 177.544 176.094 -0.087 0.000 1.135 503 V CA 1.660 63.873 62.300 -0.145 0.000 1.142 503 V CB 0.016 31.769 31.823 -0.117 0.000 0.754 503 V HN 0.453 nan 8.190 nan 0.000 0.484 504 G N -1.810 106.903 108.800 -0.146 0.000 2.709 504 G HA2 -0.026 3.935 3.960 0.002 0.000 0.208 504 G HA3 -0.026 3.935 3.960 0.002 0.000 0.208 504 G C 0.415 175.443 174.900 0.214 0.000 1.129 504 G CA -0.515 44.591 45.100 0.010 0.000 0.793 504 G HN 0.569 nan 8.290 nan 0.000 0.524 505 W N 1.666 122.980 121.300 0.023 0.000 2.550 505 W HA 0.020 4.681 4.660 0.002 0.000 0.339 505 W C 1.527 178.045 176.519 -0.001 0.000 1.174 505 W CA -0.541 56.807 57.345 0.006 0.000 1.243 505 W CB 0.702 30.156 29.460 -0.010 0.000 1.172 505 W HN 0.202 nan 8.180 nan 0.000 0.566 506 E N 2.966 123.301 120.200 0.225 0.000 2.110 506 E HA -0.205 4.147 4.350 0.002 0.000 0.193 506 E C 1.787 178.416 176.600 0.049 0.000 0.988 506 E CA 1.521 58.010 56.400 0.149 0.000 0.804 506 E CB -0.424 29.369 29.700 0.155 0.000 0.745 506 E HN 0.367 nan 8.360 nan 0.000 0.458 507 V N 1.025 120.749 119.914 -0.317 0.000 2.407 507 V HA -0.203 3.918 4.120 0.002 0.000 0.248 507 V C 1.146 177.256 176.094 0.027 0.000 1.055 507 V CA 2.110 64.068 62.300 -0.570 0.000 1.049 507 V CB -0.569 30.694 31.823 -0.934 0.000 0.662 507 V HN 0.294 nan 8.190 nan 0.000 0.455 508 N N 0.549 119.327 118.700 0.130 0.000 2.571 508 N HA -0.052 4.689 4.740 0.002 0.000 0.189 508 N C 0.496 176.118 175.510 0.187 0.000 1.154 508 N CA 0.968 54.133 53.050 0.192 0.000 0.907 508 N CB -0.720 37.894 38.487 0.211 0.000 0.977 508 N HN 0.670 nan 8.380 nan 0.000 0.449 509 D N -0.288 120.244 120.400 0.221 0.000 3.003 509 D HA -0.132 4.510 4.640 0.002 0.000 0.223 509 D C -1.515 174.861 176.300 0.126 0.000 1.204 509 D CA 0.043 54.160 54.000 0.195 0.000 0.828 509 D CB 0.334 41.221 40.800 0.144 0.000 0.918 509 D HN 0.228 nan 8.370 nan 0.000 0.401 510 P HA -0.111 nan 4.420 nan 0.000 0.220 510 P C 0.843 178.184 177.300 0.067 0.000 1.152 510 P CA 1.264 64.417 63.100 0.087 0.000 0.812 510 P CB 0.038 31.789 31.700 0.085 0.000 0.792 511 D N -0.594 119.848 120.400 0.071 0.000 2.378 511 D HA 0.040 4.681 4.640 0.002 0.000 0.227 511 D C 1.446 177.770 176.300 0.040 0.000 1.012 511 D CA 0.366 54.397 54.000 0.053 0.000 0.905 511 D CB -0.693 40.141 40.800 0.057 0.000 0.895 511 D HN 0.145 nan 8.370 nan 0.000 0.532 512 G N -0.093 108.733 108.800 0.042 0.000 2.945 512 G HA2 0.093 4.054 3.960 0.002 0.000 0.156 512 G HA3 0.093 4.054 3.960 0.002 0.000 0.156 512 G C 0.463 175.387 174.900 0.039 0.000 1.375 512 G CA -0.345 44.774 45.100 0.031 0.000 1.039 512 G HN -0.114 nan 8.290 nan 0.000 0.586 513 D N -0.555 119.870 120.400 0.041 0.000 2.263 513 D HA -0.090 4.551 4.640 0.002 0.000 0.208 513 D C 2.425 178.760 176.300 0.058 0.000 0.971 513 D CA 0.156 54.184 54.000 0.046 0.000 0.867 513 D CB -0.010 40.819 40.800 0.048 0.000 0.929 513 D HN 0.110 nan 8.370 nan 0.000 0.492 514 L N 1.319 122.582 121.223 0.068 0.000 2.021 514 L HA -0.242 4.100 4.340 0.002 0.000 0.215 514 L C 2.098 179.011 176.870 0.072 0.000 1.074 514 L CA 1.795 56.683 54.840 0.080 0.000 0.760 514 L CB -0.267 41.843 42.059 0.084 0.000 0.889 514 L HN -0.077 nan 8.230 nan 0.000 0.433 515 R N -0.159 120.371 120.500 0.051 0.000 2.083 515 R HA -0.205 4.136 4.340 0.002 0.000 0.237 515 R C 2.305 178.629 176.300 0.042 0.000 1.137 515 R CA 1.729 57.850 56.100 0.035 0.000 0.951 515 R CB -0.764 29.549 30.300 0.022 0.000 0.851 515 R HN 0.501 nan 8.270 nan 0.000 0.434 516 K N 0.965 121.392 120.400 0.044 0.000 2.057 516 K HA -0.095 4.226 4.320 0.002 0.000 0.207 516 K C 2.008 178.645 176.600 0.061 0.000 1.049 516 K CA 1.352 57.666 56.287 0.044 0.000 0.931 516 K CB 0.105 32.628 32.500 0.038 0.000 0.714 516 K HN -0.033 nan 8.250 nan 0.000 0.440 517 V N 1.562 121.522 119.914 0.076 0.000 2.358 517 V HA -0.240 3.881 4.120 0.002 0.000 0.246 517 V C 2.291 178.476 176.094 0.152 0.000 1.047 517 V CA 1.620 63.977 62.300 0.096 0.000 1.035 517 V CB -0.389 31.491 31.823 0.095 0.000 0.658 517 V HN 0.294 nan 8.190 nan 0.000 0.452 518 I N -0.220 120.452 120.570 0.171 0.000 2.142 518 I HA -0.260 3.912 4.170 0.002 0.000 0.240 518 I C 2.785 178.986 176.117 0.141 0.000 1.078 518 I CA 1.889 63.328 61.300 0.233 0.000 1.343 518 I CB -0.512 37.544 38.000 0.094 0.000 1.046 518 I HN 0.192 nan 8.210 nan 0.000 0.405 519 R N 0.661 121.200 120.500 0.064 0.000 2.094 519 R HA -0.208 4.133 4.340 0.002 0.000 0.239 519 R C 2.269 178.607 176.300 0.064 0.000 1.137 519 R CA 2.557 58.680 56.100 0.038 0.000 0.943 519 R CB -0.477 29.839 30.300 0.026 0.000 0.850 519 R HN 0.338 nan 8.270 nan 0.000 0.433 520 T N 1.265 115.865 114.554 0.075 0.000 2.867 520 T HA -0.084 4.268 4.350 0.002 0.000 0.268 520 T C 1.824 176.579 174.700 0.092 0.000 1.057 520 T CA 1.177 63.319 62.100 0.070 0.000 1.136 520 T CB -0.062 68.840 68.868 0.056 0.000 0.874 520 T HN 0.197 nan 8.240 nan 0.000 0.466 521 L N 0.399 121.712 121.223 0.149 0.000 2.179 521 L HA 0.043 4.385 4.340 0.002 0.000 0.208 521 L C 2.713 179.729 176.870 0.243 0.000 1.096 521 L CA 1.048 55.994 54.840 0.176 0.000 0.779 521 L CB -0.437 41.728 42.059 0.176 0.000 0.922 521 L HN 0.251 nan 8.230 nan 0.000 0.443 522 E N 0.237 120.585 120.200 0.247 0.000 2.077 522 E HA -0.239 4.112 4.350 0.002 0.000 0.193 522 E C 2.029 178.687 176.600 0.096 0.000 0.989 522 E CA 1.195 57.680 56.400 0.143 0.000 0.800 522 E CB -0.023 29.674 29.700 -0.004 0.000 0.746 522 E HN 0.495 nan 8.360 nan 0.000 0.452 523 E N 0.586 120.832 120.200 0.077 0.000 2.058 523 E HA -0.204 4.147 4.350 0.002 0.000 0.194 523 E C 2.105 178.749 176.600 0.073 0.000 0.997 523 E CA 1.062 57.498 56.400 0.061 0.000 0.801 523 E CB -0.131 29.598 29.700 0.048 0.000 0.746 523 E HN 0.270 nan 8.360 nan 0.000 0.450 524 I N 0.969 121.587 120.570 0.079 0.000 2.394 524 I HA -0.276 3.896 4.170 0.002 0.000 0.251 524 I C 2.728 178.914 176.117 0.115 0.000 1.136 524 I CA 0.919 62.268 61.300 0.081 0.000 1.425 524 I CB -0.238 37.791 38.000 0.048 0.000 1.079 524 I HN 0.166 nan 8.210 nan 0.000 0.425 525 Q N 1.221 121.093 119.800 0.120 0.000 2.020 525 Q HA -0.255 4.087 4.340 0.002 0.000 0.202 525 Q C 2.057 178.157 176.000 0.166 0.000 0.982 525 Q CA 1.918 57.809 55.803 0.145 0.000 0.838 525 Q CB 0.027 28.862 28.738 0.162 0.000 0.899 525 Q HN 0.555 nan 8.270 nan 0.000 0.423 526 E N -0.085 120.185 120.200 0.117 0.000 2.038 526 E HA -0.165 4.187 4.350 0.002 0.000 0.195 526 E C 2.164 178.818 176.600 0.091 0.000 1.000 526 E CA 1.518 57.972 56.400 0.089 0.000 0.803 526 E CB -0.066 29.668 29.700 0.058 0.000 0.750 526 E HN 0.238 nan 8.360 nan 0.000 0.448 527 S N 0.617 116.375 115.700 0.096 0.000 2.374 527 S HA -0.195 4.276 4.470 0.002 0.000 0.227 527 S C 1.681 176.343 174.600 0.105 0.000 1.037 527 S CA 1.273 59.523 58.200 0.084 0.000 1.024 527 S CB -0.318 62.933 63.200 0.085 0.000 0.861 527 S HN 0.299 nan 8.310 nan 0.000 0.456 528 F N 2.631 122.587 119.950 0.011 0.000 2.187 528 F HA 0.039 4.567 4.527 0.002 0.000 0.295 528 F C 1.945 177.748 175.800 0.005 0.000 1.091 528 F CA 0.940 58.944 58.000 0.005 0.000 1.308 528 F CB -0.230 38.773 39.000 0.005 0.000 1.030 528 F HN 0.065 nan 8.300 nan 0.000 0.487 529 N N 0.225 118.999 118.700 0.123 0.000 2.171 529 N HA -0.100 4.641 4.740 0.002 0.000 0.184 529 N C 1.253 176.728 175.510 -0.058 0.000 1.021 529 N CA 1.521 54.589 53.050 0.030 0.000 0.854 529 N CB -0.593 37.973 38.487 0.131 0.000 0.994 529 N HN 0.300 nan 8.380 nan 0.000 0.426 530 S N -0.808 114.878 115.700 -0.022 0.000 2.577 530 S HA 0.670 5.142 4.470 0.002 0.000 0.239 530 S C 0.645 175.213 174.600 -0.052 0.000 1.236 530 S CA -0.246 57.935 58.200 -0.032 0.000 1.233 530 S CB 0.693 63.891 63.200 -0.002 0.000 0.908 530 S HN 0.297 nan 8.310 nan 0.000 0.493 531 A N 1.412 124.166 122.820 -0.109 0.000 2.080 531 A HA 0.870 5.191 4.320 0.002 0.000 0.211 531 A C 0.955 178.467 177.584 -0.120 0.000 1.708 531 A CA 0.379 52.352 52.037 -0.107 0.000 0.825 531 A CB -0.396 18.526 19.000 -0.130 0.000 1.261 531 A HN 0.971 nan 8.150 nan 0.000 0.573 532 A N 0.324 123.032 122.820 -0.186 0.000 2.287 532 A HA 0.629 4.950 4.320 0.002 0.000 0.317 532 A C -1.278 176.214 177.584 -0.152 0.000 1.220 532 A CA -1.315 50.629 52.037 -0.154 0.000 0.835 532 A CB 0.172 19.075 19.000 -0.163 0.000 1.180 532 A HN 0.181 nan 8.150 nan 0.000 0.500 533 P HA -0.218 nan 4.420 nan 0.000 0.218 533 P C 1.218 178.462 177.300 -0.093 0.000 1.132 533 P CA 2.049 65.103 63.100 -0.075 0.000 0.968 533 P CB -0.362 31.308 31.700 -0.051 0.000 0.783 534 G N -0.710 108.032 108.800 -0.096 0.000 4.071 534 G HA2 -0.304 3.658 3.960 0.002 0.000 0.898 534 G HA3 -0.304 3.658 3.960 0.002 0.000 0.898 534 G C 0.769 175.566 174.900 -0.171 0.000 1.343 534 G CA 0.508 45.540 45.100 -0.113 0.000 0.944 534 G HN 0.391 nan 8.290 nan 0.000 0.570 535 N N -0.661 117.900 118.700 -0.231 0.000 2.422 535 N HA -0.013 4.729 4.740 0.002 0.000 0.181 535 N C 0.701 175.817 175.510 -0.658 0.000 1.080 535 N CA 0.156 52.860 53.050 -0.577 0.000 0.893 535 N CB 0.431 38.676 38.487 -0.403 0.000 0.973 535 N HN 0.306 nan 8.380 nan 0.000 0.456 536 I N 2.251 122.658 120.570 -0.272 0.000 2.471 536 I HA 0.104 4.276 4.170 0.002 0.000 0.286 536 I C 0.397 176.521 176.117 0.012 0.000 1.079 536 I CA 0.297 61.546 61.300 -0.085 0.000 1.398 536 I CB 0.148 38.172 38.000 0.040 0.000 1.403 536 I HN -0.164 nan 8.210 nan 0.000 0.530 537 K N 4.697 125.169 120.400 0.119 0.000 2.375 537 K HA 0.679 5.000 4.320 0.002 0.000 0.249 537 K C -1.216 175.535 176.600 0.251 0.000 0.942 537 K CA -0.777 55.641 56.287 0.218 0.000 0.806 537 K CB 3.299 35.893 32.500 0.156 0.000 1.227 537 K HN 0.279 nan 8.250 nan 0.000 0.430 538 V N 1.730 121.806 119.914 0.271 0.000 2.680 538 V HA 0.405 4.526 4.120 0.002 0.000 0.309 538 V C -0.584 175.572 176.094 0.102 0.000 1.052 538 V CA -0.351 62.007 62.300 0.097 0.000 0.908 538 V CB 1.984 33.703 31.823 -0.175 0.000 1.001 538 V HN 0.968 nan 8.190 nan 0.000 0.431 539 S N 4.880 120.629 115.700 0.081 0.000 2.654 539 S HA 0.365 4.837 4.470 0.002 0.000 0.283 539 S C 0.660 175.335 174.600 0.126 0.000 1.180 539 S CA -0.243 58.026 58.200 0.114 0.000 1.021 539 S CB 1.215 64.476 63.200 0.102 0.000 1.018 539 S HN 0.793 nan 8.310 nan 0.000 0.532 540 F N 2.079 122.038 119.950 0.016 0.000 2.293 540 F HA 0.106 4.635 4.527 0.002 0.000 0.300 540 F C 2.258 178.067 175.800 0.015 0.000 1.086 540 F CA 1.280 59.285 58.000 0.008 0.000 1.375 540 F CB -0.793 38.210 39.000 0.004 0.000 1.045 540 F HN 0.787 nan 8.300 nan 0.000 0.516 541 A N 1.035 123.896 122.820 0.069 0.000 1.865 541 A HA -0.276 4.046 4.320 0.002 0.000 0.217 541 A C 1.745 179.272 177.584 -0.095 0.000 1.191 541 A CA 2.168 54.192 52.037 -0.023 0.000 0.623 541 A CB -1.200 17.834 19.000 0.057 0.000 0.826 541 A HN 0.577 nan 8.150 nan 0.000 0.444 542 D N -0.924 119.473 120.400 -0.005 0.000 2.347 542 D HA 0.041 4.682 4.640 0.002 0.000 0.213 542 D C 1.437 177.765 176.300 0.046 0.000 0.985 542 D CA 0.259 54.335 54.000 0.127 0.000 0.879 542 D CB -0.392 40.588 40.800 0.300 0.000 0.919 542 D HN 0.294 nan 8.370 nan 0.000 0.526 543 L N 0.365 121.509 121.223 -0.133 0.000 2.141 543 L HA -0.058 4.283 4.340 0.002 0.000 0.209 543 L C 2.208 178.915 176.870 -0.272 0.000 1.094 543 L CA 0.849 55.554 54.840 -0.225 0.000 0.763 543 L CB -0.057 41.885 42.059 -0.194 0.000 0.908 543 L HN -0.062 nan 8.230 nan 0.000 0.437 544 V N -1.678 117.996 119.914 -0.400 0.000 2.343 544 V HA -0.264 3.857 4.120 0.002 0.000 0.247 544 V C 2.331 178.369 176.094 -0.093 0.000 1.051 544 V CA 1.651 63.758 62.300 -0.321 0.000 1.036 544 V CB -0.365 31.196 31.823 -0.436 0.000 0.654 544 V HN 0.244 nan 8.190 nan 0.000 0.451 545 V N -0.459 119.440 119.914 -0.026 0.000 2.323 545 V HA -0.185 3.936 4.120 0.002 0.000 0.244 545 V C 2.342 178.536 176.094 0.166 0.000 1.041 545 V CA 1.809 64.187 62.300 0.130 0.000 1.025 545 V CB -0.499 31.441 31.823 0.195 0.000 0.656 545 V HN 0.496 nan 8.190 nan 0.000 0.451 546 L N 1.459 122.639 121.223 -0.073 0.000 2.042 546 L HA -0.050 4.291 4.340 0.002 0.000 0.210 546 L C 2.315 179.056 176.870 -0.214 0.000 1.076 546 L CA 2.472 57.017 54.840 -0.492 0.000 0.749 546 L CB -1.353 40.169 42.059 -0.896 0.000 0.893 546 L HN 0.275 nan 8.230 nan 0.000 0.432 547 G N -1.170 107.551 108.800 -0.133 0.000 2.418 547 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 547 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 547 G C 1.538 176.440 174.900 0.004 0.000 1.158 547 G CA 0.564 45.621 45.100 -0.072 0.000 0.771 547 G HN 0.596 nan 8.290 nan 0.000 0.545 548 G N 0.026 108.889 108.800 0.105 0.000 2.442 548 G HA2 -0.249 3.713 3.960 0.002 0.000 0.219 548 G HA3 -0.249 3.713 3.960 0.002 0.000 0.219 548 G C 1.814 176.787 174.900 0.121 0.000 1.141 548 G CA 1.329 46.568 45.100 0.231 0.000 0.763 548 G HN 0.466 nan 8.290 nan 0.000 0.554 549 C N 0.559 119.957 119.300 0.163 0.000 2.450 549 C HA 0.326 4.788 4.460 0.002 0.000 0.279 549 C C 3.472 178.434 174.990 -0.046 0.000 1.335 549 C CA 0.605 59.674 59.018 0.086 0.000 1.749 549 C CB -0.717 27.133 27.740 0.183 0.000 1.963 549 C HN 0.565 nan 8.230 nan 0.000 0.501 550 A N 0.583 123.363 122.820 -0.066 0.000 1.897 550 A HA 0.174 4.495 4.320 0.002 0.000 0.215 550 A C 2.360 179.901 177.584 -0.072 0.000 1.181 550 A CA 1.724 53.715 52.037 -0.076 0.000 0.620 550 A CB -0.836 18.111 19.000 -0.087 0.000 0.821 550 A HN 0.515 nan 8.150 nan 0.000 0.443 551 A N -0.048 122.728 122.820 -0.072 0.000 1.908 551 A HA -0.136 4.186 4.320 0.002 0.000 0.218 551 A C 2.114 179.626 177.584 -0.121 0.000 1.181 551 A CA 1.640 53.629 52.037 -0.079 0.000 0.627 551 A CB -0.512 18.450 19.000 -0.063 0.000 0.818 551 A HN 0.507 nan 8.150 nan 0.000 0.445 552 I N -0.306 120.151 120.570 -0.188 0.000 2.546 552 I HA -0.144 4.027 4.170 0.002 0.000 0.255 552 I C 1.915 177.949 176.117 -0.138 0.000 1.163 552 I CA 1.603 62.767 61.300 -0.228 0.000 1.457 552 I CB -0.635 37.109 38.000 -0.427 0.000 1.092 552 I HN 0.463 nan 8.210 nan 0.000 0.434 553 E N 0.461 120.602 120.200 -0.098 0.000 2.107 553 E HA -0.232 4.119 4.350 0.002 0.000 0.191 553 E C 2.115 178.691 176.600 -0.040 0.000 0.982 553 E CA 0.914 57.281 56.400 -0.054 0.000 0.809 553 E CB 0.050 29.726 29.700 -0.040 0.000 0.756 553 E HN 0.346 nan 8.360 nan 0.000 0.459 554 K N 0.358 120.729 120.400 -0.048 0.000 2.103 554 K HA -0.031 4.290 4.320 0.002 0.000 0.204 554 K C 2.034 178.614 176.600 -0.032 0.000 1.052 554 K CA 0.882 57.148 56.287 -0.034 0.000 0.945 554 K CB 0.019 32.499 32.500 -0.034 0.000 0.722 554 K HN 0.063 nan 8.250 nan 0.000 0.443 555 A N 1.089 123.875 122.820 -0.056 0.000 1.898 555 A HA -0.067 4.255 4.320 0.002 0.000 0.216 555 A C 2.256 179.820 177.584 -0.034 0.000 1.181 555 A CA 1.731 53.733 52.037 -0.059 0.000 0.620 555 A CB -0.610 18.326 19.000 -0.107 0.000 0.819 555 A HN 0.434 nan 8.150 nan 0.000 0.442 556 A N -0.288 122.511 122.820 -0.034 0.000 2.014 556 A HA -0.045 4.277 4.320 0.002 0.000 0.218 556 A C 2.007 179.643 177.584 0.087 0.000 1.163 556 A CA 2.032 54.075 52.037 0.011 0.000 0.652 556 A CB -0.308 18.681 19.000 -0.017 0.000 0.808 556 A HN 0.498 nan 8.150 nan 0.000 0.449 557 K N 0.386 120.813 120.400 0.045 0.000 2.103 557 K HA 0.124 4.445 4.320 0.002 0.000 0.204 557 K C 1.876 178.499 176.600 0.038 0.000 1.052 557 K CA 1.470 57.783 56.287 0.043 0.000 0.945 557 K CB -0.465 32.046 32.500 0.018 0.000 0.722 557 K HN 0.243 nan 8.250 nan 0.000 0.443 558 A N 0.402 123.239 122.820 0.029 0.000 1.972 558 A HA 0.077 4.398 4.320 0.002 0.000 0.219 558 A C 1.852 179.462 177.584 0.043 0.000 1.169 558 A CA 1.506 53.558 52.037 0.025 0.000 0.635 558 A CB -0.592 18.414 19.000 0.011 0.000 0.810 558 A HN 0.387 nan 8.150 nan 0.000 0.446 559 A N -1.120 121.747 122.820 0.079 0.000 2.833 559 A HA 0.483 4.804 4.320 0.002 0.000 0.293 559 A C 1.318 179.015 177.584 0.189 0.000 1.338 559 A CA 0.568 52.680 52.037 0.126 0.000 0.959 559 A CB -1.346 17.740 19.000 0.142 0.000 1.094 559 A HN 1.802 nan 8.150 nan 0.000 0.569 560 G N 0.213 109.059 108.800 0.078 0.000 2.283 560 G HA2 -0.257 3.705 3.960 0.002 0.000 0.280 560 G HA3 -0.257 3.705 3.960 0.002 0.000 0.280 560 G C -0.218 174.572 174.900 -0.184 0.000 1.029 560 G CA 0.834 45.910 45.100 -0.040 0.000 0.840 560 G HN 0.834 nan 8.290 nan 0.000 0.505 561 H N -0.525 118.553 119.070 0.013 0.000 2.505 561 H HA 0.447 5.005 4.556 0.002 0.000 0.338 561 H C 0.100 175.431 175.328 0.005 0.000 1.057 561 H CA -0.698 55.358 56.048 0.014 0.000 1.202 561 H CB 0.975 30.750 29.762 0.021 0.000 1.466 561 H HN 0.266 nan 8.280 nan 0.000 0.499 562 N N 3.919 122.673 118.700 0.089 0.000 2.521 562 N HA 0.279 5.020 4.740 0.002 0.000 0.236 562 N C -0.755 174.794 175.510 0.065 0.000 1.067 562 N CA -0.331 52.753 53.050 0.057 0.000 0.939 562 N CB 0.543 39.047 38.487 0.028 0.000 1.201 562 N HN 0.479 nan 8.380 nan 0.000 0.511 563 I N -1.179 119.425 120.570 0.057 0.000 2.689 563 I HA 0.523 4.695 4.170 0.002 0.000 0.299 563 I C -0.491 175.640 176.117 0.024 0.000 1.059 563 I CA -0.882 60.443 61.300 0.042 0.000 1.055 563 I CB 2.220 40.242 38.000 0.037 0.000 1.243 563 I HN 0.015 nan 8.210 nan 0.000 0.425 564 T N 4.269 118.838 114.554 0.025 0.000 2.753 564 T HA 0.384 4.735 4.350 0.002 0.000 0.297 564 T C 0.053 174.772 174.700 0.032 0.000 0.981 564 T CA -0.472 61.642 62.100 0.024 0.000 0.956 564 T CB 1.013 69.897 68.868 0.028 0.000 0.936 564 T HN 0.408 nan 8.240 nan 0.000 0.463 565 V N 7.349 127.282 119.914 0.031 0.000 2.479 565 V HA 0.175 4.296 4.120 0.002 0.000 0.281 565 V C -1.691 174.466 176.094 0.106 0.000 1.031 565 V CA -1.428 60.907 62.300 0.059 0.000 1.038 565 V CB -0.201 31.644 31.823 0.038 0.000 0.981 565 V HN 0.702 nan 8.190 nan 0.000 0.478 566 P HA 0.433 nan 4.420 nan 0.000 0.276 566 P C -1.014 176.403 177.300 0.196 0.000 1.244 566 P CA -0.318 62.852 63.100 0.116 0.000 0.801 566 P CB 0.670 32.404 31.700 0.057 0.000 1.006 567 F N 0.167 120.117 119.950 -0.001 0.000 2.604 567 F HA 0.452 4.981 4.527 0.002 0.000 0.316 567 F C -1.231 174.550 175.800 -0.033 0.000 1.136 567 F CA -0.334 57.659 58.000 -0.011 0.000 0.989 567 F CB 1.896 40.894 39.000 -0.005 0.000 1.258 567 F HN 0.284 nan 8.300 nan 0.000 0.451 568 T N 7.817 121.823 114.554 -0.913 0.000 2.786 568 T HA 0.648 4.999 4.350 0.002 0.000 0.283 568 T C -2.835 171.275 174.700 -0.982 0.000 0.992 568 T CA -2.022 59.655 62.100 -0.706 0.000 0.954 568 T CB 1.380 70.033 68.868 -0.359 0.000 0.934 568 T HN 0.483 nan 8.240 nan 0.000 0.440 569 P HA 0.549 nan 4.420 nan 0.000 0.279 569 P C 0.733 177.945 177.300 -0.146 0.000 1.282 569 P CA 0.239 63.215 63.100 -0.207 0.000 0.788 569 P CB 0.794 32.521 31.700 0.045 0.000 1.139 570 G N -1.196 107.571 108.800 -0.056 0.000 2.296 570 G HA2 -0.148 3.814 3.960 0.002 0.000 0.188 570 G HA3 -0.148 3.814 3.960 0.002 0.000 0.188 570 G C 0.252 175.137 174.900 -0.026 0.000 1.000 570 G CA -0.523 44.555 45.100 -0.037 0.000 0.672 570 G HN 0.528 nan 8.290 nan 0.000 0.483 571 R N 1.388 121.868 120.500 -0.035 0.000 2.698 571 R HA 0.466 4.808 4.340 0.002 0.000 0.266 571 R C 0.495 176.811 176.300 0.027 0.000 1.026 571 R CA 1.347 57.441 56.100 -0.009 0.000 1.102 571 R CB 0.321 30.612 30.300 -0.015 0.000 0.978 571 R HN 0.441 nan 8.270 nan 0.000 0.436 572 T N -1.784 112.791 114.554 0.036 0.000 2.903 572 T HA 0.266 4.617 4.350 0.002 0.000 0.299 572 T C -0.955 173.782 174.700 0.061 0.000 1.093 572 T CA -1.233 60.897 62.100 0.049 0.000 1.002 572 T CB 2.022 70.911 68.868 0.035 0.000 1.127 572 T HN 0.298 nan 8.240 nan 0.000 0.488 573 D N 1.567 122.009 120.400 0.070 0.000 2.280 573 D HA 0.528 5.169 4.640 0.002 0.000 0.243 573 D C 0.405 176.724 176.300 0.032 0.000 1.129 573 D CA -0.149 53.893 54.000 0.071 0.000 0.848 573 D CB 1.592 42.441 40.800 0.082 0.000 1.107 573 D HN 0.880 nan 8.370 nan 0.000 0.471 574 A N 2.326 125.158 122.820 0.020 0.000 2.313 574 A HA 0.483 4.804 4.320 0.002 0.000 0.261 574 A C 0.635 178.201 177.584 -0.030 0.000 1.090 574 A CA -0.439 51.595 52.037 -0.005 0.000 0.807 574 A CB 0.417 19.411 19.000 -0.010 0.000 1.055 574 A HN 0.549 nan 8.150 nan 0.000 0.492 575 S N -0.597 115.082 115.700 -0.036 0.000 2.722 575 S HA 0.375 4.847 4.470 0.002 0.000 0.292 575 S C 0.693 175.252 174.600 -0.067 0.000 1.135 575 S CA -0.176 57.995 58.200 -0.049 0.000 1.003 575 S CB 1.294 64.474 63.200 -0.033 0.000 1.067 575 S HN 0.706 nan 8.310 nan 0.000 0.546 576 Q N 0.551 120.306 119.800 -0.075 0.000 2.170 576 Q HA -0.119 4.222 4.340 0.002 0.000 0.203 576 Q C 1.823 177.791 176.000 -0.054 0.000 0.976 576 Q CA 1.990 57.742 55.803 -0.086 0.000 0.858 576 Q CB -0.412 28.278 28.738 -0.080 0.000 0.907 576 Q HN 0.876 nan 8.270 nan 0.000 0.433 577 E N -0.371 119.810 120.200 -0.032 0.000 2.265 577 E HA -0.183 4.168 4.350 0.002 0.000 0.196 577 E C 0.867 177.470 176.600 0.004 0.000 0.996 577 E CA 0.836 57.231 56.400 -0.009 0.000 0.832 577 E CB 0.132 29.827 29.700 -0.008 0.000 0.756 577 E HN 0.564 nan 8.360 nan 0.000 0.491 578 Q N -0.246 119.551 119.800 -0.005 0.000 2.280 578 Q HA 0.078 4.419 4.340 0.002 0.000 0.202 578 Q C -0.544 175.479 176.000 0.039 0.000 0.903 578 Q CA 0.222 56.034 55.803 0.014 0.000 0.948 578 Q CB 1.073 29.812 28.738 0.003 0.000 1.058 578 Q HN -0.063 nan 8.270 nan 0.000 0.493 579 T N 0.839 115.397 114.554 0.007 0.000 2.963 579 T HA 0.075 4.426 4.350 0.002 0.000 0.328 579 T C -1.083 173.651 174.700 0.057 0.000 1.048 579 T CA -0.724 61.353 62.100 -0.037 0.000 1.033 579 T CB 0.980 69.676 68.868 -0.286 0.000 1.010 579 T HN -0.020 nan 8.240 nan 0.000 0.469 580 D N 3.290 123.850 120.400 0.266 0.000 2.359 580 D HA 0.101 4.742 4.640 0.002 0.000 0.250 580 D C 1.358 177.855 176.300 0.328 0.000 1.264 580 D CA -0.340 53.819 54.000 0.265 0.000 0.911 580 D CB 0.806 41.770 40.800 0.274 0.000 1.056 580 D HN 0.203 nan 8.370 nan 0.000 0.499 581 V N 4.477 124.493 119.914 0.170 0.000 2.392 581 V HA -0.259 3.863 4.120 0.002 0.000 0.249 581 V C 2.284 178.510 176.094 0.220 0.000 1.059 581 V CA 2.241 64.624 62.300 0.137 0.000 1.051 581 V CB -0.677 31.173 31.823 0.046 0.000 0.658 581 V HN 0.712 nan 8.190 nan 0.000 0.455 582 E N 0.183 120.503 120.200 0.200 0.000 2.216 582 E HA -0.154 4.197 4.350 0.002 0.000 0.192 582 E C 2.256 178.987 176.600 0.218 0.000 0.988 582 E CA 1.216 57.735 56.400 0.200 0.000 0.834 582 E CB -0.301 29.492 29.700 0.155 0.000 0.772 582 E HN 0.485 nan 8.360 nan 0.000 0.479 583 S N -0.199 115.640 115.700 0.233 0.000 2.406 583 S HA -0.039 4.433 4.470 0.002 0.000 0.228 583 S C 1.317 175.992 174.600 0.125 0.000 1.020 583 S CA 0.352 58.653 58.200 0.169 0.000 0.965 583 S CB -0.348 62.943 63.200 0.151 0.000 0.798 583 S HN 0.352 nan 8.310 nan 0.000 0.488 584 F N 1.501 121.556 119.950 0.175 0.000 2.780 584 F HA 0.397 4.925 4.527 0.002 0.000 0.299 584 F C 2.204 178.239 175.800 0.392 0.000 1.146 584 F CA 0.346 58.484 58.000 0.230 0.000 1.428 584 F CB -0.223 38.875 39.000 0.164 0.000 1.115 584 F HN 0.286 nan 8.300 nan 0.000 0.583 585 A N -0.068 123.033 122.820 0.469 0.000 2.014 585 A HA -0.085 4.236 4.320 0.002 0.000 0.218 585 A C 2.227 179.883 177.584 0.120 0.000 1.163 585 A CA 1.596 53.889 52.037 0.426 0.000 0.652 585 A CB -1.083 18.113 19.000 0.325 0.000 0.808 585 A HN 0.245 nan 8.150 nan 0.000 0.449 586 V N -2.485 117.474 119.914 0.074 0.000 2.809 586 V HA 0.001 4.122 4.120 0.002 0.000 0.256 586 V C 1.835 177.846 176.094 -0.139 0.000 1.080 586 V CA 1.220 63.478 62.300 -0.071 0.000 1.102 586 V CB -0.882 30.907 31.823 -0.056 0.000 0.705 586 V HN 0.430 nan 8.190 nan 0.000 0.475 587 L N 0.609 121.824 121.223 -0.013 0.000 2.650 587 L HA 0.198 4.540 4.340 0.002 0.000 0.235 587 L C 1.204 178.011 176.870 -0.105 0.000 1.149 587 L CA 0.515 55.355 54.840 0.001 0.000 0.887 587 L CB -0.304 41.851 42.059 0.161 0.000 1.021 587 L HN 0.481 nan 8.230 nan 0.000 0.441 588 E N 1.987 121.953 120.200 -0.389 0.000 2.194 588 E HA 0.206 4.558 4.350 0.002 0.000 0.284 588 E C -2.157 174.136 176.600 -0.511 0.000 1.035 588 E CA -2.132 53.740 56.400 -0.880 0.000 0.836 588 E CB 1.063 29.789 29.700 -1.623 0.000 1.070 588 E HN -0.041 nan 8.360 nan 0.000 0.401 589 P HA 0.013 nan 4.420 nan 0.000 0.265 589 P C -0.687 176.559 177.300 -0.090 0.000 1.222 589 P CA 0.214 63.209 63.100 -0.174 0.000 0.767 589 P CB 0.490 32.128 31.700 -0.104 0.000 0.801 590 K N 1.880 122.276 120.400 -0.006 0.000 2.444 590 K HA 0.394 4.716 4.320 0.002 0.000 0.193 590 K C 0.441 177.159 176.600 0.197 0.000 1.024 590 K CA 0.095 56.452 56.287 0.116 0.000 1.077 590 K CB 0.428 32.944 32.500 0.027 0.000 0.833 590 K HN 0.444 nan 8.250 nan 0.000 0.517 591 A N 1.349 124.295 122.820 0.209 0.000 2.532 591 A HA 0.338 4.660 4.320 0.002 0.000 0.296 591 A C -1.952 175.777 177.584 0.243 0.000 1.058 591 A CA -0.808 51.341 52.037 0.185 0.000 0.729 591 A CB 1.241 20.269 19.000 0.046 0.000 1.285 591 A HN 0.017 nan 8.150 nan 0.000 0.396 592 D N 2.149 122.746 120.400 0.328 0.000 2.358 592 D HA 0.424 5.065 4.640 0.002 0.000 0.253 592 D C 1.194 177.654 176.300 0.267 0.000 1.288 592 D CA 0.448 54.643 54.000 0.325 0.000 0.950 592 D CB 1.176 42.186 40.800 0.351 0.000 1.197 592 D HN 0.622 nan 8.370 nan 0.000 0.550 593 G N 1.529 110.424 108.800 0.160 0.000 2.470 593 G HA2 -0.225 3.737 3.960 0.002 0.000 0.220 593 G HA3 -0.225 3.737 3.960 0.002 0.000 0.220 593 G C 1.120 175.974 174.900 -0.076 0.000 1.121 593 G CA 0.365 45.461 45.100 -0.006 0.000 0.766 593 G HN 0.475 nan 8.290 nan 0.000 0.553 594 F N -0.120 119.881 119.950 0.085 0.000 2.558 594 F HA 0.235 4.763 4.527 0.002 0.000 0.298 594 F C 2.567 178.258 175.800 -0.182 0.000 1.119 594 F CA 0.625 58.570 58.000 -0.092 0.000 1.451 594 F CB 0.327 39.253 39.000 -0.123 0.000 1.091 594 F HN -0.008 nan 8.300 nan 0.000 0.563 595 R N -0.459 120.138 120.500 0.162 0.000 2.543 595 R HA 0.125 4.466 4.340 0.002 0.000 0.323 595 R C 0.094 176.505 176.300 0.185 0.000 1.002 595 R CA -0.106 56.084 56.100 0.149 0.000 1.106 595 R CB -0.296 30.159 30.300 0.259 0.000 1.280 595 R HN 0.146 nan 8.270 nan 0.000 0.549 596 N N 0.734 119.506 118.700 0.120 0.000 2.710 596 N HA -0.288 4.453 4.740 0.002 0.000 0.249 596 N C -1.033 174.577 175.510 0.167 0.000 1.059 596 N CA 0.295 53.410 53.050 0.107 0.000 0.720 596 N CB -0.537 37.995 38.487 0.074 0.000 0.983 596 N HN 0.307 nan 8.380 nan 0.000 0.544 597 Y N 0.600 120.907 120.300 0.012 0.000 2.323 597 Y HA 0.560 5.111 4.550 0.002 0.000 0.331 597 Y C -0.664 175.166 175.900 -0.117 0.000 1.092 597 Y CA -0.840 57.159 58.100 -0.167 0.000 1.150 597 Y CB 0.954 39.196 38.460 -0.364 0.000 1.200 597 Y HN 0.151 nan 8.280 nan 0.000 0.472 598 L N 6.887 127.578 121.223 -0.886 0.000 2.518 598 L HA 0.626 4.967 4.340 0.002 0.000 0.262 598 L C -0.165 176.190 176.870 -0.857 0.000 0.982 598 L CA -0.122 54.304 54.840 -0.690 0.000 0.873 598 L CB 1.058 42.951 42.059 -0.277 0.000 1.198 598 L HN 0.838 nan 8.230 nan 0.000 0.427 599 G N 2.868 111.110 108.800 -0.931 0.000 2.588 599 G HA2 0.308 4.270 3.960 0.002 0.000 0.278 599 G HA3 0.308 4.270 3.960 0.002 0.000 0.278 599 G C -0.534 174.251 174.900 -0.193 0.000 1.307 599 G CA -0.652 44.189 45.100 -0.432 0.000 1.016 599 G HN 0.571 nan 8.290 nan 0.000 0.503 600 K N -1.120 119.230 120.400 -0.085 0.000 2.090 600 K HA 0.504 4.826 4.320 0.002 0.000 0.250 600 K C 0.993 177.576 176.600 -0.028 0.000 1.004 600 K CA 0.284 56.542 56.287 -0.048 0.000 0.919 600 K CB 1.173 33.662 32.500 -0.019 0.000 1.045 600 K HN 0.921 nan 8.250 nan 0.000 0.471 601 G N 0.546 109.332 108.800 -0.024 0.000 2.199 601 G HA2 -0.233 3.728 3.960 0.002 0.000 0.254 601 G HA3 -0.233 3.728 3.960 0.002 0.000 0.254 601 G C -0.145 174.744 174.900 -0.019 0.000 0.982 601 G CA -0.378 44.714 45.100 -0.014 0.000 0.632 601 G HN 0.614 nan 8.290 nan 0.000 0.529 602 N N 1.650 120.332 118.700 -0.030 0.000 2.458 602 N HA 0.246 4.987 4.740 0.002 0.000 0.258 602 N C -0.589 174.884 175.510 -0.062 0.000 1.219 602 N CA 0.050 53.078 53.050 -0.036 0.000 0.902 602 N CB 1.363 39.826 38.487 -0.041 0.000 1.076 602 N HN 0.250 nan 8.380 nan 0.000 0.455 603 P HA 0.051 nan 4.420 nan 0.000 0.225 603 P C 0.083 177.279 177.300 -0.174 0.000 1.156 603 P CA 0.991 64.009 63.100 -0.137 0.000 0.787 603 P CB 0.803 32.390 31.700 -0.188 0.000 0.802 604 L N -1.020 120.104 121.223 -0.165 0.000 2.327 604 L HA 0.509 4.850 4.340 0.002 0.000 0.258 604 L C -2.629 174.187 176.870 -0.090 0.000 1.024 604 L CA -2.817 51.884 54.840 -0.233 0.000 0.825 604 L CB 1.901 43.737 42.059 -0.372 0.000 1.386 604 L HN -0.374 nan 8.230 nan 0.000 0.417 605 P HA 0.073 nan 4.420 nan 0.000 0.270 605 P C 0.220 177.624 177.300 0.173 0.000 1.223 605 P CA -0.093 63.078 63.100 0.117 0.000 0.785 605 P CB 0.720 32.548 31.700 0.212 0.000 0.923 606 A N 2.882 125.749 122.820 0.078 0.000 1.915 606 A HA -0.278 4.044 4.320 0.002 0.000 0.220 606 A C 1.874 179.466 177.584 0.013 0.000 1.198 606 A CA 2.167 54.223 52.037 0.031 0.000 0.647 606 A CB -1.241 17.762 19.000 0.005 0.000 0.825 606 A HN 0.729 nan 8.150 nan 0.000 0.456 607 E N -1.040 119.141 120.200 -0.030 0.000 2.265 607 E HA -0.221 4.130 4.350 0.002 0.000 0.196 607 E C 1.618 178.092 176.600 -0.209 0.000 0.996 607 E CA 1.526 57.815 56.400 -0.185 0.000 0.832 607 E CB -0.577 28.934 29.700 -0.315 0.000 0.756 607 E HN 0.772 nan 8.360 nan 0.000 0.491 608 Y N 0.171 120.419 120.300 -0.086 0.000 2.365 608 Y HA 0.076 4.627 4.550 0.002 0.000 0.293 608 Y C 2.482 178.346 175.900 -0.060 0.000 1.119 608 Y CA 0.768 58.823 58.100 -0.076 0.000 1.203 608 Y CB -0.018 38.398 38.460 -0.074 0.000 1.026 608 Y HN -0.041 nan 8.280 nan 0.000 0.549 609 M N -0.941 118.730 119.600 0.117 0.000 2.349 609 M HA -0.059 4.422 4.480 0.002 0.000 0.266 609 M C 2.021 178.353 176.300 0.053 0.000 1.076 609 M CA 0.860 56.199 55.300 0.065 0.000 1.126 609 M CB -0.897 31.729 32.600 0.044 0.000 1.392 609 M HN 0.354 nan 8.290 nan 0.000 0.440 610 L N 0.568 121.796 121.223 0.007 0.000 2.027 610 L HA -0.095 4.247 4.340 0.002 0.000 0.206 610 L C 2.073 178.951 176.870 0.014 0.000 1.074 610 L CA 1.669 56.487 54.840 -0.036 0.000 0.745 610 L CB -0.902 41.066 42.059 -0.152 0.000 0.898 610 L HN 0.130 nan 8.230 nan 0.000 0.433 611 L N -0.331 120.884 121.223 -0.013 0.000 2.083 611 L HA -0.202 4.139 4.340 0.002 0.000 0.209 611 L C 2.211 179.121 176.870 0.066 0.000 1.083 611 L CA 1.858 56.709 54.840 0.019 0.000 0.752 611 L CB -0.799 41.242 42.059 -0.030 0.000 0.899 611 L HN 0.355 nan 8.230 nan 0.000 0.433 612 D N -0.757 119.681 120.400 0.062 0.000 2.097 612 D HA -0.236 4.405 4.640 0.002 0.000 0.195 612 D C 2.203 178.558 176.300 0.091 0.000 0.989 612 D CA 1.033 55.068 54.000 0.057 0.000 0.827 612 D CB 0.116 40.936 40.800 0.033 0.000 0.966 612 D HN -0.010 nan 8.370 nan 0.000 0.456 613 K N 0.513 120.994 120.400 0.136 0.000 2.020 613 K HA -0.079 4.242 4.320 0.002 0.000 0.212 613 K C 1.824 178.587 176.600 0.273 0.000 1.050 613 K CA 1.821 58.234 56.287 0.210 0.000 0.929 613 K CB -0.798 31.894 32.500 0.321 0.000 0.714 613 K HN 0.102 nan 8.250 nan 0.000 0.443 614 A N 1.039 124.076 122.820 0.362 0.000 2.019 614 A HA -0.181 4.141 4.320 0.002 0.000 0.219 614 A C 2.116 179.824 177.584 0.207 0.000 1.164 614 A CA 1.770 54.039 52.037 0.387 0.000 0.644 614 A CB -0.833 18.438 19.000 0.451 0.000 0.805 614 A HN 0.609 nan 8.150 nan 0.000 0.449 615 N N 0.253 119.041 118.700 0.146 0.000 2.216 615 N HA -0.069 4.672 4.740 0.002 0.000 0.183 615 N C 1.622 177.185 175.510 0.088 0.000 1.017 615 N CA 1.225 54.333 53.050 0.096 0.000 0.861 615 N CB -0.175 38.346 38.487 0.057 0.000 0.986 615 N HN 0.511 nan 8.380 nan 0.000 0.428 616 L N 0.584 121.857 121.223 0.083 0.000 2.240 616 L HA 0.039 4.380 4.340 0.002 0.000 0.211 616 L C 1.993 178.932 176.870 0.116 0.000 1.106 616 L CA 0.320 55.196 54.840 0.059 0.000 0.793 616 L CB -0.086 41.981 42.059 0.013 0.000 0.927 616 L HN 0.133 nan 8.230 nan 0.000 0.446 617 L N 0.078 121.372 121.223 0.119 0.000 2.627 617 L HA -0.021 4.321 4.340 0.002 0.000 0.233 617 L C 1.151 178.074 176.870 0.089 0.000 1.144 617 L CA 0.537 55.436 54.840 0.098 0.000 0.892 617 L CB -0.684 41.355 42.059 -0.033 0.000 1.039 617 L HN 0.524 nan 8.230 nan 0.000 0.442 618 T N -2.851 111.778 114.554 0.127 0.000 4.146 618 T HA -0.262 4.090 4.350 0.002 0.000 0.336 618 T C 0.055 174.802 174.700 0.078 0.000 0.762 618 T CA 0.610 62.773 62.100 0.105 0.000 1.914 618 T CB -2.646 66.288 68.868 0.111 0.000 1.897 618 T HN 0.208 nan 8.240 nan 0.000 0.862 619 L N 1.483 122.765 121.223 0.098 0.000 2.399 619 L HA 0.643 4.984 4.340 0.002 0.000 0.266 619 L C 1.272 178.222 176.870 0.134 0.000 1.114 619 L CA -0.497 54.410 54.840 0.112 0.000 0.804 619 L CB 1.382 43.538 42.059 0.161 0.000 1.146 619 L HN 0.583 nan 8.230 nan 0.000 0.451 620 S N 0.807 116.586 115.700 0.133 0.000 2.672 620 S HA 0.453 4.924 4.470 0.002 0.000 0.276 620 S C 0.912 175.619 174.600 0.177 0.000 1.207 620 S CA -0.185 58.104 58.200 0.148 0.000 1.002 620 S CB 1.687 64.965 63.200 0.131 0.000 0.998 620 S HN 0.689 nan 8.310 nan 0.000 0.542 621 A N 1.341 124.271 122.820 0.183 0.000 1.902 621 A HA 0.096 4.417 4.320 0.002 0.000 0.217 621 A C -0.410 177.311 177.584 0.229 0.000 1.181 621 A CA 1.460 53.618 52.037 0.203 0.000 0.623 621 A CB -2.199 16.910 19.000 0.181 0.000 0.818 621 A HN 0.727 nan 8.150 nan 0.000 0.443 622 P HA -0.187 nan 4.420 nan 0.000 0.215 622 P C 1.161 178.562 177.300 0.168 0.000 1.157 622 P CA 1.725 64.958 63.100 0.223 0.000 0.874 622 P CB -0.121 31.697 31.700 0.197 0.000 0.790 623 E N -1.169 119.120 120.200 0.148 0.000 2.077 623 E HA -0.178 4.173 4.350 0.002 0.000 0.193 623 E C 2.040 178.756 176.600 0.192 0.000 0.989 623 E CA 0.971 57.442 56.400 0.118 0.000 0.800 623 E CB -0.530 29.227 29.700 0.095 0.000 0.746 623 E HN 0.200 nan 8.360 nan 0.000 0.452 624 M N 0.635 120.406 119.600 0.286 0.000 2.080 624 M HA -0.204 4.278 4.480 0.002 0.000 0.260 624 M C 2.011 178.503 176.300 0.320 0.000 1.068 624 M CA 1.781 57.346 55.300 0.443 0.000 1.109 624 M CB -0.183 32.656 32.600 0.399 0.000 1.342 624 M HN 0.024 nan 8.290 nan 0.000 0.405 625 T N -0.063 114.638 114.554 0.246 0.000 2.674 625 T HA -0.172 4.179 4.350 0.002 0.000 0.265 625 T C 1.700 176.437 174.700 0.062 0.000 1.039 625 T CA 1.799 63.962 62.100 0.105 0.000 1.150 625 T CB -0.665 68.362 68.868 0.265 0.000 0.864 625 T HN 0.395 nan 8.240 nan 0.000 0.427 626 V N 0.995 120.917 119.914 0.013 0.000 2.515 626 V HA -0.039 4.082 4.120 0.002 0.000 0.250 626 V C 2.209 178.518 176.094 0.358 0.000 1.058 626 V CA 1.171 63.508 62.300 0.062 0.000 1.064 626 V CB -0.431 31.163 31.823 -0.382 0.000 0.675 626 V HN 0.280 nan 8.190 nan 0.000 0.461 627 L N -0.452 120.916 121.223 0.242 0.000 2.056 627 L HA -0.038 4.304 4.340 0.002 0.000 0.207 627 L C 2.470 179.461 176.870 0.201 0.000 1.078 627 L CA 1.994 57.006 54.840 0.286 0.000 0.749 627 L CB -0.862 41.324 42.059 0.212 0.000 0.901 627 L HN 0.212 nan 8.230 nan 0.000 0.433 628 V N -0.295 119.617 119.914 -0.004 0.000 2.223 628 V HA -0.232 3.889 4.120 0.002 0.000 0.244 628 V C 2.572 178.222 176.094 -0.740 0.000 1.045 628 V CA 1.948 64.015 62.300 -0.389 0.000 1.000 628 V CB -1.612 29.804 31.823 -0.679 0.000 0.635 628 V HN 0.543 nan 8.190 nan 0.000 0.445 629 G N -0.263 107.844 108.800 -1.154 0.000 2.475 629 G HA2 -0.191 3.770 3.960 0.002 0.000 0.220 629 G HA3 -0.191 3.770 3.960 0.002 0.000 0.220 629 G C 1.568 176.080 174.900 -0.648 0.000 1.125 629 G CA 1.130 45.251 45.100 -1.632 0.000 0.755 629 G HN 0.635 nan 8.290 nan 0.000 0.565 630 G N 0.770 109.498 108.800 -0.121 0.000 2.404 630 G HA2 -0.113 3.848 3.960 0.002 0.000 0.215 630 G HA3 -0.113 3.848 3.960 0.002 0.000 0.215 630 G C 1.739 176.456 174.900 -0.306 0.000 1.174 630 G CA 0.620 45.605 45.100 -0.193 0.000 0.780 630 G HN 0.421 nan 8.290 nan 0.000 0.537 631 L N -0.250 120.908 121.223 -0.108 0.000 2.291 631 L HA 0.067 4.408 4.340 0.002 0.000 0.214 631 L C 3.121 179.862 176.870 -0.215 0.000 1.120 631 L CA 0.162 54.924 54.840 -0.129 0.000 0.799 631 L CB -0.241 41.719 42.059 -0.165 0.000 0.925 631 L HN 0.052 nan 8.230 nan 0.000 0.446 632 R N 0.301 120.598 120.500 -0.337 0.000 2.070 632 R HA -0.120 4.222 4.340 0.002 0.000 0.232 632 R C 2.290 178.456 176.300 -0.224 0.000 1.138 632 R CA 1.834 57.734 56.100 -0.333 0.000 0.936 632 R CB -1.036 28.936 30.300 -0.547 0.000 0.839 632 R HN 0.396 nan 8.270 nan 0.000 0.429 633 V N -1.111 118.661 119.914 -0.237 0.000 2.809 633 V HA -0.057 4.064 4.120 0.002 0.000 0.256 633 V C 2.161 178.179 176.094 -0.127 0.000 1.080 633 V CA 1.328 63.534 62.300 -0.156 0.000 1.102 633 V CB -0.669 31.058 31.823 -0.160 0.000 0.705 633 V HN 0.108 nan 8.190 nan 0.000 0.475 634 L N 1.151 122.281 121.223 -0.156 0.000 2.478 634 L HA 0.383 4.724 4.340 0.002 0.000 0.223 634 L C 1.959 178.784 176.870 -0.074 0.000 1.140 634 L CA 0.960 55.723 54.840 -0.129 0.000 0.842 634 L CB -0.482 41.477 42.059 -0.167 0.000 0.953 634 L HN 0.645 nan 8.230 nan 0.000 0.452 635 G N -0.754 108.008 108.800 -0.063 0.000 2.144 635 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 635 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 635 G C 0.805 175.703 174.900 -0.003 0.000 0.988 635 G CA 0.167 45.252 45.100 -0.025 0.000 0.659 635 G HN 0.362 nan 8.290 nan 0.000 0.522 636 A N -0.381 122.428 122.820 -0.017 0.000 2.235 636 A HA 0.322 4.643 4.320 0.002 0.000 0.208 636 A C 1.099 178.710 177.584 0.045 0.000 1.172 636 A CA 0.770 52.818 52.037 0.017 0.000 0.786 636 A CB -0.198 18.785 19.000 -0.029 0.000 0.804 636 A HN 0.452 nan 8.150 nan 0.000 0.479 637 N N 0.140 118.860 118.700 0.034 0.000 2.454 637 N HA 0.091 4.832 4.740 0.002 0.000 0.260 637 N C -0.285 175.318 175.510 0.155 0.000 1.218 637 N CA 0.070 53.172 53.050 0.087 0.000 0.904 637 N CB -0.125 38.393 38.487 0.053 0.000 1.065 637 N HN 0.415 nan 8.380 nan 0.000 0.462 638 Y N 2.880 123.243 120.300 0.105 0.000 2.810 638 Y HA -0.171 4.381 4.550 0.002 0.000 0.332 638 Y C 0.965 176.935 175.900 0.117 0.000 1.243 638 Y CA 0.498 58.680 58.100 0.137 0.000 1.537 638 Y CB 0.198 38.793 38.460 0.224 0.000 1.265 638 Y HN 0.701 nan 8.280 nan 0.000 0.572 639 K N 3.726 123.880 120.400 -0.410 0.000 3.048 639 K HA -0.360 3.962 4.320 0.002 0.000 0.274 639 K C 0.284 176.817 176.600 -0.111 0.000 1.098 639 K CA 1.170 57.260 56.287 -0.329 0.000 0.807 639 K CB -0.820 31.389 32.500 -0.484 0.000 1.217 639 K HN 0.927 nan 8.250 nan 0.000 0.477 640 R N -0.938 119.540 120.500 -0.037 0.000 3.502 640 R HA -0.202 4.139 4.340 0.002 0.000 0.266 640 R C 0.015 176.327 176.300 0.020 0.000 1.077 640 R CA 1.025 57.128 56.100 0.005 0.000 0.718 640 R CB -1.629 28.673 30.300 0.004 0.000 1.120 640 R HN 0.327 nan 8.270 nan 0.000 0.457 641 L N 0.809 122.053 121.223 0.035 0.000 2.467 641 L HA 0.106 4.447 4.340 0.002 0.000 0.270 641 L C -0.688 176.226 176.870 0.073 0.000 1.205 641 L CA -1.345 53.531 54.840 0.061 0.000 0.828 641 L CB 0.235 42.347 42.059 0.089 0.000 1.101 641 L HN -0.005 nan 8.230 nan 0.000 0.479 642 P HA 0.069 nan 4.420 nan 0.000 0.249 642 P C 0.017 177.409 177.300 0.153 0.000 1.229 642 P CA 0.166 63.344 63.100 0.131 0.000 0.788 642 P CB 0.144 31.941 31.700 0.162 0.000 1.072 643 L N 0.463 121.763 121.223 0.128 0.000 2.562 643 L HA 0.228 4.570 4.340 0.002 0.000 0.271 643 L C 1.712 178.559 176.870 -0.039 0.000 1.167 643 L CA 0.913 55.828 54.840 0.125 0.000 0.917 643 L CB -0.941 41.192 42.059 0.123 0.000 1.187 643 L HN 0.209 nan 8.230 nan 0.000 0.482 644 G N 2.338 111.000 108.800 -0.230 0.000 2.205 644 G HA2 -0.273 3.688 3.960 0.002 0.000 0.261 644 G HA3 -0.273 3.688 3.960 0.002 0.000 0.261 644 G C 0.332 174.748 174.900 -0.806 0.000 0.980 644 G CA 0.080 44.665 45.100 -0.858 0.000 0.632 644 G HN 0.435 nan 8.290 nan 0.000 0.533 645 V N 2.302 122.027 119.914 -0.314 0.000 2.054 645 V HA 0.288 4.410 4.120 0.002 0.000 0.243 645 V C 0.425 176.524 176.094 0.008 0.000 1.480 645 V CA -0.061 62.165 62.300 -0.123 0.000 1.440 645 V CB -1.033 30.801 31.823 0.018 0.000 1.489 645 V HN 0.247 nan 8.190 nan 0.000 0.502 646 F N 2.014 121.833 119.950 -0.218 0.000 2.640 646 F HA 0.479 5.007 4.527 0.002 0.000 0.354 646 F C 0.845 176.355 175.800 -0.483 0.000 1.213 646 F CA -0.181 57.337 58.000 -0.804 0.000 1.314 646 F CB -0.115 38.222 39.000 -1.106 0.000 1.679 646 F HN 0.335 nan 8.300 nan 0.000 0.622 647 T N -0.707 113.898 114.554 0.085 0.000 2.868 647 T HA 0.341 4.692 4.350 0.002 0.000 0.306 647 T C 0.528 175.399 174.700 0.286 0.000 1.224 647 T CA -0.249 61.944 62.100 0.155 0.000 1.012 647 T CB 1.890 70.787 68.868 0.048 0.000 1.221 647 T HN 0.235 nan 8.240 nan 0.000 0.499 648 E N 1.147 121.473 120.200 0.210 0.000 2.364 648 E HA 0.491 4.842 4.350 0.002 0.000 0.196 648 E C 0.284 176.942 176.600 0.098 0.000 0.990 648 E CA 0.344 56.841 56.400 0.162 0.000 0.886 648 E CB 0.592 30.370 29.700 0.130 0.000 0.866 648 E HN 0.630 nan 8.360 nan 0.000 0.493 649 A N 0.362 123.228 122.820 0.078 0.000 2.709 649 A HA 0.484 4.805 4.320 0.002 0.000 0.332 649 A C -0.209 177.393 177.584 0.031 0.000 1.241 649 A CA -0.442 51.624 52.037 0.047 0.000 0.782 649 A CB 0.733 19.756 19.000 0.038 0.000 1.109 649 A HN 0.037 nan 8.150 nan 0.000 0.472 650 S N 0.783 116.501 115.700 0.031 0.000 2.600 650 S HA 0.326 4.797 4.470 0.002 0.000 0.265 650 S C 0.851 175.447 174.600 -0.005 0.000 1.325 650 S CA 0.459 58.665 58.200 0.010 0.000 1.002 650 S CB 0.122 63.334 63.200 0.019 0.000 0.921 650 S HN 0.792 nan 8.310 nan 0.000 0.554 651 E N -0.642 119.543 120.200 -0.025 0.000 3.286 651 E HA -0.175 4.176 4.350 0.002 0.000 0.292 651 E C -0.589 175.988 176.600 -0.038 0.000 0.928 651 E CA 0.804 57.184 56.400 -0.035 0.000 0.982 651 E CB -1.523 28.166 29.700 -0.020 0.000 1.500 651 E HN 0.387 nan 8.360 nan 0.000 0.441 652 S N 0.435 116.113 115.700 -0.036 0.000 2.473 652 S HA 0.530 5.002 4.470 0.002 0.000 0.307 652 S C -0.713 173.858 174.600 -0.049 0.000 1.094 652 S CA -0.885 57.299 58.200 -0.027 0.000 1.070 652 S CB 1.469 64.670 63.200 0.001 0.000 1.019 652 S HN 0.228 nan 8.310 nan 0.000 0.480 653 L N 6.162 127.356 121.223 -0.049 0.000 2.295 653 L HA 0.583 4.925 4.340 0.002 0.000 0.288 653 L C 0.129 177.022 176.870 0.037 0.000 1.079 653 L CA 0.598 55.402 54.840 -0.060 0.000 0.830 653 L CB 0.289 42.266 42.059 -0.137 0.000 1.200 653 L HN 0.902 nan 8.230 nan 0.000 0.438 654 T N 0.237 114.792 114.554 0.002 0.000 2.865 654 T HA 0.336 4.687 4.350 0.002 0.000 0.294 654 T C 0.549 175.014 174.700 -0.392 0.000 1.119 654 T CA -0.328 61.739 62.100 -0.054 0.000 1.007 654 T CB 1.014 69.861 68.868 -0.036 0.000 1.225 654 T HN 0.635 nan 8.240 nan 0.000 0.515 655 N N -0.259 118.186 118.700 -0.424 0.000 2.434 655 N HA -0.006 4.735 4.740 0.002 0.000 0.196 655 N C 0.149 175.605 175.510 -0.090 0.000 1.183 655 N CA -0.279 52.511 53.050 -0.432 0.000 0.849 655 N CB -0.135 38.221 38.487 -0.219 0.000 0.992 655 N HN 0.441 nan 8.380 nan 0.000 0.460 656 D N 1.579 121.905 120.400 -0.123 0.000 2.154 656 D HA -0.260 4.381 4.640 0.002 0.000 0.190 656 D C 1.175 177.410 176.300 -0.108 0.000 1.003 656 D CA 1.170 55.127 54.000 -0.072 0.000 0.849 656 D CB -0.422 40.347 40.800 -0.053 0.000 0.942 656 D HN 0.428 nan 8.370 nan 0.000 0.446 657 F N 0.064 119.782 119.950 -0.386 0.000 2.115 657 F HA -0.288 4.240 4.527 0.002 0.000 0.300 657 F C 1.965 177.511 175.800 -0.423 0.000 1.092 657 F CA 1.565 59.272 58.000 -0.487 0.000 1.245 657 F CB -0.375 38.115 39.000 -0.850 0.000 0.995 657 F HN -0.050 nan 8.300 nan 0.000 0.481 658 F N -0.719 119.237 119.950 0.010 0.000 2.187 658 F HA -0.103 4.426 4.527 0.002 0.000 0.295 658 F C 2.277 178.026 175.800 -0.085 0.000 1.091 658 F CA 1.043 59.027 58.000 -0.027 0.000 1.308 658 F CB -1.103 37.922 39.000 0.042 0.000 1.030 658 F HN -0.235 nan 8.300 nan 0.000 0.487 659 V N 0.620 120.594 119.914 0.100 0.000 2.255 659 V HA -0.312 3.809 4.120 0.002 0.000 0.247 659 V C 2.089 178.156 176.094 -0.044 0.000 1.051 659 V CA 2.096 64.415 62.300 0.032 0.000 1.018 659 V CB -0.644 31.196 31.823 0.028 0.000 0.641 659 V HN 0.362 nan 8.190 nan 0.000 0.445 660 N N -0.185 118.433 118.700 -0.138 0.000 2.309 660 N HA -0.082 4.659 4.740 0.002 0.000 0.182 660 N C 1.581 176.889 175.510 -0.336 0.000 1.018 660 N CA 0.897 53.796 53.050 -0.250 0.000 0.876 660 N CB -0.294 37.897 38.487 -0.493 0.000 0.972 660 N HN 0.352 nan 8.380 nan 0.000 0.434 661 L N 0.620 121.633 121.223 -0.350 0.000 2.376 661 L HA 0.067 4.408 4.340 0.002 0.000 0.219 661 L C 1.383 178.188 176.870 -0.107 0.000 1.133 661 L CA 1.031 55.695 54.840 -0.293 0.000 0.816 661 L CB -0.031 41.774 42.059 -0.423 0.000 0.933 661 L HN 0.075 nan 8.230 nan 0.000 0.449 662 L N -1.521 119.663 121.223 -0.066 0.000 2.693 662 L HA 0.222 4.563 4.340 0.002 0.000 0.235 662 L C 0.151 177.021 176.870 -0.000 0.000 1.127 662 L CA -0.334 54.499 54.840 -0.010 0.000 0.914 662 L CB -0.189 41.878 42.059 0.013 0.000 1.193 662 L HN 0.020 nan 8.230 nan 0.000 0.502 663 D N 0.907 121.303 120.400 -0.008 0.000 2.382 663 D HA 0.011 4.653 4.640 0.002 0.000 0.259 663 D C 1.065 177.374 176.300 0.015 0.000 1.224 663 D CA 0.266 54.271 54.000 0.008 0.000 0.894 663 D CB 0.863 41.677 40.800 0.023 0.000 1.127 663 D HN -0.057 nan 8.370 nan 0.000 0.487 664 M N 2.989 122.593 119.600 0.007 0.000 2.595 664 M HA 0.109 4.591 4.480 0.002 0.000 0.248 664 M C 1.843 178.132 176.300 -0.018 0.000 1.119 664 M CA 0.237 55.539 55.300 0.004 0.000 1.079 664 M CB -0.289 32.313 32.600 0.003 0.000 1.472 664 M HN 0.533 nan 8.290 nan 0.000 0.501 665 G N 0.384 109.169 108.800 -0.026 0.000 2.534 665 G HA2 -0.020 3.942 3.960 0.002 0.000 0.217 665 G HA3 -0.020 3.942 3.960 0.002 0.000 0.217 665 G C 0.789 175.636 174.900 -0.089 0.000 1.128 665 G CA 0.114 45.184 45.100 -0.049 0.000 0.784 665 G HN 0.260 nan 8.290 nan 0.000 0.542 666 I N 1.990 122.500 120.570 -0.101 0.000 2.315 666 I HA 0.248 4.419 4.170 0.002 0.000 0.291 666 I C -0.271 175.691 176.117 -0.260 0.000 1.006 666 I CA -0.222 60.943 61.300 -0.225 0.000 1.265 666 I CB 0.907 38.766 38.000 -0.234 0.000 1.387 666 I HN -0.213 nan 8.210 nan 0.000 0.475 667 T N 5.889 120.263 114.554 -0.301 0.000 2.767 667 T HA 0.364 4.715 4.350 0.002 0.000 0.284 667 T C -0.625 173.912 174.700 -0.271 0.000 0.973 667 T CA -0.362 61.625 62.100 -0.189 0.000 0.996 667 T CB 0.543 69.352 68.868 -0.100 0.000 0.927 667 T HN 0.319 nan 8.240 nan 0.000 0.456 668 W N 2.705 124.008 121.300 0.006 0.000 2.433 668 W HA 0.507 5.169 4.660 0.002 0.000 0.315 668 W C 0.341 176.910 176.519 0.083 0.000 1.087 668 W CA -0.716 56.651 57.345 0.038 0.000 1.205 668 W CB 0.906 30.352 29.460 -0.024 0.000 1.288 668 W HN 0.666 nan 8.180 nan 0.000 0.504 669 E N 3.263 123.702 120.200 0.399 0.000 2.356 669 E HA 0.487 4.839 4.350 0.002 0.000 0.275 669 E C -2.757 174.079 176.600 0.393 0.000 0.904 669 E CA -2.617 53.969 56.400 0.310 0.000 0.757 669 E CB 1.819 31.613 29.700 0.157 0.000 1.232 669 E HN -0.033 nan 8.360 nan 0.000 0.442 670 P HA -0.046 nan 4.420 nan 0.000 0.269 670 P C -0.270 177.023 177.300 -0.012 0.000 1.209 670 P CA -0.280 62.810 63.100 -0.017 0.000 0.776 670 P CB 1.100 32.749 31.700 -0.084 0.000 0.876 671 S N 2.528 118.176 115.700 -0.087 0.000 2.549 671 S HA 0.157 4.629 4.470 0.002 0.000 0.279 671 S C -1.263 173.323 174.600 -0.023 0.000 1.321 671 S CA -1.175 57.016 58.200 -0.016 0.000 1.054 671 S CB -0.372 62.820 63.200 -0.013 0.000 0.899 671 S HN 0.251 nan 8.310 nan 0.000 0.497 672 P HA -0.017 nan 4.420 nan 0.000 0.218 672 P C -0.209 177.087 177.300 -0.008 0.000 1.146 672 P CA 0.927 64.026 63.100 -0.001 0.000 0.813 672 P CB 0.083 31.786 31.700 0.005 0.000 0.778 673 A N 0.859 123.674 122.820 -0.008 0.000 2.880 673 A HA 0.197 4.518 4.320 0.002 0.000 0.328 673 A C -0.330 177.241 177.584 -0.021 0.000 1.440 673 A CA -0.609 51.423 52.037 -0.009 0.000 1.068 673 A CB -0.767 18.234 19.000 0.002 0.000 1.163 673 A HN 0.021 nan 8.150 nan 0.000 0.510 674 D N 1.981 122.363 120.400 -0.030 0.000 2.542 674 D HA 0.019 4.661 4.640 0.002 0.000 0.242 674 D C -0.395 175.868 176.300 -0.062 0.000 1.207 674 D CA -0.187 53.779 54.000 -0.057 0.000 1.172 674 D CB 0.198 40.967 40.800 -0.053 0.000 1.126 674 D HN 0.484 nan 8.370 nan 0.000 0.500 675 D N 0.063 120.425 120.400 -0.065 0.000 2.388 675 D HA 0.210 4.851 4.640 0.002 0.000 0.221 675 D C 1.595 177.866 176.300 -0.050 0.000 1.133 675 D CA -0.263 53.715 54.000 -0.037 0.000 0.831 675 D CB 0.010 40.804 40.800 -0.009 0.000 0.962 675 D HN 0.473 nan 8.370 nan 0.000 0.502 676 G N 0.531 109.270 108.800 -0.102 0.000 2.176 676 G HA2 -0.277 3.685 3.960 0.002 0.000 0.253 676 G HA3 -0.277 3.685 3.960 0.002 0.000 0.253 676 G C 0.533 175.342 174.900 -0.151 0.000 0.979 676 G CA 0.545 45.580 45.100 -0.109 0.000 0.641 676 G HN 0.733 nan 8.290 nan 0.000 0.530 677 T N -1.943 112.511 114.554 -0.166 0.000 2.912 677 T HA 0.764 5.115 4.350 0.002 0.000 0.280 677 T C -0.342 174.217 174.700 -0.235 0.000 0.989 677 T CA -0.676 61.394 62.100 -0.051 0.000 0.995 677 T CB 2.293 71.198 68.868 0.061 0.000 1.077 677 T HN 0.435 nan 8.240 nan 0.000 0.531 678 Y N -0.724 119.697 120.300 0.203 0.000 2.576 678 Y HA 0.532 5.083 4.550 0.002 0.000 0.346 678 Y C 0.089 176.248 175.900 0.431 0.000 1.018 678 Y CA -1.146 57.136 58.100 0.304 0.000 1.050 678 Y CB 2.412 41.062 38.460 0.318 0.000 1.280 678 Y HN 0.630 nan 8.280 nan 0.000 0.474 679 Q N 0.525 120.649 119.800 0.539 0.000 2.340 679 Q HA 0.579 4.921 4.340 0.002 0.000 0.268 679 Q C -0.514 175.452 176.000 -0.057 0.000 1.031 679 Q CA -0.918 55.048 55.803 0.272 0.000 0.804 679 Q CB 2.294 31.098 28.738 0.110 0.000 1.286 679 Q HN 0.913 nan 8.270 nan 0.000 0.448 680 G N 2.787 111.210 108.800 -0.628 0.000 2.504 680 G HA2 0.318 4.280 3.960 0.002 0.000 0.326 680 G HA3 0.318 4.280 3.960 0.002 0.000 0.326 680 G C -0.470 174.043 174.900 -0.644 0.000 1.073 680 G CA -0.432 43.882 45.100 -1.311 0.000 1.030 680 G HN 0.344 nan 8.290 nan 0.000 0.448 681 K N 1.947 122.072 120.400 -0.458 0.000 2.144 681 K HA 0.273 4.595 4.320 0.002 0.000 0.270 681 K C -0.014 176.409 176.600 -0.295 0.000 1.005 681 K CA -0.761 55.341 56.287 -0.309 0.000 0.932 681 K CB 1.469 33.852 32.500 -0.195 0.000 1.021 681 K HN 0.685 nan 8.250 nan 0.000 0.462 682 D N 0.495 120.742 120.400 -0.256 0.000 2.478 682 D HA 0.041 4.682 4.640 0.002 0.000 0.274 682 D C 1.139 177.352 176.300 -0.144 0.000 1.234 682 D CA -0.499 53.379 54.000 -0.204 0.000 1.069 682 D CB 0.046 40.721 40.800 -0.209 0.000 1.113 682 D HN 0.527 nan 8.370 nan 0.000 0.571 683 G N -0.855 107.877 108.800 -0.113 0.000 2.450 683 G HA2 -0.269 3.693 3.960 0.002 0.000 0.220 683 G HA3 -0.269 3.693 3.960 0.002 0.000 0.220 683 G C 1.472 176.325 174.900 -0.078 0.000 1.130 683 G CA 1.515 46.565 45.100 -0.084 0.000 0.760 683 G HN 0.581 nan 8.290 nan 0.000 0.557 684 S N -0.662 114.985 115.700 -0.088 0.000 2.481 684 S HA 0.319 4.790 4.470 0.002 0.000 0.231 684 S C 1.909 176.463 174.600 -0.078 0.000 0.996 684 S CA 1.102 59.256 58.200 -0.077 0.000 0.942 684 S CB -0.123 63.028 63.200 -0.081 0.000 0.768 684 S HN 1.590 nan 8.310 nan 0.000 0.520 685 G N 0.230 108.974 108.800 -0.094 0.000 2.159 685 G HA2 -0.231 3.731 3.960 0.002 0.000 0.227 685 G HA3 -0.231 3.731 3.960 0.002 0.000 0.227 685 G C -0.074 174.768 174.900 -0.096 0.000 0.986 685 G CA 0.087 45.134 45.100 -0.088 0.000 0.651 685 G HN 0.646 nan 8.290 nan 0.000 0.523 686 K N 0.557 120.886 120.400 -0.117 0.000 2.174 686 K HA 0.606 4.928 4.320 0.002 0.000 0.275 686 K C 0.738 177.234 176.600 -0.173 0.000 1.015 686 K CA -0.459 55.752 56.287 -0.128 0.000 0.933 686 K CB 1.307 33.729 32.500 -0.131 0.000 1.025 686 K HN 0.088 nan 8.250 nan 0.000 0.463 687 V N 5.014 124.835 119.914 -0.155 0.000 2.479 687 V HA 0.018 4.139 4.120 0.002 0.000 0.281 687 V C 1.017 176.951 176.094 -0.266 0.000 1.031 687 V CA 0.235 62.424 62.300 -0.186 0.000 1.038 687 V CB 0.946 32.711 31.823 -0.096 0.000 0.981 687 V HN 0.763 nan 8.190 nan 0.000 0.478 688 K N 4.683 124.820 120.400 -0.438 0.000 2.287 688 K HA 0.170 4.491 4.320 0.002 0.000 0.199 688 K C -0.235 175.897 176.600 -0.779 0.000 1.061 688 K CA 0.482 56.321 56.287 -0.747 0.000 0.976 688 K CB 0.399 32.264 32.500 -1.058 0.000 0.898 688 K HN 0.624 nan 8.250 nan 0.000 0.492 689 W N 0.174 121.380 121.300 -0.156 0.000 2.962 689 W HA 0.460 5.121 4.660 0.002 0.000 0.341 689 W C -0.806 175.813 176.519 0.167 0.000 1.155 689 W CA -1.114 56.243 57.345 0.021 0.000 1.165 689 W CB 1.615 31.003 29.460 -0.119 0.000 1.435 689 W HN -0.192 nan 8.180 nan 0.000 0.546 690 T N -0.298 114.682 114.554 0.710 0.000 2.907 690 T HA 0.915 5.267 4.350 0.002 0.000 0.292 690 T C -0.414 174.733 174.700 0.745 0.000 1.043 690 T CA -0.829 61.657 62.100 0.644 0.000 1.003 690 T CB 1.977 71.072 68.868 0.379 0.000 1.084 690 T HN 0.821 nan 8.240 nan 0.000 0.483 691 G N 0.383 109.553 108.800 0.616 0.000 2.692 691 G HA2 0.647 4.608 3.960 0.002 0.000 0.291 691 G HA3 0.647 4.608 3.960 0.002 0.000 0.291 691 G C -0.757 174.329 174.900 0.310 0.000 1.423 691 G CA -0.591 44.728 45.100 0.365 0.000 0.843 691 G HN 1.064 nan 8.290 nan 0.000 0.486 692 S N -0.526 115.288 115.700 0.189 0.000 2.768 692 S HA 0.477 4.948 4.470 0.002 0.000 0.300 692 S C 1.288 176.002 174.600 0.190 0.000 1.122 692 S CA -0.778 57.554 58.200 0.219 0.000 0.995 692 S CB 1.813 65.082 63.200 0.116 0.000 1.195 692 S HN 0.623 nan 8.310 nan 0.000 0.547 693 R N -0.331 120.296 120.500 0.211 0.000 2.091 693 R HA -0.070 4.271 4.340 0.002 0.000 0.238 693 R C 2.083 178.355 176.300 -0.046 0.000 1.136 693 R CA 1.460 57.614 56.100 0.091 0.000 0.959 693 R CB -1.117 29.241 30.300 0.098 0.000 0.856 693 R HN 0.480 nan 8.270 nan 0.000 0.437 694 V N 1.759 121.664 119.914 -0.015 0.000 2.392 694 V HA -0.248 3.874 4.120 0.002 0.000 0.249 694 V C 1.711 177.844 176.094 0.065 0.000 1.059 694 V CA 1.893 64.176 62.300 -0.029 0.000 1.051 694 V CB -0.395 31.420 31.823 -0.013 0.000 0.658 694 V HN 0.330 nan 8.190 nan 0.000 0.455 695 D N -0.152 120.286 120.400 0.063 0.000 2.103 695 D HA -0.052 4.590 4.640 0.002 0.000 0.199 695 D C 2.097 178.435 176.300 0.062 0.000 0.978 695 D CA 1.094 55.182 54.000 0.146 0.000 0.829 695 D CB 0.008 40.809 40.800 0.001 0.000 0.981 695 D HN 0.347 nan 8.370 nan 0.000 0.464 696 L N 0.910 122.008 121.223 -0.208 0.000 2.313 696 L HA -0.019 4.323 4.340 0.002 0.000 0.214 696 L C 2.540 179.237 176.870 -0.288 0.000 1.119 696 L CA 0.110 54.700 54.840 -0.417 0.000 0.809 696 L CB -0.171 41.418 42.059 -0.784 0.000 0.933 696 L HN -0.096 nan 8.230 nan 0.000 0.449 697 V N 0.233 119.997 119.914 -0.250 0.000 2.392 697 V HA -0.309 3.813 4.120 0.002 0.000 0.249 697 V C 2.263 178.167 176.094 -0.316 0.000 1.059 697 V CA 1.965 64.069 62.300 -0.326 0.000 1.051 697 V CB -0.359 31.210 31.823 -0.424 0.000 0.658 697 V HN 0.273 nan 8.190 nan 0.000 0.455 698 F N 0.761 120.659 119.950 -0.086 0.000 2.293 698 F HA 0.041 4.569 4.527 0.002 0.000 0.300 698 F C 2.239 178.011 175.800 -0.047 0.000 1.086 698 F CA 1.314 59.310 58.000 -0.007 0.000 1.375 698 F CB -0.619 38.462 39.000 0.135 0.000 1.045 698 F HN 0.303 nan 8.300 nan 0.000 0.516 699 G N -2.222 106.585 108.800 0.013 0.000 2.939 699 G HA2 -0.018 3.943 3.960 0.002 0.000 0.210 699 G HA3 -0.018 3.943 3.960 0.002 0.000 0.210 699 G C 1.499 176.337 174.900 -0.103 0.000 1.160 699 G CA 0.756 45.817 45.100 -0.066 0.000 0.770 699 G HN 0.335 nan 8.290 nan 0.000 0.543 700 S N -0.167 115.449 115.700 -0.139 0.000 2.620 700 S HA 0.095 4.566 4.470 0.002 0.000 0.234 700 S C 0.945 175.457 174.600 -0.146 0.000 1.064 700 S CA -0.334 57.772 58.200 -0.158 0.000 0.920 700 S CB -0.266 62.810 63.200 -0.208 0.000 0.826 700 S HN 0.385 nan 8.310 nan 0.000 0.557 701 N N 0.982 119.584 118.700 -0.164 0.000 2.492 701 N HA 0.068 4.809 4.740 0.002 0.000 0.262 701 N C 1.113 176.556 175.510 -0.111 0.000 1.202 701 N CA 0.604 53.555 53.050 -0.165 0.000 0.926 701 N CB 1.150 39.513 38.487 -0.206 0.000 1.078 701 N HN 0.312 nan 8.380 nan 0.000 0.454 702 S N 2.346 117.976 115.700 -0.117 0.000 2.423 702 S HA -0.129 4.342 4.470 0.002 0.000 0.231 702 S C 1.127 175.701 174.600 -0.042 0.000 1.014 702 S CA 0.947 59.096 58.200 -0.085 0.000 0.965 702 S CB -0.247 62.885 63.200 -0.113 0.000 0.785 702 S HN 0.740 nan 8.310 nan 0.000 0.495 703 E N 1.165 121.343 120.200 -0.036 0.000 2.102 703 E HA 0.208 4.559 4.350 0.002 0.000 0.190 703 E C 1.996 178.623 176.600 0.044 0.000 0.971 703 E CA 0.531 56.934 56.400 0.005 0.000 0.821 703 E CB -0.231 29.476 29.700 0.012 0.000 0.777 703 E HN 0.414 nan 8.360 nan 0.000 0.460 704 L N 0.692 121.932 121.223 0.028 0.000 2.093 704 L HA -0.112 4.229 4.340 0.002 0.000 0.208 704 L C 2.648 179.632 176.870 0.190 0.000 1.085 704 L CA 0.939 55.849 54.840 0.117 0.000 0.755 704 L CB -0.286 41.753 42.059 -0.032 0.000 0.904 704 L HN 0.057 nan 8.230 nan 0.000 0.435 705 R N 0.298 120.857 120.500 0.098 0.000 2.120 705 R HA -0.158 4.183 4.340 0.002 0.000 0.234 705 R C 2.360 178.718 176.300 0.097 0.000 1.123 705 R CA 1.230 57.390 56.100 0.100 0.000 0.975 705 R CB -0.167 30.151 30.300 0.030 0.000 0.866 705 R HN 0.350 nan 8.270 nan 0.000 0.446 706 A N 0.917 123.779 122.820 0.071 0.000 1.908 706 A HA -0.154 4.168 4.320 0.002 0.000 0.218 706 A C 2.112 179.735 177.584 0.066 0.000 1.181 706 A CA 1.238 53.304 52.037 0.049 0.000 0.627 706 A CB -0.484 18.536 19.000 0.033 0.000 0.818 706 A HN 0.311 nan 8.150 nan 0.000 0.445 707 L N -0.458 120.843 121.223 0.130 0.000 2.027 707 L HA -0.123 4.218 4.340 0.002 0.000 0.206 707 L C 2.639 179.639 176.870 0.218 0.000 1.074 707 L CA 1.392 56.339 54.840 0.179 0.000 0.745 707 L CB -0.668 41.558 42.059 0.278 0.000 0.898 707 L HN 0.399 nan 8.230 nan 0.000 0.433 708 V N -1.128 118.958 119.914 0.287 0.000 2.759 708 V HA -0.200 3.921 4.120 0.002 0.000 0.256 708 V C 1.970 178.173 176.094 0.182 0.000 1.080 708 V CA 1.642 64.152 62.300 0.351 0.000 1.101 708 V CB -0.359 31.795 31.823 0.552 0.000 0.698 708 V HN 0.475 nan 8.190 nan 0.000 0.477 709 E N -0.105 120.153 120.200 0.096 0.000 2.338 709 E HA -0.082 4.269 4.350 0.002 0.000 0.197 709 E C 2.131 178.701 176.600 -0.049 0.000 1.007 709 E CA 1.220 57.636 56.400 0.028 0.000 0.849 709 E CB 0.069 29.779 29.700 0.017 0.000 0.774 709 E HN 0.641 nan 8.360 nan 0.000 0.506 710 V N -0.122 119.714 119.914 -0.129 0.000 2.346 710 V HA -0.203 3.919 4.120 0.002 0.000 0.244 710 V C 1.471 177.310 176.094 -0.426 0.000 1.037 710 V CA 1.499 63.608 62.300 -0.319 0.000 1.029 710 V CB -0.381 31.142 31.823 -0.499 0.000 0.663 710 V HN 0.301 nan 8.190 nan 0.000 0.454 711 Y N 0.688 120.853 120.300 -0.224 0.000 2.519 711 Y HA 0.180 4.731 4.550 0.002 0.000 0.287 711 Y C 2.295 178.042 175.900 -0.255 0.000 1.128 711 Y CA 0.809 58.671 58.100 -0.396 0.000 1.282 711 Y CB -0.165 37.655 38.460 -1.067 0.000 1.027 711 Y HN 0.302 nan 8.280 nan 0.000 0.551 712 G N -0.471 108.336 108.800 0.012 0.000 3.088 712 G HA2 0.347 4.308 3.960 0.002 0.000 0.217 712 G HA3 0.347 4.308 3.960 0.002 0.000 0.217 712 G C 0.616 175.541 174.900 0.041 0.000 1.159 712 G CA 0.305 45.464 45.100 0.098 0.000 0.760 712 G HN 0.292 nan 8.290 nan 0.000 0.550 713 A N 0.427 123.247 122.820 -0.001 0.000 2.327 713 A HA 0.423 4.744 4.320 0.002 0.000 0.255 713 A C 1.152 178.741 177.584 0.009 0.000 1.099 713 A CA 0.011 52.045 52.037 -0.005 0.000 0.801 713 A CB 0.447 19.429 19.000 -0.030 0.000 1.062 713 A HN 0.072 nan 8.150 nan 0.000 0.496 714 D N 0.072 120.478 120.400 0.010 0.000 2.144 714 D HA -0.132 4.509 4.640 0.002 0.000 0.199 714 D C 1.117 177.434 176.300 0.027 0.000 0.984 714 D CA 1.929 55.941 54.000 0.020 0.000 0.834 714 D CB -0.096 40.713 40.800 0.015 0.000 0.955 714 D HN 0.715 nan 8.370 nan 0.000 0.465 715 D N -0.300 120.111 120.400 0.018 0.000 2.340 715 D HA 0.086 4.728 4.640 0.002 0.000 0.220 715 D C 1.450 177.772 176.300 0.037 0.000 1.039 715 D CA 0.263 54.277 54.000 0.024 0.000 0.866 715 D CB -0.176 40.630 40.800 0.009 0.000 0.913 715 D HN 0.116 nan 8.370 nan 0.000 0.523 716 A N 0.222 123.066 122.820 0.039 0.000 2.021 716 A HA -0.081 4.240 4.320 0.002 0.000 0.216 716 A C 2.168 179.841 177.584 0.149 0.000 1.163 716 A CA 0.383 52.453 52.037 0.055 0.000 0.676 716 A CB -0.327 18.677 19.000 0.007 0.000 0.818 716 A HN 0.122 nan 8.150 nan 0.000 0.453 717 Q N -0.303 119.592 119.800 0.158 0.000 2.077 717 Q HA -0.177 4.165 4.340 0.002 0.000 0.206 717 Q C -0.508 175.627 176.000 0.225 0.000 0.989 717 Q CA 2.123 58.058 55.803 0.219 0.000 0.853 717 Q CB -1.175 27.692 28.738 0.216 0.000 0.907 717 Q HN 0.502 nan 8.270 nan 0.000 0.418 718 P HA -0.167 nan 4.420 nan 0.000 0.216 718 P C 1.053 178.419 177.300 0.110 0.000 1.153 718 P CA 1.338 64.542 63.100 0.173 0.000 0.848 718 P CB -0.121 31.691 31.700 0.188 0.000 0.787 719 K N -0.691 119.788 120.400 0.133 0.000 2.057 719 K HA -0.188 4.133 4.320 0.002 0.000 0.207 719 K C 2.040 178.777 176.600 0.227 0.000 1.049 719 K CA 1.271 57.641 56.287 0.139 0.000 0.931 719 K CB -0.817 31.741 32.500 0.096 0.000 0.714 719 K HN -0.026 nan 8.250 nan 0.000 0.440 720 F N 1.303 121.360 119.950 0.179 0.000 2.069 720 F HA -0.221 4.308 4.527 0.002 0.000 0.298 720 F C 1.684 177.517 175.800 0.054 0.000 1.113 720 F CA 1.650 59.744 58.000 0.156 0.000 1.214 720 F CB -0.605 38.452 39.000 0.094 0.000 0.978 720 F HN -0.158 nan 8.300 nan 0.000 0.474 721 V N 0.933 120.652 119.914 -0.325 0.000 2.261 721 V HA -0.353 3.768 4.120 0.002 0.000 0.246 721 V C 2.542 178.490 176.094 -0.243 0.000 1.047 721 V CA 2.333 64.361 62.300 -0.454 0.000 1.015 721 V CB -1.073 30.546 31.823 -0.342 0.000 0.642 721 V HN 0.544 nan 8.190 nan 0.000 0.446 722 Q N -0.286 119.449 119.800 -0.109 0.000 2.112 722 Q HA -0.298 4.043 4.340 0.002 0.000 0.206 722 Q C 1.854 177.827 176.000 -0.044 0.000 0.987 722 Q CA 2.380 58.159 55.803 -0.040 0.000 0.858 722 Q CB -0.133 28.613 28.738 0.012 0.000 0.905 722 Q HN 0.646 nan 8.270 nan 0.000 0.420 723 D N -0.640 119.731 120.400 -0.049 0.000 2.194 723 D HA -0.087 4.554 4.640 0.002 0.000 0.204 723 D C 1.400 177.628 176.300 -0.121 0.000 0.964 723 D CA 0.471 54.448 54.000 -0.038 0.000 0.846 723 D CB -0.264 40.574 40.800 0.063 0.000 0.962 723 D HN 0.277 nan 8.370 nan 0.000 0.490 724 F N 1.227 120.930 119.950 -0.412 0.000 2.171 724 F HA -0.183 4.346 4.527 0.002 0.000 0.300 724 F C 1.951 177.658 175.800 -0.156 0.000 1.090 724 F CA 1.033 58.793 58.000 -0.400 0.000 1.293 724 F CB -0.025 38.511 39.000 -0.772 0.000 1.013 724 F HN -0.209 nan 8.300 nan 0.000 0.486 725 V N 0.319 120.170 119.914 -0.104 0.000 2.488 725 V HA -0.168 3.954 4.120 0.002 0.000 0.246 725 V C 2.728 178.806 176.094 -0.027 0.000 1.046 725 V CA 1.423 63.691 62.300 -0.053 0.000 1.053 725 V CB -1.461 30.363 31.823 0.003 0.000 0.679 725 V HN 0.442 nan 8.190 nan 0.000 0.458 726 A N 0.447 123.239 122.820 -0.046 0.000 1.877 726 A HA -0.138 4.183 4.320 0.002 0.000 0.216 726 A C 2.431 179.976 177.584 -0.065 0.000 1.186 726 A CA 2.171 54.185 52.037 -0.038 0.000 0.620 726 A CB -0.829 18.155 19.000 -0.026 0.000 0.822 726 A HN 0.560 nan 8.150 nan 0.000 0.443 727 A N -1.362 121.396 122.820 -0.103 0.000 1.933 727 A HA -0.176 4.146 4.320 0.002 0.000 0.218 727 A C 2.092 179.596 177.584 -0.133 0.000 1.175 727 A CA 1.391 53.358 52.037 -0.118 0.000 0.628 727 A CB -0.817 18.106 19.000 -0.127 0.000 0.814 727 A HN 0.880 nan 8.150 nan 0.000 0.444 728 W N 0.961 122.024 121.300 -0.396 0.000 2.378 728 W HA -0.173 4.488 4.660 0.002 0.000 0.313 728 W C 1.475 177.880 176.519 -0.190 0.000 1.197 728 W CA 2.065 59.211 57.345 -0.332 0.000 1.304 728 W CB -0.485 28.695 29.460 -0.466 0.000 1.148 728 W HN 0.495 nan 8.180 nan 0.000 0.494 729 D N 0.687 121.088 120.400 0.002 0.000 2.221 729 D HA -0.237 4.404 4.640 0.002 0.000 0.204 729 D C 2.119 178.289 176.300 -0.216 0.000 0.982 729 D CA 1.766 55.714 54.000 -0.087 0.000 0.857 729 D CB -0.250 40.553 40.800 0.005 0.000 0.934 729 D HN 0.142 nan 8.370 nan 0.000 0.475 730 K N -0.375 119.902 120.400 -0.205 0.000 2.002 730 K HA -0.102 4.220 4.320 0.002 0.000 0.209 730 K C 1.997 178.386 176.600 -0.352 0.000 1.048 730 K CA 1.230 57.373 56.287 -0.240 0.000 0.930 730 K CB -0.136 32.261 32.500 -0.172 0.000 0.714 730 K HN -0.006 nan 8.250 nan 0.000 0.438 731 V N 1.490 121.165 119.914 -0.398 0.000 2.343 731 V HA -0.284 3.838 4.120 0.002 0.000 0.247 731 V C 2.456 178.187 176.094 -0.605 0.000 1.051 731 V CA 1.562 63.547 62.300 -0.524 0.000 1.036 731 V CB -0.383 31.096 31.823 -0.573 0.000 0.654 731 V HN 0.423 nan 8.190 nan 0.000 0.451 732 M N 0.116 119.328 119.600 -0.646 0.000 2.149 732 M HA -0.127 4.354 4.480 0.002 0.000 0.261 732 M C 1.723 177.766 176.300 -0.429 0.000 1.064 732 M CA 1.564 56.543 55.300 -0.535 0.000 1.102 732 M CB -1.414 30.900 32.600 -0.477 0.000 1.369 732 M HN 0.381 nan 8.290 nan 0.000 0.408 733 N N 0.299 118.744 118.700 -0.425 0.000 2.353 733 N HA 0.139 4.880 4.740 0.002 0.000 0.185 733 N C 1.713 176.896 175.510 -0.546 0.000 1.098 733 N CA 0.199 52.997 53.050 -0.419 0.000 0.872 733 N CB -0.047 38.232 38.487 -0.347 0.000 0.970 733 N HN 0.359 nan 8.380 nan 0.000 0.467 734 L N 0.486 121.311 121.223 -0.663 0.000 2.197 734 L HA -0.215 4.126 4.340 0.002 0.000 0.215 734 L C 1.646 177.771 176.870 -1.242 0.000 1.095 734 L CA 1.156 55.373 54.840 -1.039 0.000 0.764 734 L CB -0.232 41.019 42.059 -1.347 0.000 0.897 734 L HN 0.014 nan 8.230 nan 0.000 0.436 735 D N -0.213 119.733 120.400 -0.758 0.000 2.183 735 D HA -0.069 4.573 4.640 0.002 0.000 0.203 735 D C 1.181 177.244 176.300 -0.395 0.000 0.969 735 D CA 0.786 54.592 54.000 -0.322 0.000 0.842 735 D CB 0.137 40.833 40.800 -0.173 0.000 0.957 735 D HN 0.083 nan 8.370 nan 0.000 0.484 736 R N 1.065 121.221 120.500 -0.574 0.000 4.390 736 R HA 0.115 4.456 4.340 0.002 0.000 0.229 736 R C 0.405 176.493 176.300 -0.353 0.000 1.674 736 R CA -0.250 55.638 56.100 -0.354 0.000 1.526 736 R CB -1.151 28.961 30.300 -0.312 0.000 1.418 736 R HN 0.239 nan 8.270 nan 0.000 0.790 737 F N 0.839 120.765 119.950 -0.040 0.000 2.699 737 F HA -0.097 4.431 4.527 0.002 0.000 0.298 737 F C 1.970 177.762 175.800 -0.013 0.000 1.154 737 F CA 0.579 58.572 58.000 -0.011 0.000 1.457 737 F CB 0.054 39.074 39.000 0.033 0.000 1.106 737 F HN 0.245 nan 8.300 nan 0.000 0.585 738 D N 0.582 121.046 120.400 0.107 0.000 2.312 738 D HA -0.097 4.545 4.640 0.002 0.000 0.211 738 D C 1.474 177.779 176.300 0.007 0.000 0.964 738 D CA 1.360 55.391 54.000 0.052 0.000 0.877 738 D CB -0.451 40.363 40.800 0.025 0.000 0.924 738 D HN 0.363 nan 8.370 nan 0.000 0.515 739 V N -2.389 117.509 119.914 -0.028 0.000 3.432 739 V HA 0.341 4.462 4.120 0.002 0.000 0.298 739 V C 0.781 176.846 176.094 -0.048 0.000 1.464 739 V CA -0.602 61.667 62.300 -0.052 0.000 1.046 739 V CB -0.476 31.291 31.823 -0.093 0.000 0.887 739 V HN 0.126 nan 8.190 nan 0.000 0.441 740 R N 0.000 120.483 120.500 -0.028 0.000 2.786 740 R HA 0.000 4.341 4.340 0.002 0.000 0.208 740 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 740 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535