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 1ww8_1_B DATA FIRST_RESID 3 DATA SEQUENCE REKALEFHKN NFPGNGKIEV IPKVSLESRE ELTLAYTPGV AEPCKEIARD DATA SEQUENCE PGKVYEYTSK GNLVAVVSDG SRILGLGNIG PLAGLPVXEG KALLFKRFGG DATA SEQUENCE VDAFPIXIKE QEPNKFIDIV KAIAPTFGGI NLEDIASPKC FYILERLREE DATA SEQUENCE LDIPVFHDDQ QGTAAVVLAG LLNALKVVGK KISEITLALF GAGAAGFATL DATA SEQUENCE RILTEAGVKP ENVRVVELVN GKPRILTSDL DLEKLFPYRG WLLKKTNGEN DATA SEQUENCE IEGGPQEALK DADVLISFTR PGPGVIKPQW IEKXNEDAIV FPLANPVPEI DATA SEQUENCE LPEEAKKAGA RIVATGRSDY PNQINNLLGF PGIFRGALDV RARTITDSXI DATA SEQUENCE IAAAKAIASI VEEPSEENII PSPLNPIVYA REARAVAEEA XKEGVARTKV DATA SEQUENCE KGEWVEEHTI RLIEFYENVI APINKKRREY SKA 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.317 176.300 0.029 0.000 0.893 3 R CA 0.000 56.108 56.100 0.013 0.000 0.921 3 R CB 0.000 30.305 30.300 0.008 0.000 0.687 4 E N 1.922 122.141 120.200 0.032 0.000 2.160 4 E HA -0.172 4.178 4.350 0.001 0.000 0.195 4 E C 1.536 178.178 176.600 0.071 0.000 0.991 4 E CA 1.732 58.159 56.400 0.045 0.000 0.810 4 E CB -0.005 29.718 29.700 0.037 0.000 0.742 4 E HN 0.292 nan 8.360 nan 0.000 0.466 5 K N 0.171 120.611 120.400 0.068 0.000 2.155 5 K HA -0.000 4.320 4.320 0.001 0.000 0.203 5 K C 1.952 178.640 176.600 0.147 0.000 1.052 5 K CA 1.060 57.406 56.287 0.097 0.000 0.948 5 K CB -0.031 32.506 32.500 0.062 0.000 0.728 5 K HN 0.142 nan 8.250 nan 0.000 0.448 6 A N 1.353 124.239 122.820 0.109 0.000 1.968 6 A HA -0.019 4.302 4.320 0.001 0.000 0.217 6 A C 2.054 179.803 177.584 0.275 0.000 1.169 6 A CA 0.800 52.931 52.037 0.156 0.000 0.638 6 A CB -0.362 18.674 19.000 0.058 0.000 0.812 6 A HN 0.291 nan 8.150 nan 0.000 0.446 7 L N -1.097 120.219 121.223 0.155 0.000 2.109 7 L HA -0.121 4.219 4.340 0.001 0.000 0.207 7 L C 2.592 179.580 176.870 0.197 0.000 1.086 7 L CA 1.535 56.452 54.840 0.130 0.000 0.760 7 L CB -0.370 41.726 42.059 0.061 0.000 0.910 7 L HN 0.370 nan 8.230 nan 0.000 0.437 8 E N 0.206 120.516 120.200 0.182 0.000 2.150 8 E HA -0.238 4.112 4.350 0.001 0.000 0.193 8 E C 1.901 178.618 176.600 0.195 0.000 0.985 8 E CA 1.028 57.522 56.400 0.157 0.000 0.814 8 E CB -0.220 29.554 29.700 0.123 0.000 0.752 8 E HN 0.350 nan 8.360 nan 0.000 0.466 9 F N -0.199 119.817 119.950 0.110 0.000 2.293 9 F HA -0.116 4.411 4.527 0.001 0.000 0.300 9 F C 1.458 177.244 175.800 -0.023 0.000 1.086 9 F CA 1.468 59.498 58.000 0.050 0.000 1.375 9 F CB -0.010 39.019 39.000 0.048 0.000 1.045 9 F HN 0.149 nan 8.300 nan 0.000 0.516 10 H N -0.588 118.599 119.070 0.196 0.000 2.539 10 H HA 0.208 4.764 4.556 0.001 0.000 0.267 10 H C 0.186 175.528 175.328 0.023 0.000 0.982 10 H CA 0.273 56.385 56.048 0.107 0.000 1.146 10 H CB 0.048 29.888 29.762 0.130 0.000 1.382 10 H HN 0.040 nan 8.280 nan 0.000 0.577 11 K N 1.067 121.530 120.400 0.105 0.000 2.166 11 K HA 0.178 4.499 4.320 0.001 0.000 0.245 11 K C -0.087 176.520 176.600 0.012 0.000 0.967 11 K CA -0.916 55.407 56.287 0.059 0.000 0.863 11 K CB 1.233 33.775 32.500 0.071 0.000 1.107 11 K HN 0.136 nan 8.250 nan 0.000 0.436 12 N N 2.414 121.130 118.700 0.026 0.000 2.669 12 N HA -0.186 4.555 4.740 0.001 0.000 0.266 12 N C -1.209 174.318 175.510 0.028 0.000 1.024 12 N CA 0.583 53.657 53.050 0.040 0.000 0.766 12 N CB -1.013 37.504 38.487 0.049 0.000 0.898 12 N HN 0.561 nan 8.380 nan 0.000 0.548 13 N N 1.091 119.796 118.700 0.008 0.000 2.776 13 N HA 0.131 4.871 4.740 0.001 0.000 0.245 13 N C -0.184 175.351 175.510 0.042 0.000 1.121 13 N CA -0.416 52.631 53.050 -0.006 0.000 0.852 13 N CB 0.182 38.612 38.487 -0.095 0.000 1.142 13 N HN 0.231 nan 8.380 nan 0.000 0.514 14 F N 4.132 124.069 119.950 -0.022 0.000 2.579 14 F HA -0.041 4.487 4.527 0.001 0.000 0.397 14 F C -1.491 174.274 175.800 -0.057 0.000 1.027 14 F CA -0.510 57.480 58.000 -0.017 0.000 1.217 14 F CB 0.494 39.512 39.000 0.030 0.000 0.986 14 F HN 0.325 nan 8.300 nan 0.000 0.551 15 P HA 0.326 nan 4.420 nan 0.000 0.285 15 P C 0.324 177.397 177.300 -0.379 0.000 1.259 15 P CA 0.584 63.093 63.100 -0.985 0.000 0.794 15 P CB 1.314 32.487 31.700 -0.878 0.000 0.940 16 G N 4.113 112.763 108.800 -0.250 0.000 2.582 16 G HA2 -0.259 3.701 3.960 0.001 0.000 0.288 16 G HA3 -0.259 3.701 3.960 0.001 0.000 0.288 16 G C -0.049 174.826 174.900 -0.041 0.000 1.247 16 G CA -0.113 44.932 45.100 -0.092 0.000 0.972 16 G HN 0.692 nan 8.290 nan 0.000 0.557 17 N N 1.167 119.851 118.700 -0.026 0.000 2.725 17 N HA 0.637 5.377 4.740 0.001 0.000 0.312 17 N C 0.702 176.208 175.510 -0.007 0.000 1.295 17 N CA 0.875 53.924 53.050 -0.002 0.000 0.914 17 N CB 0.738 39.241 38.487 0.026 0.000 1.177 17 N HN 2.305 nan 8.380 nan 0.000 0.601 18 G N -0.007 108.807 108.800 0.023 0.000 2.698 18 G HA2 -0.214 3.747 3.960 0.001 0.000 0.225 18 G HA3 -0.214 3.747 3.960 0.001 0.000 0.225 18 G C -0.418 174.465 174.900 -0.028 0.000 1.345 18 G CA -0.121 44.995 45.100 0.027 0.000 0.871 18 G HN 0.557 nan 8.290 nan 0.000 0.540 19 K N -0.650 119.739 120.400 -0.017 0.000 2.477 19 K HA 0.357 4.677 4.320 0.001 0.000 0.208 19 K C 0.678 177.275 176.600 -0.006 0.000 1.117 19 K CA 0.593 56.858 56.287 -0.037 0.000 1.039 19 K CB 0.762 33.251 32.500 -0.018 0.000 0.937 19 K HN 0.731 nan 8.250 nan 0.000 0.570 20 I N -2.244 118.325 120.570 -0.002 0.000 2.785 20 I HA 0.532 4.703 4.170 0.001 0.000 0.302 20 I C -0.982 175.154 176.117 0.030 0.000 1.069 20 I CA -0.785 60.528 61.300 0.022 0.000 1.045 20 I CB 2.227 40.233 38.000 0.012 0.000 1.236 20 I HN -0.133 nan 8.210 nan 0.000 0.429 21 E N 3.110 123.344 120.200 0.056 0.000 2.408 21 E HA 0.675 5.026 4.350 0.001 0.000 0.275 21 E C -1.955 174.693 176.600 0.080 0.000 0.935 21 E CA -0.922 55.505 56.400 0.044 0.000 0.775 21 E CB 2.858 32.556 29.700 -0.003 0.000 1.277 21 E HN 0.583 nan 8.360 nan 0.000 0.455 22 V N 4.653 124.602 119.914 0.059 0.000 2.378 22 V HA 0.423 4.543 4.120 0.001 0.000 0.288 22 V C 0.109 176.211 176.094 0.013 0.000 1.016 22 V CA -0.569 61.760 62.300 0.049 0.000 0.840 22 V CB 0.633 32.473 31.823 0.027 0.000 0.994 22 V HN 0.550 nan 8.190 nan 0.000 0.431 23 I N 3.125 123.706 120.570 0.019 0.000 2.797 23 I HA 0.859 5.029 4.170 0.001 0.000 0.307 23 I C -2.541 173.583 176.117 0.011 0.000 1.033 23 I CA -2.387 58.918 61.300 0.008 0.000 1.071 23 I CB 2.035 40.042 38.000 0.012 0.000 1.255 23 I HN 0.355 nan 8.210 nan 0.000 0.445 24 P HA 0.404 nan 4.420 nan 0.000 0.276 24 P C -0.741 176.574 177.300 0.025 0.000 1.244 24 P CA -0.635 62.470 63.100 0.009 0.000 0.801 24 P CB 0.715 32.416 31.700 0.002 0.000 1.006 25 K N 0.183 120.598 120.400 0.025 0.000 2.414 25 K HA 0.277 4.597 4.320 0.001 0.000 0.204 25 K C -0.066 176.552 176.600 0.031 0.000 1.026 25 K CA -0.089 56.219 56.287 0.034 0.000 1.108 25 K CB 0.454 32.970 32.500 0.025 0.000 0.855 25 K HN 0.344 nan 8.250 nan 0.000 0.517 26 V N -3.128 116.802 119.914 0.026 0.000 3.114 26 V HA 0.465 4.585 4.120 0.001 0.000 0.308 26 V C -0.203 175.905 176.094 0.022 0.000 1.168 26 V CA -1.088 61.227 62.300 0.025 0.000 1.015 26 V CB 1.924 33.762 31.823 0.024 0.000 1.050 26 V HN -0.074 nan 8.190 nan 0.000 0.433 27 S N 2.038 117.750 115.700 0.021 0.000 2.576 27 S HA 0.628 5.098 4.470 0.001 0.000 0.276 27 S C 0.171 174.780 174.600 0.015 0.000 1.339 27 S CA -0.290 57.921 58.200 0.018 0.000 1.039 27 S CB 0.522 63.733 63.200 0.018 0.000 0.902 27 S HN 0.717 nan 8.310 nan 0.000 0.516 28 L N 2.077 123.307 121.223 0.011 0.000 3.393 28 L HA 0.243 4.583 4.340 0.001 0.000 0.319 28 L C 0.863 177.737 176.870 0.007 0.000 1.309 28 L CA -0.162 54.683 54.840 0.009 0.000 0.962 28 L CB 0.240 42.301 42.059 0.003 0.000 1.391 28 L HN 0.514 nan 8.230 nan 0.000 0.607 29 E N 0.315 120.521 120.200 0.009 0.000 2.075 29 E HA 0.040 4.391 4.350 0.001 0.000 0.190 29 E C 1.253 177.858 176.600 0.008 0.000 0.969 29 E CA 0.696 57.101 56.400 0.008 0.000 0.815 29 E CB 0.091 29.796 29.700 0.009 0.000 0.776 29 E HN 0.435 nan 8.360 nan 0.000 0.457 30 S N 0.612 116.318 115.700 0.010 0.000 2.686 30 S HA 0.321 4.791 4.470 0.001 0.000 0.270 30 S C 1.124 175.730 174.600 0.010 0.000 1.194 30 S CA -0.484 57.721 58.200 0.009 0.000 0.990 30 S CB 2.229 65.434 63.200 0.009 0.000 1.029 30 S HN -0.030 nan 8.310 nan 0.000 0.560 31 R N 0.543 121.048 120.500 0.009 0.000 2.062 31 R HA 0.028 4.368 4.340 0.001 0.000 0.229 31 R C 2.276 178.583 176.300 0.011 0.000 1.128 31 R CA 2.043 58.149 56.100 0.010 0.000 0.960 31 R CB -1.022 29.282 30.300 0.008 0.000 0.855 31 R HN 0.904 nan 8.270 nan 0.000 0.432 32 E N 0.311 120.516 120.200 0.009 0.000 2.085 32 E HA -0.230 4.120 4.350 0.001 0.000 0.194 32 E C 1.526 178.132 176.600 0.010 0.000 0.994 32 E CA 1.655 58.059 56.400 0.007 0.000 0.801 32 E CB 0.015 29.717 29.700 0.005 0.000 0.743 32 E HN 0.534 nan 8.360 nan 0.000 0.453 33 E N 0.259 120.466 120.200 0.013 0.000 2.110 33 E HA -0.173 4.177 4.350 0.001 0.000 0.193 33 E C 2.247 178.862 176.600 0.025 0.000 0.988 33 E CA 0.884 57.294 56.400 0.017 0.000 0.804 33 E CB -0.031 29.678 29.700 0.016 0.000 0.745 33 E HN 0.362 nan 8.360 nan 0.000 0.458 34 L N 0.817 122.056 121.223 0.027 0.000 2.156 34 L HA -0.090 4.250 4.340 0.001 0.000 0.208 34 L C 2.653 179.559 176.870 0.060 0.000 1.095 34 L CA 1.401 56.267 54.840 0.044 0.000 0.770 34 L CB -0.603 41.477 42.059 0.036 0.000 0.914 34 L HN 0.283 nan 8.230 nan 0.000 0.439 35 T N -2.948 111.627 114.554 0.035 0.000 3.085 35 T HA -0.004 4.346 4.350 0.001 0.000 0.263 35 T C 1.661 176.365 174.700 0.006 0.000 1.127 35 T CA 0.554 62.667 62.100 0.023 0.000 1.103 35 T CB -0.005 68.867 68.868 0.007 0.000 0.921 35 T HN 0.223 nan 8.240 nan 0.000 0.510 36 L N -0.242 120.988 121.223 0.012 0.000 2.425 36 L HA 0.425 4.765 4.340 0.001 0.000 0.215 36 L C 3.072 179.949 176.870 0.012 0.000 1.065 36 L CA 0.645 55.484 54.840 -0.002 0.000 0.842 36 L CB -0.433 41.625 42.059 -0.001 0.000 1.033 36 L HN 0.306 nan 8.230 nan 0.000 0.474 37 A N -0.812 122.034 122.820 0.044 0.000 1.929 37 A HA -0.134 4.186 4.320 0.001 0.000 0.216 37 A C 1.178 178.846 177.584 0.140 0.000 1.176 37 A CA 1.380 53.459 52.037 0.069 0.000 0.628 37 A CB -0.170 18.869 19.000 0.064 0.000 0.816 37 A HN 0.329 nan 8.150 nan 0.000 0.444 38 Y N -0.086 120.198 120.300 -0.027 0.000 3.258 38 Y HA 0.416 4.967 4.550 0.000 0.000 0.311 38 Y C 0.883 176.764 175.900 -0.031 0.000 1.587 38 Y CA -0.460 57.622 58.100 -0.030 0.000 0.925 38 Y CB 0.145 38.589 38.460 -0.026 0.000 1.323 38 Y HN 0.104 nan 8.280 nan 0.000 0.719 39 T N 1.658 115.953 114.554 -0.432 0.000 2.930 39 T HA 0.185 4.535 4.350 0.001 0.000 0.306 39 T C -2.015 172.630 174.700 -0.092 0.000 1.045 39 T CA -0.919 61.000 62.100 -0.301 0.000 1.134 39 T CB 1.056 69.739 68.868 -0.309 0.000 0.961 39 T HN 0.507 nan 8.240 nan 0.000 0.545 40 P HA 0.172 nan 4.420 nan 0.000 0.245 40 P C 1.770 178.998 177.300 -0.119 0.000 1.199 40 P CA 0.312 63.340 63.100 -0.119 0.000 0.807 40 P CB -0.258 31.394 31.700 -0.080 0.000 1.002 41 G N 1.303 110.049 108.800 -0.091 0.000 2.503 41 G HA2 -0.278 3.682 3.960 0.001 0.000 0.221 41 G HA3 -0.278 3.682 3.960 0.001 0.000 0.221 41 G C 1.604 176.437 174.900 -0.112 0.000 1.131 41 G CA 0.774 45.822 45.100 -0.086 0.000 0.756 41 G HN 0.270 nan 8.290 nan 0.000 0.572 42 V N 1.171 121.007 119.914 -0.131 0.000 2.828 42 V HA 0.001 4.121 4.120 0.001 0.000 0.260 42 V C 2.997 178.999 176.094 -0.153 0.000 1.101 42 V CA 2.085 64.302 62.300 -0.139 0.000 1.123 42 V CB -0.507 31.214 31.823 -0.171 0.000 0.704 42 V HN 0.462 nan 8.190 nan 0.000 0.493 43 A N -0.809 121.917 122.820 -0.156 0.000 2.015 43 A HA -0.110 4.211 4.320 0.001 0.000 0.219 43 A C 2.088 179.594 177.584 -0.130 0.000 1.163 43 A CA 1.357 53.311 52.037 -0.137 0.000 0.646 43 A CB -0.317 18.608 19.000 -0.125 0.000 0.806 43 A HN 0.591 nan 8.150 nan 0.000 0.448 44 E N -0.014 120.100 120.200 -0.144 0.000 2.028 44 E HA -0.113 4.237 4.350 0.001 0.000 0.191 44 E C -0.399 176.059 176.600 -0.237 0.000 0.988 44 E CA 1.545 57.844 56.400 -0.168 0.000 0.799 44 E CB -1.550 28.048 29.700 -0.170 0.000 0.755 44 E HN 0.529 nan 8.360 nan 0.000 0.447 45 P HA -0.060 nan 4.420 nan 0.000 0.220 45 P C 1.366 178.557 177.300 -0.182 0.000 1.148 45 P CA 0.932 63.783 63.100 -0.413 0.000 0.803 45 P CB -0.097 31.384 31.700 -0.364 0.000 0.782 46 C N 0.378 119.601 119.300 -0.129 0.000 2.429 46 C HA -0.053 4.407 4.460 0.001 0.000 0.277 46 C C 2.716 177.667 174.990 -0.065 0.000 1.262 46 C CA 0.958 59.928 59.018 -0.080 0.000 1.733 46 C CB -1.371 26.319 27.740 -0.084 0.000 2.010 46 C HN 0.287 nan 8.230 nan 0.000 0.483 47 K N 0.498 120.850 120.400 -0.080 0.000 2.097 47 K HA -0.109 4.212 4.320 0.001 0.000 0.205 47 K C 2.037 178.613 176.600 -0.040 0.000 1.050 47 K CA 0.991 57.242 56.287 -0.059 0.000 0.938 47 K CB -0.137 32.323 32.500 -0.066 0.000 0.718 47 K HN 0.463 nan 8.250 nan 0.000 0.442 48 E N 0.961 121.129 120.200 -0.053 0.000 2.077 48 E HA -0.152 4.199 4.350 0.001 0.000 0.193 48 E C 2.004 178.635 176.600 0.052 0.000 0.989 48 E CA 1.119 57.521 56.400 0.004 0.000 0.800 48 E CB -0.151 29.551 29.700 0.003 0.000 0.746 48 E HN 0.370 nan 8.360 nan 0.000 0.452 49 I N 0.850 121.450 120.570 0.049 0.000 2.676 49 I HA -0.166 4.005 4.170 0.001 0.000 0.259 49 I C 2.316 178.445 176.117 0.020 0.000 1.194 49 I CA 0.678 62.009 61.300 0.052 0.000 1.473 49 I CB -0.226 37.797 38.000 0.039 0.000 1.096 49 I HN -0.030 nan 8.210 nan 0.000 0.443 50 A N 1.837 124.659 122.820 0.003 0.000 1.968 50 A HA -0.174 4.147 4.320 0.001 0.000 0.217 50 A C 2.341 179.926 177.584 0.002 0.000 1.169 50 A CA 1.562 53.596 52.037 -0.004 0.000 0.638 50 A CB -0.367 18.623 19.000 -0.016 0.000 0.812 50 A HN 0.513 nan 8.150 nan 0.000 0.446 51 R N -0.941 119.564 120.500 0.007 0.000 2.112 51 R HA 0.096 4.436 4.340 0.001 0.000 0.216 51 R C -0.284 176.027 176.300 0.018 0.000 1.080 51 R CA 1.240 57.346 56.100 0.009 0.000 0.996 51 R CB -0.084 30.221 30.300 0.007 0.000 0.902 51 R HN 0.231 nan 8.270 nan 0.000 0.449 52 D N 1.027 121.446 120.400 0.031 0.000 2.363 52 D HA 0.217 4.858 4.640 0.001 0.000 0.258 52 D C -1.838 174.491 176.300 0.049 0.000 1.259 52 D CA -2.779 51.244 54.000 0.038 0.000 0.921 52 D CB 1.564 42.390 40.800 0.044 0.000 1.201 52 D HN -0.090 nan 8.370 nan 0.000 0.524 53 P HA -0.191 nan 4.420 nan 0.000 0.218 53 P C 1.467 178.807 177.300 0.067 0.000 1.152 53 P CA 1.288 64.413 63.100 0.041 0.000 0.857 53 P CB 0.131 31.850 31.700 0.032 0.000 0.787 54 G N 0.173 109.023 108.800 0.084 0.000 2.527 54 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 54 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 54 G C 1.562 176.548 174.900 0.143 0.000 1.117 54 G CA 0.375 45.556 45.100 0.135 0.000 0.759 54 G HN 0.238 nan 8.290 nan 0.000 0.556 55 K N 0.326 120.784 120.400 0.095 0.000 2.439 55 K HA 0.088 4.408 4.320 0.001 0.000 0.197 55 K C 2.323 178.965 176.600 0.071 0.000 1.041 55 K CA 0.133 56.469 56.287 0.082 0.000 0.970 55 K CB -0.368 32.241 32.500 0.182 0.000 0.773 55 K HN 0.285 nan 8.250 nan 0.000 0.479 56 V N 0.601 120.537 119.914 0.038 0.000 2.469 56 V HA -0.269 3.851 4.120 0.001 0.000 0.251 56 V C 1.482 177.493 176.094 -0.138 0.000 1.064 56 V CA 1.655 63.915 62.300 -0.067 0.000 1.066 56 V CB -0.384 31.326 31.823 -0.188 0.000 0.667 56 V HN 0.225 nan 8.190 nan 0.000 0.461 57 Y N 0.142 120.412 120.300 -0.050 0.000 2.395 57 Y HA 0.000 4.551 4.550 0.001 0.000 0.293 57 Y C 2.584 178.401 175.900 -0.139 0.000 1.123 57 Y CA 1.340 59.399 58.100 -0.069 0.000 1.227 57 Y CB 0.017 38.443 38.460 -0.057 0.000 1.012 57 Y HN 0.308 nan 8.280 nan 0.000 0.552 58 E N -1.328 118.793 120.200 -0.131 0.000 2.170 58 E HA -0.078 4.272 4.350 0.001 0.000 0.191 58 E C 0.752 177.021 176.600 -0.552 0.000 0.981 58 E CA 1.020 57.155 56.400 -0.442 0.000 0.830 58 E CB -0.134 29.087 29.700 -0.798 0.000 0.775 58 E HN 0.553 nan 8.360 nan 0.000 0.470 59 Y N 0.117 120.421 120.300 0.007 0.000 2.481 59 Y HA 0.148 4.699 4.550 0.001 0.000 0.247 59 Y C 1.115 176.997 175.900 -0.031 0.000 1.151 59 Y CA -0.182 57.910 58.100 -0.013 0.000 1.238 59 Y CB 0.458 38.906 38.460 -0.020 0.000 1.179 59 Y HN -0.110 nan 8.280 nan 0.000 0.524 60 T N -4.540 110.042 114.554 0.047 0.000 2.858 60 T HA 0.370 4.720 4.350 0.001 0.000 0.285 60 T C 0.863 175.546 174.700 -0.028 0.000 1.052 60 T CA -0.536 61.557 62.100 -0.011 0.000 1.009 60 T CB 1.618 70.441 68.868 -0.074 0.000 1.241 60 T HN -0.164 nan 8.240 nan 0.000 0.542 61 S N -0.479 115.193 115.700 -0.047 0.000 2.558 61 S HA 0.100 4.570 4.470 0.001 0.000 0.217 61 S C 1.769 176.350 174.600 -0.032 0.000 0.975 61 S CA -0.033 58.152 58.200 -0.025 0.000 0.912 61 S CB -0.415 62.766 63.200 -0.032 0.000 0.776 61 S HN 0.780 nan 8.310 nan 0.000 0.526 62 K N 1.898 122.232 120.400 -0.110 0.000 2.071 62 K HA -0.228 4.093 4.320 0.001 0.000 0.217 62 K C 2.121 178.733 176.600 0.020 0.000 1.054 62 K CA 1.805 58.006 56.287 -0.145 0.000 0.937 62 K CB -0.774 31.509 32.500 -0.362 0.000 0.719 62 K HN 0.420 nan 8.250 nan 0.000 0.454 63 G N 0.241 109.115 108.800 0.123 0.000 2.517 63 G HA2 -0.299 3.662 3.960 0.001 0.000 0.222 63 G HA3 -0.299 3.662 3.960 0.001 0.000 0.222 63 G C 1.234 176.282 174.900 0.247 0.000 1.109 63 G CA 1.410 46.725 45.100 0.359 0.000 0.746 63 G HN 0.464 nan 8.290 nan 0.000 0.576 64 N N -1.150 117.654 118.700 0.172 0.000 2.238 64 N HA 0.231 4.971 4.740 0.001 0.000 0.235 64 N C -0.380 175.212 175.510 0.137 0.000 1.209 64 N CA -0.246 52.901 53.050 0.163 0.000 0.879 64 N CB 0.193 38.767 38.487 0.144 0.000 1.136 64 N HN 0.100 nan 8.380 nan 0.000 0.517 65 L N 0.923 122.234 121.223 0.148 0.000 2.272 65 L HA 0.541 4.881 4.340 0.001 0.000 0.289 65 L C -0.702 176.336 176.870 0.279 0.000 1.032 65 L CA -0.783 54.172 54.840 0.191 0.000 0.810 65 L CB 1.695 43.834 42.059 0.133 0.000 1.205 65 L HN -0.197 nan 8.230 nan 0.000 0.422 66 V N 2.802 122.793 119.914 0.128 0.000 2.604 66 V HA 0.611 4.731 4.120 0.001 0.000 0.305 66 V C 0.057 175.969 176.094 -0.305 0.000 1.043 66 V CA -0.661 61.567 62.300 -0.120 0.000 0.888 66 V CB 1.938 33.436 31.823 -0.543 0.000 0.995 66 V HN 0.813 nan 8.190 nan 0.000 0.429 67 A N 4.344 126.773 122.820 -0.651 0.000 2.274 67 A HA 0.704 5.024 4.320 0.001 0.000 0.309 67 A C -0.465 176.851 177.584 -0.447 0.000 1.226 67 A CA -0.401 51.121 52.037 -0.858 0.000 0.853 67 A CB 0.894 18.957 19.000 -1.561 0.000 1.146 67 A HN 0.708 nan 8.150 nan 0.000 0.518 68 V N 4.730 124.465 119.914 -0.299 0.000 2.304 68 V HA 0.211 4.331 4.120 0.001 0.000 0.262 68 V C -0.002 176.015 176.094 -0.128 0.000 1.061 68 V CA -0.254 61.937 62.300 -0.181 0.000 0.872 68 V CB 0.481 32.233 31.823 -0.118 0.000 1.077 68 V HN 0.592 nan 8.190 nan 0.000 0.480 69 V N 4.099 123.957 119.914 -0.093 0.000 2.481 69 V HA 0.761 4.881 4.120 0.001 0.000 0.286 69 V C 0.200 176.329 176.094 0.057 0.000 1.042 69 V CA 0.002 62.282 62.300 -0.035 0.000 0.928 69 V CB 1.702 33.494 31.823 -0.052 0.000 0.986 69 V HN 0.840 nan 8.190 nan 0.000 0.462 70 S N 1.516 117.272 115.700 0.094 0.000 2.543 70 S HA 0.348 4.818 4.470 0.001 0.000 0.274 70 S C -0.468 174.226 174.600 0.156 0.000 1.149 70 S CA -0.358 57.910 58.200 0.113 0.000 0.866 70 S CB 1.959 65.177 63.200 0.031 0.000 1.111 70 S HN 0.943 nan 8.310 nan 0.000 0.457 71 D N 1.573 122.062 120.400 0.149 0.000 2.395 71 D HA 0.224 4.865 4.640 0.001 0.000 0.213 71 D C 1.226 177.552 176.300 0.043 0.000 1.110 71 D CA 0.589 54.671 54.000 0.138 0.000 0.835 71 D CB -0.263 40.632 40.800 0.159 0.000 0.965 71 D HN 1.310 nan 8.370 nan 0.000 0.505 72 G N 1.181 109.992 108.800 0.018 0.000 2.179 72 G HA2 -0.368 3.593 3.960 0.001 0.000 0.257 72 G HA3 -0.368 3.593 3.960 0.001 0.000 0.257 72 G C 1.028 175.922 174.900 -0.011 0.000 1.010 72 G CA 0.914 46.015 45.100 0.003 0.000 0.736 72 G HN 0.611 nan 8.290 nan 0.000 0.513 73 S N -1.376 114.304 115.700 -0.032 0.000 2.522 73 S HA 0.194 4.664 4.470 0.001 0.000 0.227 73 S C 1.163 175.745 174.600 -0.030 0.000 0.986 73 S CA 1.082 59.258 58.200 -0.039 0.000 0.929 73 S CB 0.367 63.523 63.200 -0.073 0.000 0.769 73 S HN 0.694 nan 8.310 nan 0.000 0.529 74 R N 0.797 121.281 120.500 -0.027 0.000 2.734 74 R HA 0.327 4.667 4.340 0.001 0.000 0.242 74 R C -1.473 174.825 176.300 -0.004 0.000 1.617 74 R CA -0.395 55.697 56.100 -0.013 0.000 1.572 74 R CB 0.130 30.420 30.300 -0.017 0.000 1.477 74 R HN 0.205 nan 8.270 nan 0.000 0.707 75 I N 4.991 125.560 120.570 -0.002 0.000 2.396 75 I HA 0.071 4.241 4.170 0.001 0.000 0.289 75 I C 1.664 177.784 176.117 0.005 0.000 1.056 75 I CA 0.282 61.583 61.300 0.001 0.000 1.365 75 I CB 0.134 38.133 38.000 -0.001 0.000 1.407 75 I HN 0.638 nan 8.210 nan 0.000 0.509 76 L N 5.643 126.870 121.223 0.007 0.000 5.334 76 L HA -0.308 4.032 4.340 0.001 0.000 0.053 76 L C 1.251 178.132 176.870 0.018 0.000 2.649 76 L CA 1.663 56.511 54.840 0.013 0.000 1.695 76 L CB -1.547 40.519 42.059 0.011 0.000 2.744 76 L HN 0.795 nan 8.230 nan 0.000 0.899 77 G N -0.987 107.825 108.800 0.019 0.000 4.644 77 G HA2 0.570 4.530 3.960 0.001 0.000 0.307 77 G HA3 0.570 4.530 3.960 0.001 0.000 0.307 77 G C 0.490 175.401 174.900 0.018 0.000 1.331 77 G CA -0.278 44.836 45.100 0.024 0.000 1.059 77 G HN 0.318 nan 8.290 nan 0.000 0.590 78 L N -0.587 120.643 121.223 0.013 0.000 2.840 78 L HA 0.395 4.735 4.340 0.001 0.000 0.249 78 L C 1.501 178.376 176.870 0.009 0.000 1.119 78 L CA 0.331 55.177 54.840 0.009 0.000 0.930 78 L CB 0.325 42.386 42.059 0.003 0.000 1.295 78 L HN 0.457 nan 8.230 nan 0.000 0.534 79 G N 1.277 110.083 108.800 0.010 0.000 2.527 79 G HA2 -0.284 3.677 3.960 0.001 0.000 0.227 79 G HA3 -0.284 3.677 3.960 0.001 0.000 0.227 79 G C -0.332 174.569 174.900 0.002 0.000 1.291 79 G CA -0.288 44.817 45.100 0.008 0.000 0.904 79 G HN 0.170 nan 8.290 nan 0.000 0.577 80 N N 1.713 120.414 118.700 0.001 0.000 2.508 80 N HA 0.330 5.071 4.740 0.001 0.000 0.253 80 N C 1.482 176.993 175.510 0.001 0.000 1.145 80 N CA 0.310 53.359 53.050 -0.002 0.000 0.973 80 N CB -0.280 38.205 38.487 -0.003 0.000 1.305 80 N HN 0.800 nan 8.380 nan 0.000 0.506 81 I N -0.302 120.268 120.570 0.001 0.000 4.070 81 I HA 0.469 4.639 4.170 0.001 0.000 0.328 81 I C 0.875 176.994 176.117 0.004 0.000 1.298 81 I CA -0.360 60.941 61.300 0.002 0.000 1.173 81 I CB 0.078 38.078 38.000 -0.000 0.000 1.051 81 I HN 0.359 nan 8.210 nan 0.000 0.409 82 G N 2.515 111.319 108.800 0.006 0.000 2.619 82 G HA2 -0.119 3.841 3.960 0.001 0.000 0.686 82 G HA3 -0.119 3.841 3.960 0.001 0.000 0.686 82 G C -2.331 172.577 174.900 0.013 0.000 1.256 82 G CA -0.247 44.860 45.100 0.011 0.000 0.826 82 G HN 0.016 nan 8.290 nan 0.000 0.619 83 P HA -0.059 nan 4.420 nan 0.000 0.218 83 P C 2.090 179.397 177.300 0.012 0.000 1.149 83 P CA 1.309 64.422 63.100 0.022 0.000 0.817 83 P CB 0.145 31.865 31.700 0.032 0.000 0.785 84 L N -0.452 120.777 121.223 0.010 0.000 2.068 84 L HA -0.006 4.335 4.340 0.001 0.000 0.204 84 L C 2.820 179.690 176.870 0.000 0.000 1.076 84 L CA 1.458 56.301 54.840 0.006 0.000 0.753 84 L CB -1.203 40.860 42.059 0.007 0.000 0.910 84 L HN -0.095 nan 8.230 nan 0.000 0.439 85 A N 0.109 122.929 122.820 -0.001 0.000 2.066 85 A HA -0.017 4.304 4.320 0.001 0.000 0.218 85 A C 2.268 179.847 177.584 -0.008 0.000 1.157 85 A CA 1.355 53.388 52.037 -0.007 0.000 0.670 85 A CB -0.883 18.114 19.000 -0.006 0.000 0.804 85 A HN 0.435 nan 8.150 nan 0.000 0.453 86 G N -0.618 108.180 108.800 -0.004 0.000 2.623 86 G HA2 0.063 4.024 3.960 0.001 0.000 0.214 86 G HA3 0.063 4.024 3.960 0.001 0.000 0.214 86 G C 1.311 176.207 174.900 -0.007 0.000 1.138 86 G CA 0.755 45.853 45.100 -0.004 0.000 0.794 86 G HN 0.404 nan 8.290 nan 0.000 0.535 87 L N 1.773 122.991 121.223 -0.009 0.000 2.043 87 L HA -0.005 4.335 4.340 0.001 0.000 0.212 87 L C 0.080 176.949 176.870 -0.003 0.000 1.075 87 L CA 2.019 56.848 54.840 -0.017 0.000 0.752 87 L CB -1.078 40.970 42.059 -0.017 0.000 0.891 87 L HN 0.074 nan 8.230 nan 0.000 0.432 88 P HA -0.104 nan 4.420 nan 0.000 0.215 88 P C 0.891 178.234 177.300 0.071 0.000 1.153 88 P CA 0.986 64.121 63.100 0.057 0.000 0.853 88 P CB -0.115 31.576 31.700 -0.015 0.000 0.788 92 G N 1.646 110.495 108.800 0.082 0.000 2.408 92 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 92 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 92 G C 1.533 176.497 174.900 0.108 0.000 1.150 92 G CA 1.438 46.604 45.100 0.110 0.000 0.776 92 G HN -0.036 nan 8.290 nan 0.000 0.542 93 K N 0.911 121.353 120.400 0.070 0.000 2.026 93 K HA 0.143 4.464 4.320 0.001 0.000 0.208 93 K C 2.755 179.479 176.600 0.207 0.000 1.048 93 K CA 1.407 57.727 56.287 0.055 0.000 0.929 93 K CB -0.567 31.903 32.500 -0.049 0.000 0.713 93 K HN 0.166 nan 8.250 nan 0.000 0.439 94 A N 0.763 123.686 122.820 0.172 0.000 1.883 94 A HA -0.157 4.163 4.320 0.001 0.000 0.217 94 A C 2.008 179.734 177.584 0.236 0.000 1.186 94 A CA 2.052 54.211 52.037 0.203 0.000 0.624 94 A CB -0.917 18.113 19.000 0.050 0.000 0.822 94 A HN 0.401 nan 8.150 nan 0.000 0.444 95 L N -1.672 119.652 121.223 0.167 0.000 2.201 95 L HA 0.020 4.360 4.340 0.001 0.000 0.212 95 L C 2.000 178.949 176.870 0.131 0.000 1.105 95 L CA 1.400 56.325 54.840 0.142 0.000 0.775 95 L CB -1.034 41.093 42.059 0.115 0.000 0.913 95 L HN 0.269 nan 8.230 nan 0.000 0.440 96 L N -1.869 119.485 121.223 0.218 0.000 2.109 96 L HA -0.064 4.276 4.340 0.001 0.000 0.207 96 L C 2.466 179.490 176.870 0.257 0.000 1.086 96 L CA 0.872 55.881 54.840 0.281 0.000 0.760 96 L CB -0.520 41.768 42.059 0.382 0.000 0.910 96 L HN 0.173 nan 8.230 nan 0.000 0.437 97 F N 0.890 120.993 119.950 0.255 0.000 2.134 97 F HA -0.245 4.282 4.527 0.001 0.000 0.299 97 F C 2.631 178.450 175.800 0.031 0.000 1.097 97 F CA 1.670 59.776 58.000 0.177 0.000 1.264 97 F CB -0.183 38.889 39.000 0.120 0.000 1.001 97 F HN -0.065 nan 8.300 nan 0.000 0.479 98 K N 0.380 120.917 120.400 0.229 0.000 2.062 98 K HA -0.149 4.171 4.320 0.001 0.000 0.205 98 K C 2.179 178.718 176.600 -0.101 0.000 1.051 98 K CA 1.147 57.502 56.287 0.113 0.000 0.941 98 K CB -0.244 32.356 32.500 0.166 0.000 0.719 98 K HN -0.084 nan 8.250 nan 0.000 0.440 99 R N -0.712 119.581 120.500 -0.346 0.000 2.092 99 R HA 0.012 4.353 4.340 0.001 0.000 0.231 99 R C 1.473 177.175 176.300 -0.996 0.000 1.119 99 R CA 1.734 57.260 56.100 -0.956 0.000 0.970 99 R CB -0.400 29.228 30.300 -1.120 0.000 0.864 99 R HN 0.298 nan 8.270 nan 0.000 0.440 100 F N -2.736 116.946 119.950 -0.447 0.000 2.653 100 F HA 0.403 4.930 4.527 0.001 0.000 0.288 100 F C 1.938 177.360 175.800 -0.631 0.000 1.121 100 F CA 0.561 58.148 58.000 -0.688 0.000 1.384 100 F CB 0.297 38.596 39.000 -1.167 0.000 1.115 100 F HN 0.162 nan 8.300 nan 0.000 0.599 101 G N -1.203 107.471 108.800 -0.210 0.000 3.192 101 G HA2 0.361 4.321 3.960 0.001 0.000 0.239 101 G HA3 0.361 4.321 3.960 0.001 0.000 0.239 101 G C 1.436 176.330 174.900 -0.009 0.000 1.084 101 G CA 0.209 45.264 45.100 -0.073 0.000 0.784 101 G HN 0.474 nan 8.290 nan 0.000 0.540 102 G N -0.307 108.479 108.800 -0.024 0.000 2.187 102 G HA2 -0.259 3.701 3.960 0.001 0.000 0.261 102 G HA3 -0.259 3.701 3.960 0.001 0.000 0.261 102 G C 0.271 175.215 174.900 0.073 0.000 1.000 102 G CA 0.442 45.554 45.100 0.021 0.000 0.718 102 G HN 0.733 nan 8.290 nan 0.000 0.519 103 V N 1.138 121.129 119.914 0.129 0.000 2.461 103 V HA 0.233 4.353 4.120 0.001 0.000 0.275 103 V C 0.374 176.535 176.094 0.113 0.000 1.047 103 V CA -0.683 61.700 62.300 0.138 0.000 0.955 103 V CB 1.567 33.503 31.823 0.189 0.000 0.988 103 V HN 0.276 nan 8.190 nan 0.000 0.471 104 D N 4.913 125.370 120.400 0.094 0.000 2.455 104 D HA 0.314 4.955 4.640 0.001 0.000 0.234 104 D C 0.302 176.650 176.300 0.080 0.000 1.224 104 D CA 0.275 54.340 54.000 0.108 0.000 0.999 104 D CB 1.154 42.020 40.800 0.111 0.000 1.072 104 D HN 0.670 nan 8.370 nan 0.000 0.514 105 A N 2.514 125.359 122.820 0.042 0.000 2.310 105 A HA 0.551 4.871 4.320 0.001 0.000 0.299 105 A C -0.775 176.886 177.584 0.130 0.000 1.147 105 A CA -0.464 51.541 52.037 -0.053 0.000 0.818 105 A CB 0.740 19.623 19.000 -0.196 0.000 1.096 105 A HN 0.430 nan 8.150 nan 0.000 0.495 106 F N 3.672 123.600 119.950 -0.036 0.000 2.561 106 F HA 0.598 5.125 4.527 0.000 0.000 0.313 106 F C -2.452 173.325 175.800 -0.038 0.000 1.126 106 F CA -2.196 55.821 58.000 0.028 0.000 0.918 106 F CB 2.764 41.856 39.000 0.152 0.000 1.199 106 F HN 0.378 nan 8.300 nan 0.000 0.444 107 P HA 0.269 nan 4.420 nan 0.000 0.280 107 P C -0.967 176.206 177.300 -0.212 0.000 1.244 107 P CA 0.060 62.945 63.100 -0.357 0.000 0.784 107 P CB 1.649 33.133 31.700 -0.361 0.000 0.913 111 K N 2.195 122.635 120.400 0.067 0.000 2.365 111 K HA 0.044 4.365 4.320 0.001 0.000 0.197 111 K C 0.541 177.191 176.600 0.084 0.000 1.042 111 K CA 0.630 56.956 56.287 0.065 0.000 0.987 111 K CB 0.361 32.887 32.500 0.042 0.000 0.779 111 K HN 0.476 nan 8.250 nan 0.000 0.484 112 E N 1.131 121.399 120.200 0.114 0.000 2.223 112 E HA 0.008 4.358 4.350 0.001 0.000 0.282 112 E C -0.022 176.697 176.600 0.198 0.000 1.046 112 E CA 0.392 56.874 56.400 0.136 0.000 0.857 112 E CB 1.140 30.919 29.700 0.131 0.000 1.055 112 E HN 0.128 nan 8.360 nan 0.000 0.409 113 Q N 2.625 122.493 119.800 0.113 0.000 2.352 113 Q HA 0.051 4.391 4.340 0.001 0.000 0.212 113 Q C -0.106 175.917 176.000 0.038 0.000 0.888 113 Q CA -0.031 55.806 55.803 0.057 0.000 0.934 113 Q CB 0.558 29.308 28.738 0.019 0.000 1.093 113 Q HN 0.495 nan 8.270 nan 0.000 0.523 114 E N 3.058 123.305 120.200 0.077 0.000 2.299 114 E HA 0.010 4.361 4.350 0.001 0.000 0.272 114 E C -1.744 174.931 176.600 0.124 0.000 1.043 114 E CA -1.931 54.514 56.400 0.075 0.000 0.895 114 E CB 1.149 30.893 29.700 0.073 0.000 1.011 114 E HN -0.015 nan 8.360 nan 0.000 0.432 115 P HA -0.218 nan 4.420 nan 0.000 0.216 115 P C 0.594 178.058 177.300 0.274 0.000 1.157 115 P CA 1.652 64.861 63.100 0.182 0.000 0.880 115 P CB 0.220 32.054 31.700 0.224 0.000 0.791 116 N N -0.373 118.478 118.700 0.251 0.000 2.120 116 N HA -0.120 4.621 4.740 0.001 0.000 0.188 116 N C 1.903 177.506 175.510 0.155 0.000 1.024 116 N CA 1.103 54.282 53.050 0.214 0.000 0.852 116 N CB -0.263 38.330 38.487 0.176 0.000 1.003 116 N HN 0.216 nan 8.380 nan 0.000 0.424 117 K N 0.259 120.745 120.400 0.143 0.000 2.025 117 K HA -0.125 4.195 4.320 0.001 0.000 0.207 117 K C 1.763 178.434 176.600 0.119 0.000 1.049 117 K CA 1.007 57.358 56.287 0.108 0.000 0.933 117 K CB -0.300 32.257 32.500 0.095 0.000 0.714 117 K HN 0.100 nan 8.250 nan 0.000 0.438 118 F N 2.025 121.988 119.950 0.022 0.000 2.063 118 F HA -0.289 4.238 4.527 0.001 0.000 0.298 118 F C 1.913 177.708 175.800 -0.007 0.000 1.109 118 F CA 1.583 59.585 58.000 0.004 0.000 1.212 118 F CB -0.215 38.784 39.000 -0.002 0.000 0.973 118 F HN -0.060 nan 8.300 nan 0.000 0.480 119 I N 0.226 120.936 120.570 0.233 0.000 2.151 119 I HA -0.362 3.809 4.170 0.001 0.000 0.243 119 I C 2.084 178.191 176.117 -0.017 0.000 1.080 119 I CA 1.750 63.103 61.300 0.089 0.000 1.339 119 I CB -0.671 37.364 38.000 0.059 0.000 1.039 119 I HN 0.178 nan 8.210 nan 0.000 0.409 120 D N 0.848 121.250 120.400 0.003 0.000 2.144 120 D HA -0.144 4.496 4.640 0.001 0.000 0.199 120 D C 2.246 178.514 176.300 -0.052 0.000 0.984 120 D CA 1.379 55.371 54.000 -0.013 0.000 0.834 120 D CB -0.177 40.629 40.800 0.010 0.000 0.955 120 D HN 0.376 nan 8.370 nan 0.000 0.465 121 I N 0.548 121.058 120.570 -0.099 0.000 2.226 121 I HA -0.219 3.952 4.170 0.001 0.000 0.245 121 I C 2.424 178.441 176.117 -0.167 0.000 1.100 121 I CA 0.593 61.811 61.300 -0.137 0.000 1.374 121 I CB -0.098 37.785 38.000 -0.196 0.000 1.057 121 I HN -0.125 nan 8.210 nan 0.000 0.413 122 V N 0.761 120.523 119.914 -0.253 0.000 2.515 122 V HA -0.253 3.867 4.120 0.001 0.000 0.250 122 V C 2.334 178.383 176.094 -0.076 0.000 1.058 122 V CA 1.724 63.901 62.300 -0.206 0.000 1.064 122 V CB -0.682 30.988 31.823 -0.254 0.000 0.675 122 V HN 0.385 nan 8.190 nan 0.000 0.461 123 K N 0.342 120.709 120.400 -0.055 0.000 2.148 123 K HA -0.033 4.288 4.320 0.001 0.000 0.204 123 K C 2.295 178.893 176.600 -0.004 0.000 1.050 123 K CA 1.298 57.576 56.287 -0.015 0.000 0.942 123 K CB -0.349 32.145 32.500 -0.011 0.000 0.724 123 K HN 0.471 nan 8.250 nan 0.000 0.446 124 A N 1.825 124.636 122.820 -0.016 0.000 1.898 124 A HA -0.107 4.213 4.320 0.001 0.000 0.216 124 A C 2.077 179.667 177.584 0.009 0.000 1.181 124 A CA 1.322 53.355 52.037 -0.007 0.000 0.620 124 A CB -0.628 18.363 19.000 -0.016 0.000 0.819 124 A HN 0.457 nan 8.150 nan 0.000 0.442 125 I N -3.717 116.867 120.570 0.024 0.000 3.684 125 I HA 0.319 4.490 4.170 0.001 0.000 0.304 125 I C 1.937 178.160 176.117 0.176 0.000 1.278 125 I CA 0.749 62.100 61.300 0.085 0.000 1.272 125 I CB -0.153 37.918 38.000 0.117 0.000 1.029 125 I HN 0.134 nan 8.210 nan 0.000 0.458 126 A N 2.366 125.265 122.820 0.131 0.000 1.972 126 A HA 0.016 4.336 4.320 0.001 0.000 0.219 126 A C 0.229 177.887 177.584 0.124 0.000 1.169 126 A CA 1.243 53.388 52.037 0.181 0.000 0.635 126 A CB -1.732 17.329 19.000 0.102 0.000 0.810 126 A HN 0.385 nan 8.150 nan 0.000 0.446 127 P HA -0.193 nan 4.420 nan 0.000 0.218 127 P C 1.418 178.638 177.300 -0.133 0.000 1.154 127 P CA 2.205 65.278 63.100 -0.045 0.000 0.872 127 P CB -0.346 31.322 31.700 -0.054 0.000 0.790 128 T N -2.476 111.944 114.554 -0.223 0.000 2.915 128 T HA -0.067 4.283 4.350 0.001 0.000 0.269 128 T C 0.541 174.861 174.700 -0.633 0.000 1.071 128 T CA 1.000 62.793 62.100 -0.512 0.000 1.132 128 T CB -0.660 67.708 68.868 -0.834 0.000 0.878 128 T HN -0.048 nan 8.240 nan 0.000 0.479 129 F N 0.246 120.165 119.950 -0.052 0.000 2.440 129 F HA 0.642 5.169 4.527 0.000 0.000 0.328 129 F C 1.456 177.260 175.800 0.006 0.000 1.070 129 F CA -1.319 56.668 58.000 -0.021 0.000 1.011 129 F CB 1.111 40.113 39.000 0.004 0.000 1.226 129 F HN -0.065 nan 8.300 nan 0.000 0.491 130 G N -0.206 108.755 108.800 0.268 0.000 3.126 130 G HA2 0.474 4.435 3.960 0.001 0.000 0.224 130 G HA3 0.474 4.435 3.960 0.001 0.000 0.224 130 G C 0.136 175.208 174.900 0.287 0.000 1.142 130 G CA 0.265 45.530 45.100 0.275 0.000 0.759 130 G HN 1.002 nan 8.290 nan 0.000 0.550 131 G N -0.237 108.737 108.800 0.290 0.000 2.616 131 G HA2 0.446 4.407 3.960 0.001 0.000 0.294 131 G HA3 0.446 4.407 3.960 0.001 0.000 0.294 131 G C -1.751 173.282 174.900 0.221 0.000 1.489 131 G CA -0.670 44.611 45.100 0.302 0.000 0.836 131 G HN 0.001 nan 8.290 nan 0.000 0.527 132 I N 1.127 121.847 120.570 0.251 0.000 2.465 132 I HA 0.416 4.587 4.170 0.001 0.000 0.291 132 I C -0.641 175.642 176.117 0.278 0.000 1.014 132 I CA -1.153 60.215 61.300 0.113 0.000 1.093 132 I CB 1.794 39.837 38.000 0.072 0.000 1.267 132 I HN 0.586 nan 8.210 nan 0.000 0.431 133 N N 6.585 125.340 118.700 0.093 0.000 2.569 133 N HA 0.422 5.162 4.740 0.001 0.000 0.254 133 N C -1.156 174.439 175.510 0.142 0.000 1.004 133 N CA -0.403 52.785 53.050 0.230 0.000 0.904 133 N CB 0.807 39.305 38.487 0.017 0.000 1.165 133 N HN 0.495 nan 8.380 nan 0.000 0.513 134 L N 1.680 123.006 121.223 0.171 0.000 2.416 134 L HA 0.321 4.661 4.340 0.001 0.000 0.272 134 L C 0.312 177.236 176.870 0.090 0.000 1.161 134 L CA 0.090 54.949 54.840 0.031 0.000 0.845 134 L CB 0.667 42.631 42.059 -0.158 0.000 1.119 134 L HN 0.592 nan 8.230 nan 0.000 0.464 135 E N 1.782 121.996 120.200 0.024 0.000 2.331 135 E HA 0.220 4.571 4.350 0.001 0.000 0.275 135 E C -1.263 175.358 176.600 0.036 0.000 0.895 135 E CA -0.576 55.873 56.400 0.082 0.000 0.753 135 E CB 1.240 30.959 29.700 0.030 0.000 1.216 135 E HN 0.448 nan 8.360 nan 0.000 0.434 136 D N 2.334 122.789 120.400 0.091 0.000 2.802 136 D HA -0.202 4.438 4.640 0.001 0.000 0.229 136 D C -0.723 175.564 176.300 -0.022 0.000 1.203 136 D CA 1.147 55.170 54.000 0.038 0.000 0.712 136 D CB -1.016 39.789 40.800 0.009 0.000 0.973 136 D HN 0.397 nan 8.370 nan 0.000 0.407 137 I N 0.114 120.651 120.570 -0.056 0.000 2.433 137 I HA 0.455 4.625 4.170 0.001 0.000 0.292 137 I C 0.959 176.996 176.117 -0.133 0.000 1.001 137 I CA -1.028 60.163 61.300 -0.182 0.000 1.119 137 I CB 1.704 39.468 38.000 -0.394 0.000 1.289 137 I HN 0.168 nan 8.210 nan 0.000 0.438 138 A N 4.526 127.273 122.820 -0.122 0.000 2.583 138 A HA 0.171 4.492 4.320 0.001 0.000 0.231 138 A C 0.294 177.828 177.584 -0.083 0.000 1.065 138 A CA 0.382 52.373 52.037 -0.077 0.000 0.760 138 A CB 0.254 19.219 19.000 -0.058 0.000 1.001 138 A HN 0.668 nan 8.150 nan 0.000 0.509 139 S N 0.913 116.596 115.700 -0.028 0.000 2.565 139 S HA 0.623 5.093 4.470 0.001 0.000 0.290 139 S C -1.201 173.458 174.600 0.099 0.000 1.150 139 S CA -0.995 57.216 58.200 0.018 0.000 1.058 139 S CB 0.919 64.164 63.200 0.076 0.000 1.032 139 S HN 0.656 nan 8.310 nan 0.000 0.510 140 P HA 0.116 nan 4.420 nan 0.000 0.255 140 P C 0.783 178.247 177.300 0.274 0.000 1.248 140 P CA 0.069 63.396 63.100 0.377 0.000 0.807 140 P CB 0.035 32.028 31.700 0.488 0.000 1.150 141 K N 0.748 121.209 120.400 0.102 0.000 2.211 141 K HA -0.160 4.161 4.320 0.001 0.000 0.204 141 K C 1.909 178.447 176.600 -0.103 0.000 1.047 141 K CA 1.749 58.044 56.287 0.015 0.000 0.935 141 K CB -1.417 31.067 32.500 -0.027 0.000 0.728 141 K HN 0.262 nan 8.250 nan 0.000 0.452 142 C N -0.200 118.975 119.300 -0.208 0.000 2.422 142 C HA 0.014 4.474 4.460 0.001 0.000 0.279 142 C C 2.225 177.040 174.990 -0.292 0.000 1.305 142 C CA -0.169 58.648 59.018 -0.336 0.000 1.757 142 C CB -1.415 26.106 27.740 -0.365 0.000 1.962 142 C HN 0.347 nan 8.230 nan 0.000 0.499 143 F N 0.293 120.225 119.950 -0.030 0.000 2.163 143 F HA 0.048 4.575 4.527 0.001 0.000 0.297 143 F C 2.606 178.297 175.800 -0.181 0.000 1.094 143 F CA 1.751 59.736 58.000 -0.026 0.000 1.290 143 F CB -1.331 37.699 39.000 0.049 0.000 1.017 143 F HN 0.228 nan 8.300 nan 0.000 0.483 144 Y N 0.892 120.920 120.300 -0.453 0.000 2.114 144 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 144 Y C 2.237 178.005 175.900 -0.222 0.000 1.143 144 Y CA 1.356 59.115 58.100 -0.568 0.000 1.135 144 Y CB -0.736 37.227 38.460 -0.829 0.000 0.980 144 Y HN 0.021 nan 8.280 nan 0.000 0.499 145 I N -0.493 119.941 120.570 -0.226 0.000 2.127 145 I HA -0.319 3.851 4.170 0.001 0.000 0.241 145 I C 2.379 178.395 176.117 -0.167 0.000 1.075 145 I CA 1.514 62.677 61.300 -0.230 0.000 1.334 145 I CB -0.617 37.279 38.000 -0.174 0.000 1.040 145 I HN 0.329 nan 8.210 nan 0.000 0.405 146 L N 0.919 122.073 121.223 -0.114 0.000 1.989 146 L HA -0.231 4.109 4.340 0.001 0.000 0.211 146 L C 2.507 179.364 176.870 -0.020 0.000 1.071 146 L CA 1.982 56.802 54.840 -0.032 0.000 0.749 146 L CB -0.794 41.286 42.059 0.036 0.000 0.890 146 L HN 0.161 nan 8.230 nan 0.000 0.431 147 E N -0.014 120.171 120.200 -0.025 0.000 2.085 147 E HA -0.219 4.131 4.350 0.001 0.000 0.194 147 E C 2.364 178.917 176.600 -0.079 0.000 0.994 147 E CA 1.319 57.705 56.400 -0.022 0.000 0.801 147 E CB -0.382 29.319 29.700 0.002 0.000 0.743 147 E HN 0.557 nan 8.360 nan 0.000 0.453 148 R N 0.112 120.502 120.500 -0.184 0.000 2.092 148 R HA 0.032 4.373 4.340 0.001 0.000 0.231 148 R C 2.616 178.857 176.300 -0.098 0.000 1.119 148 R CA 0.687 56.674 56.100 -0.189 0.000 0.970 148 R CB -0.313 29.764 30.300 -0.373 0.000 0.864 148 R HN 0.182 nan 8.270 nan 0.000 0.440 149 L N 0.118 121.297 121.223 -0.073 0.000 2.156 149 L HA -0.094 4.246 4.340 0.001 0.000 0.208 149 L C 2.393 179.270 176.870 0.011 0.000 1.095 149 L CA 1.089 55.919 54.840 -0.017 0.000 0.770 149 L CB -0.245 41.821 42.059 0.011 0.000 0.914 149 L HN 0.118 nan 8.230 nan 0.000 0.439 150 R N -0.451 120.058 120.500 0.015 0.000 2.148 150 R HA -0.119 4.221 4.340 0.001 0.000 0.227 150 R C 2.065 178.377 176.300 0.020 0.000 1.103 150 R CA 0.843 56.963 56.100 0.034 0.000 0.983 150 R CB -0.063 30.262 30.300 0.041 0.000 0.874 150 R HN 0.356 nan 8.270 nan 0.000 0.451 151 E N 0.600 120.801 120.200 0.001 0.000 2.102 151 E HA -0.097 4.254 4.350 0.001 0.000 0.190 151 E C 1.541 178.143 176.600 0.003 0.000 0.971 151 E CA 0.912 57.311 56.400 -0.001 0.000 0.821 151 E CB 0.288 29.980 29.700 -0.014 0.000 0.777 151 E HN 0.406 nan 8.360 nan 0.000 0.460 152 E N 0.184 120.383 120.200 -0.003 0.000 2.385 152 E HA 0.089 4.440 4.350 0.001 0.000 0.194 152 E C 0.527 177.136 176.600 0.016 0.000 1.013 152 E CA -0.009 56.393 56.400 0.003 0.000 0.866 152 E CB 0.456 30.151 29.700 -0.008 0.000 0.832 152 E HN 0.080 nan 8.360 nan 0.000 0.500 153 L N 2.017 123.255 121.223 0.025 0.000 2.379 153 L HA 0.077 4.417 4.340 0.001 0.000 0.269 153 L C 1.148 178.048 176.870 0.050 0.000 1.084 153 L CA -0.577 54.288 54.840 0.041 0.000 0.802 153 L CB 0.925 43.017 42.059 0.053 0.000 1.175 153 L HN 0.096 nan 8.230 nan 0.000 0.448 154 D N 1.541 121.978 120.400 0.062 0.000 2.234 154 D HA -0.041 4.599 4.640 0.001 0.000 0.205 154 D C 0.584 176.941 176.300 0.096 0.000 0.962 154 D CA 0.633 54.677 54.000 0.073 0.000 0.855 154 D CB 0.161 41.009 40.800 0.080 0.000 0.951 154 D HN 0.428 nan 8.370 nan 0.000 0.500 155 I N -2.405 118.230 120.570 0.110 0.000 2.822 155 I HA 0.478 4.649 4.170 0.001 0.000 0.312 155 I C -2.672 173.510 176.117 0.109 0.000 1.011 155 I CA -2.816 58.563 61.300 0.132 0.000 1.105 155 I CB 1.791 39.897 38.000 0.177 0.000 1.291 155 I HN -0.369 nan 8.210 nan 0.000 0.474 156 P HA 0.077 nan 4.420 nan 0.000 0.271 156 P C -0.718 176.659 177.300 0.129 0.000 1.216 156 P CA 0.066 63.207 63.100 0.068 0.000 0.771 156 P CB 1.969 33.657 31.700 -0.020 0.000 0.864 157 V N 5.077 125.080 119.914 0.148 0.000 2.815 157 V HA 0.739 4.859 4.120 0.001 0.000 0.314 157 V C -1.400 174.899 176.094 0.343 0.000 1.064 157 V CA -0.842 61.597 62.300 0.231 0.000 0.952 157 V CB 1.559 33.475 31.823 0.155 0.000 1.020 157 V HN 0.498 nan 8.190 nan 0.000 0.439 158 F N 4.321 124.420 119.950 0.248 0.000 2.641 158 F HA 0.524 5.052 4.527 0.000 0.000 0.308 158 F C -0.917 175.081 175.800 0.331 0.000 1.105 158 F CA -0.569 57.604 58.000 0.289 0.000 0.964 158 F CB 1.730 40.984 39.000 0.423 0.000 1.294 158 F HN 0.704 nan 8.300 nan 0.000 0.442 159 H N 4.289 123.179 119.070 -0.299 0.000 2.786 159 H HA 0.196 4.753 4.556 0.001 0.000 0.284 159 H C 0.055 175.119 175.328 -0.439 0.000 1.104 159 H CA -0.433 55.476 56.048 -0.231 0.000 1.339 159 H CB 1.144 30.789 29.762 -0.196 0.000 1.427 159 H HN 0.874 nan 8.280 nan 0.000 0.497 160 D N 3.132 123.497 120.400 -0.058 0.000 2.116 160 D HA -0.208 4.432 4.640 0.001 0.000 0.193 160 D C 0.983 177.132 176.300 -0.252 0.000 0.998 160 D CA 2.101 56.065 54.000 -0.060 0.000 0.836 160 D CB 0.347 41.219 40.800 0.120 0.000 0.951 160 D HN 0.729 nan 8.370 nan 0.000 0.449 161 D N -0.622 119.528 120.400 -0.416 0.000 2.182 161 D HA -0.151 4.490 4.640 0.001 0.000 0.201 161 D C 1.984 177.967 176.300 -0.529 0.000 0.986 161 D CA 0.902 54.636 54.000 -0.444 0.000 0.847 161 D CB 0.034 40.575 40.800 -0.432 0.000 0.942 161 D HN 0.413 nan 8.370 nan 0.000 0.467 162 Q N -0.091 119.247 119.800 -0.770 0.000 1.962 162 Q HA -0.001 4.339 4.340 0.001 0.000 0.204 162 Q C 2.280 178.109 176.000 -0.285 0.000 0.979 162 Q CA 0.568 56.104 55.803 -0.445 0.000 0.847 162 Q CB -0.076 28.451 28.738 -0.351 0.000 0.906 162 Q HN 0.213 nan 8.270 nan 0.000 0.458 163 Q N 0.056 119.636 119.800 -0.368 0.000 2.124 163 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 163 Q C 1.989 177.958 176.000 -0.052 0.000 0.977 163 Q CA 1.267 56.910 55.803 -0.268 0.000 0.850 163 Q CB -0.277 28.164 28.738 -0.495 0.000 0.901 163 Q HN 0.488 nan 8.270 nan 0.000 0.429 164 G N 0.198 108.966 108.800 -0.054 0.000 2.402 164 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 164 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 164 G C 1.393 176.401 174.900 0.179 0.000 1.162 164 G CA 1.263 46.558 45.100 0.325 0.000 0.777 164 G HN 0.254 nan 8.290 nan 0.000 0.539 165 T N 1.635 116.226 114.554 0.062 0.000 2.746 165 T HA 0.032 4.382 4.350 0.001 0.000 0.267 165 T C 2.822 177.585 174.700 0.105 0.000 1.039 165 T CA 1.464 63.606 62.100 0.070 0.000 1.142 165 T CB -0.348 68.501 68.868 -0.032 0.000 0.866 165 T HN 0.362 nan 8.240 nan 0.000 0.444 166 A N 1.554 124.410 122.820 0.060 0.000 1.877 166 A HA 0.117 4.438 4.320 0.001 0.000 0.216 166 A C 2.661 180.310 177.584 0.109 0.000 1.186 166 A CA 1.918 54.004 52.037 0.081 0.000 0.620 166 A CB -1.199 17.823 19.000 0.037 0.000 0.822 166 A HN 0.503 nan 8.150 nan 0.000 0.443 167 A N -0.037 122.859 122.820 0.127 0.000 1.865 167 A HA -0.088 4.232 4.320 0.001 0.000 0.217 167 A C 2.375 180.023 177.584 0.106 0.000 1.191 167 A CA 2.727 54.842 52.037 0.130 0.000 0.623 167 A CB -1.370 17.738 19.000 0.181 0.000 0.826 167 A HN 1.224 nan 8.150 nan 0.000 0.444 168 V N -2.831 117.149 119.914 0.110 0.000 2.548 168 V HA -0.098 4.022 4.120 0.001 0.000 0.249 168 V C 2.139 178.294 176.094 0.102 0.000 1.055 168 V CA 1.901 64.248 62.300 0.079 0.000 1.065 168 V CB -1.002 30.859 31.823 0.063 0.000 0.681 168 V HN 0.183 nan 8.190 nan 0.000 0.462 169 V N 0.198 120.203 119.914 0.151 0.000 2.358 169 V HA -0.156 3.964 4.120 0.001 0.000 0.246 169 V C 2.547 178.769 176.094 0.214 0.000 1.047 169 V CA 2.302 64.737 62.300 0.225 0.000 1.035 169 V CB -0.394 31.602 31.823 0.288 0.000 0.658 169 V HN 0.584 nan 8.190 nan 0.000 0.452 170 L N 0.880 122.186 121.223 0.138 0.000 2.093 170 L HA -0.035 4.306 4.340 0.001 0.000 0.208 170 L C 2.426 179.347 176.870 0.085 0.000 1.085 170 L CA 2.317 57.213 54.840 0.093 0.000 0.755 170 L CB -0.976 41.124 42.059 0.067 0.000 0.904 170 L HN 0.217 nan 8.230 nan 0.000 0.435 171 A N -0.471 122.396 122.820 0.079 0.000 1.908 171 A HA -0.085 4.235 4.320 0.001 0.000 0.218 171 A C 2.338 179.966 177.584 0.074 0.000 1.181 171 A CA 1.613 53.682 52.037 0.053 0.000 0.627 171 A CB -1.566 17.450 19.000 0.026 0.000 0.818 171 A HN 0.528 nan 8.150 nan 0.000 0.445 172 G N -0.294 108.580 108.800 0.123 0.000 2.404 172 G HA2 -0.120 3.840 3.960 0.001 0.000 0.215 172 G HA3 -0.120 3.840 3.960 0.001 0.000 0.215 172 G C 1.495 176.559 174.900 0.274 0.000 1.174 172 G CA 1.148 46.360 45.100 0.186 0.000 0.780 172 G HN 0.496 nan 8.290 nan 0.000 0.537 173 L N 0.596 121.963 121.223 0.239 0.000 2.046 173 L HA 0.055 4.395 4.340 0.001 0.000 0.208 173 L C 2.737 179.619 176.870 0.019 0.000 1.077 173 L CA 1.355 56.219 54.840 0.040 0.000 0.747 173 L CB -0.490 41.530 42.059 -0.066 0.000 0.896 173 L HN 0.215 nan 8.230 nan 0.000 0.432 174 L N -0.283 120.960 121.223 0.033 0.000 2.013 174 L HA -0.295 4.046 4.340 0.001 0.000 0.212 174 L C 2.360 179.240 176.870 0.016 0.000 1.073 174 L CA 1.686 56.535 54.840 0.016 0.000 0.753 174 L CB -0.837 41.234 42.059 0.019 0.000 0.890 174 L HN 0.415 nan 8.230 nan 0.000 0.432 175 N N -0.183 118.536 118.700 0.032 0.000 2.216 175 N HA -0.094 4.647 4.740 0.001 0.000 0.183 175 N C 1.860 177.387 175.510 0.030 0.000 1.017 175 N CA 1.372 54.438 53.050 0.026 0.000 0.861 175 N CB -0.308 38.195 38.487 0.027 0.000 0.986 175 N HN 0.308 nan 8.380 nan 0.000 0.428 176 A N 1.534 124.386 122.820 0.054 0.000 1.883 176 A HA -0.095 4.225 4.320 0.001 0.000 0.217 176 A C 2.369 179.953 177.584 0.000 0.000 1.186 176 A CA 1.032 53.097 52.037 0.047 0.000 0.624 176 A CB -0.848 18.199 19.000 0.078 0.000 0.822 176 A HN 0.221 nan 8.150 nan 0.000 0.444 177 L N -0.860 120.352 121.223 -0.019 0.000 2.046 177 L HA -0.205 4.135 4.340 0.001 0.000 0.208 177 L C 2.681 179.541 176.870 -0.017 0.000 1.077 177 L CA 1.981 56.802 54.840 -0.030 0.000 0.747 177 L CB -0.378 41.659 42.059 -0.036 0.000 0.896 177 L HN 0.489 nan 8.230 nan 0.000 0.432 178 K N -0.114 120.282 120.400 -0.008 0.000 2.148 178 K HA -0.119 4.201 4.320 0.001 0.000 0.204 178 K C 1.949 178.547 176.600 -0.004 0.000 1.050 178 K CA 0.958 57.242 56.287 -0.005 0.000 0.942 178 K CB 0.166 32.665 32.500 -0.002 0.000 0.724 178 K HN 0.084 nan 8.250 nan 0.000 0.446 179 V N 1.133 121.047 119.914 -0.000 0.000 2.427 179 V HA -0.176 3.944 4.120 0.001 0.000 0.248 179 V C 2.059 178.151 176.094 -0.004 0.000 1.051 179 V CA 1.706 64.006 62.300 0.000 0.000 1.048 179 V CB 0.203 32.030 31.823 0.007 0.000 0.666 179 V HN 0.407 nan 8.190 nan 0.000 0.456 180 V N -1.825 118.085 119.914 -0.008 0.000 3.649 180 V HA 0.558 4.678 4.120 0.001 0.000 0.275 180 V C 1.486 177.572 176.094 -0.014 0.000 1.281 180 V CA 0.665 62.958 62.300 -0.012 0.000 1.143 180 V CB -0.498 31.314 31.823 -0.018 0.000 0.892 180 V HN 0.673 nan 8.190 nan 0.000 0.441 181 G N 0.511 109.304 108.800 -0.013 0.000 2.143 181 G HA2 -0.271 3.689 3.960 0.001 0.000 0.248 181 G HA3 -0.271 3.689 3.960 0.001 0.000 0.248 181 G C 0.112 175.002 174.900 -0.016 0.000 0.991 181 G CA 0.624 45.716 45.100 -0.012 0.000 0.689 181 G HN 0.652 nan 8.290 nan 0.000 0.522 182 K N 0.099 120.486 120.400 -0.021 0.000 2.098 182 K HA 0.553 4.873 4.320 0.001 0.000 0.258 182 K C 0.231 176.817 176.600 -0.024 0.000 0.973 182 K CA -0.653 55.619 56.287 -0.025 0.000 0.898 182 K CB 1.211 33.691 32.500 -0.034 0.000 1.057 182 K HN 0.100 nan 8.250 nan 0.000 0.447 183 K N 2.082 122.468 120.400 -0.023 0.000 2.159 183 K HA 0.213 4.533 4.320 0.001 0.000 0.266 183 K C 1.026 177.610 176.600 -0.027 0.000 0.975 183 K CA -0.334 55.940 56.287 -0.021 0.000 0.865 183 K CB 1.653 34.144 32.500 -0.015 0.000 1.087 183 K HN 0.577 nan 8.250 nan 0.000 0.446 184 I N 2.065 122.619 120.570 -0.026 0.000 2.236 184 I HA -0.366 3.804 4.170 0.001 0.000 0.249 184 I C 1.941 178.040 176.117 -0.030 0.000 1.102 184 I CA 1.995 63.276 61.300 -0.032 0.000 1.365 184 I CB 0.133 38.118 38.000 -0.025 0.000 1.051 184 I HN 0.702 nan 8.210 nan 0.000 0.420 185 S N -0.997 114.690 115.700 -0.022 0.000 2.603 185 S HA 0.009 4.480 4.470 0.001 0.000 0.220 185 S C 1.302 175.890 174.600 -0.021 0.000 0.967 185 S CA 0.268 58.456 58.200 -0.019 0.000 0.920 185 S CB -0.195 62.998 63.200 -0.013 0.000 0.773 185 S HN 0.596 nan 8.310 nan 0.000 0.529 186 E N 1.050 121.236 120.200 -0.024 0.000 2.498 186 E HA 0.305 4.655 4.350 0.001 0.000 0.203 186 E C 0.518 177.100 176.600 -0.029 0.000 1.013 186 E CA -0.243 56.143 56.400 -0.023 0.000 0.927 186 E CB 0.376 30.064 29.700 -0.020 0.000 1.012 186 E HN 0.780 nan 8.360 nan 0.000 0.482 187 I N -1.712 118.836 120.570 -0.037 0.000 2.677 187 I HA 0.382 4.552 4.170 0.001 0.000 0.305 187 I C -0.067 176.024 176.117 -0.044 0.000 0.988 187 I CA -0.629 60.644 61.300 -0.045 0.000 1.260 187 I CB 1.550 39.513 38.000 -0.062 0.000 1.410 187 I HN -0.340 nan 8.210 nan 0.000 0.523 188 T N 5.468 119.995 114.554 -0.044 0.000 2.771 188 T HA 0.581 4.931 4.350 0.001 0.000 0.281 188 T C -0.653 174.019 174.700 -0.047 0.000 0.982 188 T CA -0.325 61.751 62.100 -0.039 0.000 0.978 188 T CB 1.268 70.118 68.868 -0.030 0.000 0.930 188 T HN 0.488 nan 8.240 nan 0.000 0.447 189 L N 3.362 124.558 121.223 -0.044 0.000 2.365 189 L HA 0.863 5.203 4.340 0.001 0.000 0.273 189 L C -0.722 176.140 176.870 -0.012 0.000 1.000 189 L CA -0.611 54.200 54.840 -0.048 0.000 0.819 189 L CB 1.415 43.437 42.059 -0.062 0.000 1.284 189 L HN 0.667 nan 8.230 nan 0.000 0.418 190 A N 5.133 127.957 122.820 0.007 0.000 2.258 190 A HA 0.647 4.967 4.320 0.001 0.000 0.316 190 A C -1.308 176.360 177.584 0.141 0.000 1.279 190 A CA -0.403 51.701 52.037 0.112 0.000 0.876 190 A CB 0.576 19.678 19.000 0.170 0.000 1.170 190 A HN 0.712 nan 8.150 nan 0.000 0.520 191 L N 3.847 125.192 121.223 0.204 0.000 2.294 191 L HA 0.672 5.012 4.340 0.001 0.000 0.283 191 L C -1.640 175.475 176.870 0.409 0.000 1.015 191 L CA -0.387 54.586 54.840 0.221 0.000 0.831 191 L CB 0.386 42.512 42.059 0.112 0.000 1.217 191 L HN 0.495 nan 8.230 nan 0.000 0.420 192 F N 4.737 124.706 119.950 0.032 0.000 2.375 192 F HA 0.735 5.262 4.527 0.001 0.000 0.362 192 F C 1.049 176.925 175.800 0.126 0.000 1.129 192 F CA -0.671 57.358 58.000 0.048 0.000 1.154 192 F CB 0.629 39.652 39.000 0.038 0.000 1.205 192 F HN 0.681 nan 8.300 nan 0.000 0.513 193 G N 1.863 110.794 108.800 0.219 0.000 2.906 193 G HA2 0.385 4.345 3.960 0.001 0.000 0.686 193 G HA3 0.385 4.345 3.960 0.001 0.000 0.686 193 G C -0.520 174.453 174.900 0.121 0.000 1.170 193 G CA -0.525 44.686 45.100 0.186 0.000 0.775 193 G HN 1.091 nan 8.290 nan 0.000 0.630 194 A N 1.125 123.968 122.820 0.037 0.000 2.616 194 A HA 0.801 5.121 4.320 0.001 0.000 0.294 194 A C 1.307 178.974 177.584 0.138 0.000 1.091 194 A CA 1.172 53.222 52.037 0.021 0.000 0.971 194 A CB -0.073 18.767 19.000 -0.267 0.000 1.222 194 A HN 2.183 nan 8.150 nan 0.000 0.521 195 G N -1.244 107.658 108.800 0.171 0.000 2.494 195 G HA2 0.436 4.396 3.960 0.001 0.000 0.270 195 G HA3 0.436 4.396 3.960 0.001 0.000 0.270 195 G C 1.323 176.424 174.900 0.335 0.000 1.423 195 G CA 0.240 45.486 45.100 0.242 0.000 1.055 195 G HN 0.678 nan 8.290 nan 0.000 0.536 196 A N -0.492 122.413 122.820 0.142 0.000 1.869 196 A HA 0.010 4.331 4.320 0.001 0.000 0.218 196 A C 2.795 180.332 177.584 -0.078 0.000 1.203 196 A CA 3.361 55.376 52.037 -0.037 0.000 0.638 196 A CB -1.221 17.622 19.000 -0.260 0.000 0.831 196 A HN 1.363 nan 8.150 nan 0.000 0.450 197 A N -0.898 121.742 122.820 -0.300 0.000 1.858 197 A HA 0.136 4.456 4.320 0.001 0.000 0.216 197 A C 2.513 179.716 177.584 -0.635 0.000 1.190 197 A CA 2.143 53.797 52.037 -0.639 0.000 0.617 197 A CB -1.564 16.721 19.000 -1.192 0.000 0.827 197 A HN 0.863 nan 8.150 nan 0.000 0.443 198 G N -1.395 107.108 108.800 -0.495 0.000 2.459 198 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 198 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 198 G C 1.499 176.434 174.900 0.059 0.000 1.183 198 G CA 1.237 46.310 45.100 -0.046 0.000 0.776 198 G HN 0.444 nan 8.290 nan 0.000 0.552 199 F N 2.362 122.308 119.950 -0.006 0.000 2.146 199 F HA 0.139 4.666 4.527 0.001 0.000 0.298 199 F C 2.812 178.628 175.800 0.026 0.000 1.096 199 F CA 1.131 59.117 58.000 -0.023 0.000 1.275 199 F CB -0.322 38.635 39.000 -0.073 0.000 1.008 199 F HN 0.225 nan 8.300 nan 0.000 0.480 200 A N -0.818 122.049 122.820 0.078 0.000 1.933 200 A HA -0.170 4.151 4.320 0.001 0.000 0.218 200 A C 2.189 179.718 177.584 -0.092 0.000 1.175 200 A CA 2.230 54.265 52.037 -0.003 0.000 0.628 200 A CB -1.363 17.649 19.000 0.020 0.000 0.814 200 A HN 0.422 nan 8.150 nan 0.000 0.444 201 T N -0.092 114.421 114.554 -0.067 0.000 2.777 201 T HA -0.094 4.256 4.350 0.001 0.000 0.266 201 T C 1.823 176.480 174.700 -0.073 0.000 1.040 201 T CA 1.373 63.470 62.100 -0.005 0.000 1.141 201 T CB -0.328 68.624 68.868 0.139 0.000 0.868 201 T HN 0.330 nan 8.240 nan 0.000 0.444 202 L N 1.447 122.571 121.223 -0.166 0.000 2.042 202 L HA -0.032 4.309 4.340 0.001 0.000 0.210 202 L C 2.506 179.185 176.870 -0.317 0.000 1.076 202 L CA 1.789 56.480 54.840 -0.248 0.000 0.749 202 L CB -0.431 41.417 42.059 -0.351 0.000 0.893 202 L HN 0.086 nan 8.230 nan 0.000 0.432 203 R N -0.698 119.534 120.500 -0.446 0.000 2.066 203 R HA -0.127 4.213 4.340 0.001 0.000 0.232 203 R C 2.163 178.405 176.300 -0.096 0.000 1.131 203 R CA 1.644 57.559 56.100 -0.308 0.000 0.955 203 R CB -0.183 29.943 30.300 -0.289 0.000 0.851 203 R HN 0.333 nan 8.270 nan 0.000 0.432 204 I N 1.184 121.715 120.570 -0.065 0.000 2.202 204 I HA -0.226 3.944 4.170 0.001 0.000 0.242 204 I C 2.271 178.384 176.117 -0.008 0.000 1.091 204 I CA 1.019 62.317 61.300 -0.004 0.000 1.368 204 I CB -1.015 36.997 38.000 0.020 0.000 1.058 204 I HN 0.232 nan 8.210 nan 0.000 0.410 205 L N 0.581 121.787 121.223 -0.028 0.000 2.046 205 L HA -0.207 4.133 4.340 0.001 0.000 0.208 205 L C 2.789 179.638 176.870 -0.034 0.000 1.077 205 L CA 2.288 57.113 54.840 -0.026 0.000 0.747 205 L CB -1.219 40.820 42.059 -0.034 0.000 0.896 205 L HN 0.408 nan 8.230 nan 0.000 0.432 206 T N -3.606 110.916 114.554 -0.054 0.000 2.777 206 T HA -0.221 4.130 4.350 0.001 0.000 0.266 206 T C 1.783 176.478 174.700 -0.008 0.000 1.040 206 T CA 1.159 63.234 62.100 -0.043 0.000 1.141 206 T CB -0.423 68.403 68.868 -0.070 0.000 0.868 206 T HN 0.204 nan 8.240 nan 0.000 0.444 207 E N 2.158 122.362 120.200 0.007 0.000 2.267 207 E HA 0.029 4.379 4.350 0.001 0.000 0.197 207 E C 2.028 178.641 176.600 0.021 0.000 0.998 207 E CA 1.089 57.507 56.400 0.030 0.000 0.830 207 E CB -0.738 28.990 29.700 0.047 0.000 0.751 207 E HN 0.680 nan 8.360 nan 0.000 0.491 208 A N -1.216 121.611 122.820 0.011 0.000 2.169 208 A HA 0.387 4.707 4.320 0.001 0.000 0.212 208 A C 1.781 179.366 177.584 0.002 0.000 1.153 208 A CA 0.988 53.030 52.037 0.010 0.000 0.756 208 A CB -0.069 18.936 19.000 0.009 0.000 0.813 208 A HN 0.450 nan 8.150 nan 0.000 0.471 209 G N -2.133 106.665 108.800 -0.002 0.000 2.813 209 G HA2 -0.101 3.859 3.960 0.001 0.000 0.194 209 G HA3 -0.101 3.859 3.960 0.001 0.000 0.194 209 G C 0.107 174.998 174.900 -0.015 0.000 1.010 209 G CA -0.070 45.026 45.100 -0.006 0.000 0.771 209 G HN 0.533 nan 8.290 nan 0.000 0.485 210 V N 2.660 122.560 119.914 -0.023 0.000 2.540 210 V HA 0.206 4.327 4.120 0.001 0.000 0.297 210 V C 0.837 176.912 176.094 -0.031 0.000 1.024 210 V CA 0.359 62.639 62.300 -0.033 0.000 1.105 210 V CB 1.042 32.839 31.823 -0.045 0.000 0.938 210 V HN 0.299 nan 8.190 nan 0.000 0.482 211 K N 7.051 127.434 120.400 -0.029 0.000 2.378 211 K HA 0.157 4.477 4.320 0.001 0.000 0.288 211 K C -1.592 174.987 176.600 -0.036 0.000 1.057 211 K CA -1.275 54.997 56.287 -0.025 0.000 0.971 211 K CB 0.924 33.411 32.500 -0.021 0.000 0.975 211 K HN 0.405 nan 8.250 nan 0.000 0.475 212 P HA -0.287 nan 4.420 nan 0.000 0.216 212 P C 0.997 178.268 177.300 -0.049 0.000 1.154 212 P CA 1.307 64.373 63.100 -0.057 0.000 0.865 212 P CB 0.174 31.840 31.700 -0.056 0.000 0.789 213 E N -0.812 119.367 120.200 -0.034 0.000 2.265 213 E HA -0.168 4.182 4.350 0.001 0.000 0.196 213 E C 0.776 177.357 176.600 -0.031 0.000 0.996 213 E CA 1.127 57.509 56.400 -0.030 0.000 0.832 213 E CB -1.139 28.549 29.700 -0.020 0.000 0.756 213 E HN 0.284 nan 8.360 nan 0.000 0.491 214 N N 1.035 119.716 118.700 -0.032 0.000 2.362 214 N HA 0.089 4.829 4.740 0.001 0.000 0.204 214 N C -0.541 174.948 175.510 -0.035 0.000 1.166 214 N CA 0.109 53.140 53.050 -0.031 0.000 0.831 214 N CB 0.968 39.436 38.487 -0.030 0.000 1.008 214 N HN 0.005 nan 8.380 nan 0.000 0.472 215 V N 1.123 121.013 119.914 -0.040 0.000 2.513 215 V HA 0.389 4.509 4.120 0.001 0.000 0.299 215 V C 0.031 176.103 176.094 -0.037 0.000 1.035 215 V CA -0.846 61.430 62.300 -0.040 0.000 0.889 215 V CB 1.958 33.749 31.823 -0.052 0.000 0.988 215 V HN -0.048 nan 8.190 nan 0.000 0.440 216 R N 2.963 123.449 120.500 -0.023 0.000 2.288 216 R HA 0.621 4.961 4.340 0.001 0.000 0.326 216 R C -0.954 175.333 176.300 -0.023 0.000 0.959 216 R CA -0.287 55.795 56.100 -0.030 0.000 0.834 216 R CB 1.581 31.868 30.300 -0.023 0.000 1.157 216 R HN 0.533 nan 8.270 nan 0.000 0.470 217 V N 4.018 123.897 119.914 -0.057 0.000 2.439 217 V HA 0.384 4.504 4.120 0.001 0.000 0.282 217 V C -0.116 175.901 176.094 -0.130 0.000 1.039 217 V CA -0.797 61.461 62.300 -0.069 0.000 0.913 217 V CB 1.817 33.578 31.823 -0.104 0.000 0.983 217 V HN 0.407 nan 8.190 nan 0.000 0.460 218 V N 4.379 124.192 119.914 -0.170 0.000 2.398 218 V HA 0.678 4.799 4.120 0.001 0.000 0.286 218 V C -0.217 175.749 176.094 -0.214 0.000 1.026 218 V CA -0.280 61.842 62.300 -0.297 0.000 0.868 218 V CB 1.606 33.009 31.823 -0.699 0.000 0.982 218 V HN 1.014 nan 8.190 nan 0.000 0.443 219 E N 3.362 123.468 120.200 -0.157 0.000 2.433 219 E HA 0.535 4.885 4.350 0.001 0.000 0.278 219 E C -1.365 175.251 176.600 0.026 0.000 0.976 219 E CA -0.729 55.630 56.400 -0.069 0.000 0.793 219 E CB 1.675 31.266 29.700 -0.181 0.000 1.311 219 E HN 0.526 nan 8.360 nan 0.000 0.460 220 L N 1.919 123.201 121.223 0.098 0.000 2.418 220 L HA 0.367 4.708 4.340 0.001 0.000 0.274 220 L C -0.617 176.326 176.870 0.121 0.000 1.135 220 L CA -0.469 54.424 54.840 0.088 0.000 0.870 220 L CB 0.381 42.490 42.059 0.082 0.000 1.154 220 L HN 0.239 nan 8.230 nan 0.000 0.462 221 V N 4.323 124.274 119.914 0.062 0.000 2.447 221 V HA 0.277 4.397 4.120 0.001 0.000 0.292 221 V C 0.076 176.172 176.094 0.004 0.000 1.021 221 V CA -0.676 61.647 62.300 0.039 0.000 0.850 221 V CB 1.267 33.118 31.823 0.047 0.000 1.005 221 V HN 0.903 nan 8.190 nan 0.000 0.426 222 N N 4.097 122.791 118.700 -0.011 0.000 2.780 222 N HA -0.203 4.537 4.740 0.001 0.000 0.248 222 N C 1.146 176.652 175.510 -0.007 0.000 1.102 222 N CA 1.462 54.503 53.050 -0.016 0.000 0.697 222 N CB -1.012 37.465 38.487 -0.018 0.000 1.028 222 N HN 1.494 nan 8.380 nan 0.000 0.554 223 G N -0.776 108.024 108.800 0.001 0.000 2.241 223 G HA2 -0.348 3.612 3.960 0.001 0.000 0.244 223 G HA3 -0.348 3.612 3.960 0.001 0.000 0.244 223 G C -0.048 174.857 174.900 0.009 0.000 0.998 223 G CA 1.029 46.133 45.100 0.007 0.000 0.621 223 G HN 0.783 nan 8.290 nan 0.000 0.519 224 K N 0.410 120.811 120.400 0.002 0.000 2.328 224 K HA 0.717 5.038 4.320 0.001 0.000 0.246 224 K C -3.230 173.358 176.600 -0.021 0.000 0.955 224 K CA -2.397 53.887 56.287 -0.006 0.000 0.817 224 K CB 3.207 35.699 32.500 -0.013 0.000 1.208 224 K HN 0.034 nan 8.250 nan 0.000 0.432 225 P HA 0.161 nan 4.420 nan 0.000 0.276 225 P C -1.098 176.120 177.300 -0.136 0.000 1.253 225 P CA -0.191 62.849 63.100 -0.100 0.000 0.766 225 P CB 0.595 32.214 31.700 -0.136 0.000 0.845 226 R N 2.674 123.096 120.500 -0.130 0.000 2.707 226 R HA 0.499 4.839 4.340 0.001 0.000 0.272 226 R C -0.073 176.145 176.300 -0.138 0.000 1.011 226 R CA -1.228 54.794 56.100 -0.130 0.000 0.893 226 R CB 1.777 32.033 30.300 -0.073 0.000 1.233 226 R HN 0.404 nan 8.270 nan 0.000 0.464 227 I N 3.382 123.868 120.570 -0.140 0.000 2.587 227 I HA 0.015 4.185 4.170 0.001 0.000 0.284 227 I C 0.646 176.717 176.117 -0.078 0.000 1.134 227 I CA 0.047 61.273 61.300 -0.122 0.000 1.410 227 I CB 0.171 38.107 38.000 -0.106 0.000 1.392 227 I HN 0.264 nan 8.210 nan 0.000 0.545 228 L N 6.831 128.010 121.223 -0.074 0.000 2.485 228 L HA 0.146 4.487 4.340 0.001 0.000 0.275 228 L C 0.615 177.469 176.870 -0.027 0.000 1.207 228 L CA 0.163 54.983 54.840 -0.032 0.000 0.855 228 L CB 0.130 42.155 42.059 -0.056 0.000 1.114 228 L HN 0.689 nan 8.230 nan 0.000 0.485 229 T N -2.574 111.977 114.554 -0.005 0.000 2.907 229 T HA 0.240 4.590 4.350 0.001 0.000 0.292 229 T C 0.824 175.524 174.700 -0.000 0.000 1.043 229 T CA -0.282 61.811 62.100 -0.011 0.000 1.003 229 T CB 1.755 70.614 68.868 -0.015 0.000 1.084 229 T HN 0.595 nan 8.240 nan 0.000 0.483 230 S N 0.359 116.056 115.700 -0.005 0.000 2.469 230 S HA -0.165 4.305 4.470 0.001 0.000 0.238 230 S C 1.416 176.016 174.600 -0.001 0.000 0.998 230 S CA 1.113 59.312 58.200 -0.001 0.000 0.957 230 S CB -0.691 62.507 63.200 -0.004 0.000 0.764 230 S HN 0.898 nan 8.310 nan 0.000 0.514 231 D N 1.140 121.537 120.400 -0.004 0.000 2.347 231 D HA 0.000 4.641 4.640 0.001 0.000 0.215 231 D C 0.626 176.921 176.300 -0.007 0.000 0.976 231 D CA 0.095 54.091 54.000 -0.007 0.000 0.884 231 D CB -0.225 40.569 40.800 -0.010 0.000 0.915 231 D HN 0.411 nan 8.370 nan 0.000 0.526 232 L N 1.021 122.244 121.223 -0.001 0.000 2.375 232 L HA 0.151 4.492 4.340 0.001 0.000 0.271 232 L C 0.568 177.434 176.870 -0.006 0.000 1.107 232 L CA -0.705 54.134 54.840 -0.002 0.000 0.806 232 L CB 1.090 43.162 42.059 0.022 0.000 1.146 232 L HN -0.184 nan 8.230 nan 0.000 0.447 233 D N 2.609 122.992 120.400 -0.029 0.000 2.508 233 D HA 0.095 4.735 4.640 0.001 0.000 0.224 233 D C 1.173 177.447 176.300 -0.043 0.000 1.171 233 D CA 0.072 54.049 54.000 -0.038 0.000 1.006 233 D CB 0.467 41.232 40.800 -0.059 0.000 1.073 233 D HN 0.429 nan 8.370 nan 0.000 0.513 234 L N 1.661 122.889 121.223 0.009 0.000 2.081 234 L HA -0.195 4.145 4.340 0.001 0.000 0.212 234 L C 2.176 179.065 176.870 0.032 0.000 1.080 234 L CA 1.090 55.977 54.840 0.078 0.000 0.754 234 L CB -0.251 41.870 42.059 0.103 0.000 0.893 234 L HN 0.302 nan 8.230 nan 0.000 0.433 235 E N 0.762 120.950 120.200 -0.019 0.000 2.150 235 E HA -0.222 4.128 4.350 0.001 0.000 0.193 235 E C 2.093 178.612 176.600 -0.134 0.000 0.985 235 E CA 1.291 57.655 56.400 -0.059 0.000 0.814 235 E CB 0.006 29.681 29.700 -0.041 0.000 0.752 235 E HN 0.271 nan 8.360 nan 0.000 0.466 236 K N -0.289 120.026 120.400 -0.142 0.000 2.116 236 K HA -0.006 4.315 4.320 0.001 0.000 0.203 236 K C 2.016 178.454 176.600 -0.271 0.000 1.052 236 K CA 0.912 57.091 56.287 -0.180 0.000 0.952 236 K CB -0.032 32.383 32.500 -0.142 0.000 0.729 236 K HN 0.200 nan 8.250 nan 0.000 0.446 237 L N -0.116 120.877 121.223 -0.384 0.000 2.131 237 L HA -0.006 4.335 4.340 0.001 0.000 0.206 237 L C 0.242 176.453 176.870 -1.099 0.000 1.087 237 L CA 0.611 54.997 54.840 -0.758 0.000 0.767 237 L CB 0.117 41.608 42.059 -0.947 0.000 0.917 237 L HN 0.050 nan 8.230 nan 0.000 0.441 238 F N -0.528 119.348 119.950 -0.124 0.000 2.660 238 F HA 0.388 4.915 4.527 0.001 0.000 0.352 238 F C -2.356 173.308 175.800 -0.228 0.000 1.257 238 F CA -2.975 54.928 58.000 -0.161 0.000 1.200 238 F CB -0.099 38.789 39.000 -0.187 0.000 1.473 238 F HN -0.278 nan 8.300 nan 0.000 0.561 239 P HA -0.042 nan 4.420 nan 0.000 0.265 239 P C -0.360 176.746 177.300 -0.324 0.000 1.187 239 P CA 0.791 63.663 63.100 -0.380 0.000 0.766 239 P CB 0.204 31.596 31.700 -0.514 0.000 0.820 240 Y N 0.244 120.525 120.300 -0.031 0.000 4.897 240 Y HA -0.280 4.271 4.550 0.001 0.000 0.263 240 Y C 1.324 177.138 175.900 -0.143 0.000 0.945 240 Y CA 1.374 59.467 58.100 -0.011 0.000 1.858 240 Y CB -2.106 36.386 38.460 0.054 0.000 1.296 240 Y HN 0.463 nan 8.280 nan 0.000 0.490 241 R N -0.494 119.824 120.500 -0.302 0.000 2.476 241 R HA 0.378 4.718 4.340 0.001 0.000 0.276 241 R C 2.166 178.229 176.300 -0.395 0.000 0.941 241 R CA 0.490 56.103 56.100 -0.811 0.000 1.088 241 R CB 0.182 29.564 30.300 -1.531 0.000 1.216 241 R HN 0.320 nan 8.270 nan 0.000 0.533 242 G N 1.895 110.632 108.800 -0.105 0.000 2.422 242 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 242 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 242 G C 1.232 176.126 174.900 -0.010 0.000 1.146 242 G CA 0.655 45.737 45.100 -0.031 0.000 0.769 242 G HN 0.523 nan 8.290 nan 0.000 0.547 243 W N 0.386 121.712 121.300 0.042 0.000 2.313 243 W HA -0.081 4.579 4.660 0.001 0.000 0.293 243 W C 1.551 178.130 176.519 0.100 0.000 1.216 243 W CA 1.017 58.404 57.345 0.071 0.000 1.223 243 W CB -0.872 28.639 29.460 0.084 0.000 1.138 243 W HN 0.240 nan 8.180 nan 0.000 0.535 244 L N 0.618 121.307 121.223 -0.890 0.000 2.425 244 L HA 0.230 4.570 4.340 0.001 0.000 0.215 244 L C 2.496 179.160 176.870 -0.344 0.000 1.065 244 L CA 0.926 55.265 54.840 -0.834 0.000 0.842 244 L CB -0.834 40.371 42.059 -1.423 0.000 1.033 244 L HN -0.148 nan 8.230 nan 0.000 0.474 245 L N -0.299 120.792 121.223 -0.219 0.000 2.083 245 L HA -0.178 4.162 4.340 0.001 0.000 0.209 245 L C 2.098 178.917 176.870 -0.087 0.000 1.083 245 L CA 1.217 55.983 54.840 -0.123 0.000 0.752 245 L CB -0.471 41.523 42.059 -0.107 0.000 0.899 245 L HN 0.198 nan 8.230 nan 0.000 0.433 246 K N 0.079 120.442 120.400 -0.063 0.000 2.515 246 K HA -0.105 4.216 4.320 0.001 0.000 0.196 246 K C 1.477 178.063 176.600 -0.024 0.000 1.038 246 K CA 0.701 56.974 56.287 -0.022 0.000 0.967 246 K CB 0.080 32.586 32.500 0.010 0.000 0.780 246 K HN 0.291 nan 8.250 nan 0.000 0.483 247 K N 0.452 120.821 120.400 -0.051 0.000 2.358 247 K HA 0.010 4.330 4.320 0.001 0.000 0.197 247 K C 0.643 177.212 176.600 -0.052 0.000 1.025 247 K CA 0.218 56.481 56.287 -0.040 0.000 1.104 247 K CB 0.789 33.265 32.500 -0.041 0.000 0.855 247 K HN 0.172 nan 8.250 nan 0.000 0.531 248 T N -1.170 113.345 114.554 -0.065 0.000 2.881 248 T HA 0.154 4.504 4.350 0.001 0.000 0.278 248 T C 0.275 174.947 174.700 -0.047 0.000 0.982 248 T CA -0.702 61.360 62.100 -0.063 0.000 0.989 248 T CB 0.915 69.736 68.868 -0.080 0.000 1.058 248 T HN 0.157 nan 8.240 nan 0.000 0.529 249 N N -0.216 118.458 118.700 -0.044 0.000 2.614 249 N HA -0.129 4.612 4.740 0.001 0.000 0.276 249 N C 0.989 176.482 175.510 -0.029 0.000 1.119 249 N CA 0.911 53.939 53.050 -0.037 0.000 0.742 249 N CB -1.155 37.308 38.487 -0.041 0.000 0.900 249 N HN 0.994 nan 8.380 nan 0.000 0.549 250 G N 0.757 109.542 108.800 -0.025 0.000 2.443 250 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 250 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 250 G C 0.988 175.877 174.900 -0.017 0.000 1.131 250 G CA 0.846 45.934 45.100 -0.019 0.000 0.775 250 G HN 0.668 nan 8.290 nan 0.000 0.547 251 E N -0.076 120.113 120.200 -0.020 0.000 2.478 251 E HA 0.043 4.393 4.350 0.001 0.000 0.194 251 E C 0.481 177.069 176.600 -0.020 0.000 1.045 251 E CA -0.272 56.117 56.400 -0.018 0.000 0.868 251 E CB 0.164 29.853 29.700 -0.019 0.000 0.885 251 E HN 0.179 nan 8.360 nan 0.000 0.505 252 N N 0.928 119.614 118.700 -0.023 0.000 2.783 252 N HA -0.178 4.562 4.740 0.001 0.000 0.247 252 N C -0.750 174.742 175.510 -0.029 0.000 1.089 252 N CA 0.535 53.570 53.050 -0.025 0.000 0.690 252 N CB -1.325 37.150 38.487 -0.020 0.000 0.991 252 N HN 0.244 nan 8.380 nan 0.000 0.552 253 I N 0.999 121.549 120.570 -0.034 0.000 2.710 253 I HA -0.087 4.083 4.170 0.001 0.000 0.286 253 I C 0.969 177.057 176.117 -0.048 0.000 1.181 253 I CA 0.809 62.086 61.300 -0.040 0.000 1.430 253 I CB 0.402 38.376 38.000 -0.042 0.000 1.367 253 I HN 0.045 nan 8.210 nan 0.000 0.577 254 E N 3.647 123.817 120.200 -0.050 0.000 2.244 254 E HA 0.778 5.129 4.350 0.001 0.000 0.266 254 E C 0.032 176.589 176.600 -0.073 0.000 0.914 254 E CA -0.702 55.664 56.400 -0.056 0.000 0.794 254 E CB 2.216 31.889 29.700 -0.044 0.000 1.210 254 E HN 0.821 nan 8.360 nan 0.000 0.414 255 G N 0.284 109.032 108.800 -0.087 0.000 2.302 255 G HA2 0.300 4.261 3.960 0.001 0.000 0.276 255 G HA3 0.300 4.261 3.960 0.001 0.000 0.276 255 G C -0.437 174.372 174.900 -0.152 0.000 1.316 255 G CA -0.506 44.527 45.100 -0.112 0.000 0.988 255 G HN 0.725 nan 8.290 nan 0.000 0.479 256 G N -0.956 107.722 108.800 -0.204 0.000 2.990 256 G HA2 0.686 4.646 3.960 0.001 0.000 0.208 256 G HA3 0.686 4.646 3.960 0.001 0.000 0.208 256 G C -1.283 173.383 174.900 -0.390 0.000 1.334 256 G CA -0.056 44.880 45.100 -0.272 0.000 1.024 256 G HN 0.520 nan 8.290 nan 0.000 0.574 257 P HA -0.187 nan 4.420 nan 0.000 0.216 257 P C 1.782 178.752 177.300 -0.550 0.000 1.154 257 P CA 1.840 64.585 63.100 -0.591 0.000 0.865 257 P CB 0.137 31.526 31.700 -0.519 0.000 0.789 258 Q N -0.079 119.133 119.800 -0.981 0.000 2.020 258 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 258 Q C 1.873 177.651 176.000 -0.370 0.000 0.982 258 Q CA 1.744 56.977 55.803 -0.950 0.000 0.838 258 Q CB -0.385 27.668 28.738 -1.142 0.000 0.899 258 Q HN 0.115 nan 8.270 nan 0.000 0.423 259 E N 0.628 120.651 120.200 -0.294 0.000 2.110 259 E HA -0.149 4.201 4.350 0.001 0.000 0.193 259 E C 1.780 178.313 176.600 -0.113 0.000 0.988 259 E CA 1.304 57.607 56.400 -0.162 0.000 0.804 259 E CB -0.346 29.268 29.700 -0.142 0.000 0.745 259 E HN 0.524 nan 8.360 nan 0.000 0.458 260 A N 0.229 122.974 122.820 -0.125 0.000 2.070 260 A HA -0.103 4.217 4.320 0.001 0.000 0.220 260 A C 2.016 179.615 177.584 0.025 0.000 1.159 260 A CA 0.937 52.946 52.037 -0.048 0.000 0.656 260 A CB -0.397 18.569 19.000 -0.058 0.000 0.800 260 A HN 0.218 nan 8.150 nan 0.000 0.453 261 L N -1.015 120.224 121.223 0.026 0.000 2.375 261 L HA 0.052 4.392 4.340 0.001 0.000 0.215 261 L C 1.192 178.076 176.870 0.023 0.000 1.108 261 L CA 0.108 54.981 54.840 0.054 0.000 0.830 261 L CB -0.160 41.961 42.059 0.103 0.000 0.959 261 L HN 0.273 nan 8.230 nan 0.000 0.457 262 K N 1.461 121.860 120.400 -0.002 0.000 2.453 262 K HA -0.106 4.214 4.320 0.001 0.000 0.280 262 K C -0.120 176.477 176.600 -0.004 0.000 1.045 262 K CA 0.348 56.635 56.287 -0.001 0.000 1.059 262 K CB 0.189 32.681 32.500 -0.015 0.000 0.901 262 K HN 0.128 nan 8.250 nan 0.000 0.475 263 D N 0.596 120.996 120.400 -0.001 0.000 3.059 263 D HA -0.210 4.431 4.640 0.001 0.000 0.220 263 D C -0.559 175.734 176.300 -0.013 0.000 1.169 263 D CA 1.314 55.309 54.000 -0.007 0.000 0.902 263 D CB -1.275 39.520 40.800 -0.010 0.000 1.116 263 D HN 0.616 nan 8.370 nan 0.000 0.417 264 A N 0.260 123.074 122.820 -0.011 0.000 2.316 264 A HA 0.358 4.678 4.320 0.001 0.000 0.284 264 A C 1.079 178.643 177.584 -0.033 0.000 1.115 264 A CA -0.253 51.772 52.037 -0.020 0.000 0.812 264 A CB 0.835 19.829 19.000 -0.011 0.000 1.064 264 A HN -0.037 nan 8.150 nan 0.000 0.489 265 D N 0.252 120.623 120.400 -0.048 0.000 2.277 265 D HA 0.126 4.766 4.640 0.001 0.000 0.209 265 D C 0.031 176.275 176.300 -0.094 0.000 0.970 265 D CA 1.239 55.202 54.000 -0.061 0.000 0.874 265 D CB 0.491 41.255 40.800 -0.061 0.000 0.982 265 D HN 0.264 nan 8.370 nan 0.000 0.504 266 V N 1.328 121.174 119.914 -0.114 0.000 2.876 266 V HA 0.417 4.538 4.120 0.001 0.000 0.312 266 V C -0.940 175.053 176.094 -0.169 0.000 1.085 266 V CA -0.989 61.202 62.300 -0.181 0.000 0.945 266 V CB 2.913 34.594 31.823 -0.236 0.000 1.017 266 V HN -0.069 nan 8.190 nan 0.000 0.428 267 L N 4.903 125.994 121.223 -0.220 0.000 2.409 267 L HA 0.749 5.089 4.340 0.001 0.000 0.272 267 L C -1.181 175.532 176.870 -0.261 0.000 0.980 267 L CA 0.020 54.721 54.840 -0.232 0.000 0.826 267 L CB 1.526 43.433 42.059 -0.255 0.000 1.268 267 L HN 0.600 nan 8.230 nan 0.000 0.407 268 I N 3.865 124.290 120.570 -0.243 0.000 2.478 268 I HA 0.475 4.645 4.170 0.001 0.000 0.287 268 I C -0.634 175.305 176.117 -0.296 0.000 1.042 268 I CA -0.399 60.767 61.300 -0.223 0.000 1.067 268 I CB 2.068 39.995 38.000 -0.123 0.000 1.233 268 I HN 0.650 nan 8.210 nan 0.000 0.431 269 S N 5.581 121.016 115.700 -0.441 0.000 2.521 269 S HA 0.701 5.171 4.470 0.001 0.000 0.295 269 S C -1.029 173.286 174.600 -0.475 0.000 1.098 269 S CA -0.316 57.683 58.200 -0.336 0.000 0.999 269 S CB 0.868 63.865 63.200 -0.339 0.000 1.034 269 S HN 0.394 nan 8.310 nan 0.000 0.483 270 F N 2.898 122.914 119.950 0.109 0.000 2.564 270 F HA 0.277 4.805 4.527 0.001 0.000 0.329 270 F C 1.075 176.942 175.800 0.112 0.000 1.458 270 F CA -0.519 57.537 58.000 0.094 0.000 1.117 270 F CB 0.750 39.804 39.000 0.089 0.000 1.383 270 F HN 0.667 nan 8.300 nan 0.000 0.571 271 T N -2.208 112.484 114.554 0.229 0.000 2.766 271 T HA 0.529 4.879 4.350 0.001 0.000 0.245 271 T C 0.447 175.236 174.700 0.149 0.000 1.045 271 T CA -0.912 61.309 62.100 0.202 0.000 1.038 271 T CB 0.695 69.701 68.868 0.229 0.000 2.089 271 T HN 0.291 nan 8.240 nan 0.000 0.546 272 R N 1.479 122.056 120.500 0.129 0.000 2.459 272 R HA 0.546 4.886 4.340 0.001 0.000 0.281 272 R C -2.472 173.877 176.300 0.082 0.000 1.050 272 R CA -1.727 54.431 56.100 0.098 0.000 1.055 272 R CB 0.297 30.649 30.300 0.088 0.000 1.045 272 R HN 0.413 nan 8.270 nan 0.000 0.495 273 P HA 0.139 nan 4.420 nan 0.000 0.323 273 P C 0.027 177.353 177.300 0.043 0.000 1.319 273 P CA 0.375 63.506 63.100 0.051 0.000 0.741 273 P CB 0.018 31.746 31.700 0.048 0.000 1.545 274 G N -0.934 107.887 108.800 0.036 0.000 2.785 274 G HA2 -0.094 3.866 3.960 0.001 0.000 0.685 274 G HA3 -0.094 3.866 3.960 0.001 0.000 0.685 274 G C -2.837 172.075 174.900 0.020 0.000 1.480 274 G CA -0.462 44.655 45.100 0.028 0.000 0.915 274 G HN 0.627 nan 8.290 nan 0.000 0.576 275 P HA 0.476 nan 4.420 nan 0.000 0.278 275 P C 1.013 178.303 177.300 -0.017 0.000 1.266 275 P CA 1.267 64.363 63.100 -0.007 0.000 0.807 275 P CB 0.977 32.672 31.700 -0.008 0.000 1.094 276 G N -0.517 108.257 108.800 -0.043 0.000 2.162 276 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 276 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 276 G C 0.726 175.599 174.900 -0.046 0.000 0.976 276 G CA 0.242 45.303 45.100 -0.066 0.000 0.655 276 G HN 0.360 nan 8.290 nan 0.000 0.533 277 V N -0.006 119.908 119.914 -0.000 0.000 2.407 277 V HA 0.255 4.375 4.120 0.001 0.000 0.245 277 V C 1.543 177.713 176.094 0.127 0.000 1.041 277 V CA 1.653 63.998 62.300 0.074 0.000 1.040 277 V CB 0.004 31.885 31.823 0.096 0.000 0.671 277 V HN 0.450 nan 8.190 nan 0.000 0.455 278 I N 1.034 121.638 120.570 0.056 0.000 2.355 278 I HA 0.274 4.444 4.170 0.001 0.000 0.288 278 I C -0.126 175.857 176.117 -0.223 0.000 0.999 278 I CA -0.360 60.998 61.300 0.096 0.000 1.163 278 I CB 1.372 39.444 38.000 0.119 0.000 1.316 278 I HN 0.117 nan 8.210 nan 0.000 0.454 279 K N 7.240 127.185 120.400 -0.758 0.000 2.218 279 K HA 0.241 4.561 4.320 0.001 0.000 0.276 279 K C -1.830 174.470 176.600 -0.500 0.000 1.022 279 K CA -1.438 54.352 56.287 -0.828 0.000 0.946 279 K CB 0.868 32.502 32.500 -1.444 0.000 1.000 279 K HN 0.215 nan 8.250 nan 0.000 0.468 280 P HA -0.205 nan 4.420 nan 0.000 0.215 280 P C 0.855 178.081 177.300 -0.124 0.000 1.153 280 P CA 1.291 64.294 63.100 -0.162 0.000 0.853 280 P CB 0.268 31.888 31.700 -0.133 0.000 0.788 281 Q N -1.412 118.271 119.800 -0.195 0.000 2.118 281 Q HA -0.213 4.127 4.340 0.001 0.000 0.211 281 Q C 1.998 178.054 176.000 0.094 0.000 0.998 281 Q CA 1.710 57.463 55.803 -0.083 0.000 0.872 281 Q CB -1.285 27.379 28.738 -0.124 0.000 0.925 281 Q HN 0.389 nan 8.270 nan 0.000 0.414 282 W N -0.034 121.272 121.300 0.011 0.000 2.363 282 W HA -0.055 4.605 4.660 0.000 0.000 0.296 282 W C 1.791 178.314 176.519 0.006 0.000 1.212 282 W CA 0.271 57.627 57.345 0.018 0.000 1.260 282 W CB -0.843 28.642 29.460 0.043 0.000 1.131 282 W HN 0.149 nan 8.180 nan 0.000 0.530 283 I N 0.945 121.640 120.570 0.207 0.000 2.335 283 I HA -0.246 3.925 4.170 0.001 0.000 0.251 283 I C 1.828 177.986 176.117 0.069 0.000 1.129 283 I CA 1.314 62.674 61.300 0.101 0.000 1.402 283 I CB -1.549 36.471 38.000 0.034 0.000 1.069 283 I HN 0.170 nan 8.210 nan 0.000 0.424 284 E N 0.582 120.822 120.200 0.068 0.000 2.333 284 E HA -0.162 4.188 4.350 0.001 0.000 0.198 284 E C 0.689 177.319 176.600 0.049 0.000 1.007 284 E CA 0.785 57.212 56.400 0.045 0.000 0.845 284 E CB 0.028 29.751 29.700 0.038 0.000 0.766 284 E HN 0.398 nan 8.360 nan 0.000 0.507 288 E N 0.438 120.630 120.200 -0.012 0.000 2.390 288 E HA 0.087 4.438 4.350 0.001 0.000 0.261 288 E C -0.767 175.822 176.600 -0.017 0.000 1.076 288 E CA 0.155 56.548 56.400 -0.012 0.000 0.905 288 E CB 0.265 29.958 29.700 -0.010 0.000 0.984 288 E HN 0.397 nan 8.360 nan 0.000 0.427 289 D N 0.472 120.862 120.400 -0.016 0.000 2.699 289 D HA -0.198 4.442 4.640 0.001 0.000 0.239 289 D C -0.715 175.569 176.300 -0.028 0.000 1.136 289 D CA 0.844 54.833 54.000 -0.019 0.000 0.668 289 D CB -1.507 39.281 40.800 -0.019 0.000 1.060 289 D HN 0.493 nan 8.370 nan 0.000 0.429 290 A N 0.214 123.017 122.820 -0.028 0.000 2.483 290 A HA 0.464 4.784 4.320 0.001 0.000 0.238 290 A C 0.694 178.250 177.584 -0.046 0.000 1.070 290 A CA 0.156 52.168 52.037 -0.040 0.000 0.770 290 A CB 0.537 19.517 19.000 -0.032 0.000 1.008 290 A HN 0.354 nan 8.150 nan 0.000 0.497 291 I N 2.275 122.795 120.570 -0.083 0.000 2.382 291 I HA 0.332 4.502 4.170 0.001 0.000 0.286 291 I C -0.825 175.220 176.117 -0.120 0.000 1.002 291 I CA -0.518 60.722 61.300 -0.099 0.000 1.135 291 I CB 1.857 39.730 38.000 -0.211 0.000 1.288 291 I HN 0.273 nan 8.210 nan 0.000 0.448 292 V N 6.971 126.898 119.914 0.020 0.000 2.409 292 V HA 0.375 4.495 4.120 0.001 0.000 0.291 292 V C -0.704 175.579 176.094 0.316 0.000 1.020 292 V CA -0.421 61.903 62.300 0.041 0.000 0.848 292 V CB 1.592 33.404 31.823 -0.017 0.000 0.990 292 V HN 0.401 nan 8.190 nan 0.000 0.430 293 F N 6.615 126.448 119.950 -0.195 0.000 2.389 293 F HA 0.393 4.920 4.527 0.001 0.000 0.327 293 F C -2.160 173.472 175.800 -0.281 0.000 1.204 293 F CA -3.370 54.501 58.000 -0.214 0.000 1.209 293 F CB 1.399 40.272 39.000 -0.212 0.000 1.460 293 F HN 0.322 nan 8.300 nan 0.000 0.537 294 P HA 0.166 nan 4.420 nan 0.000 0.260 294 P C 0.356 177.558 177.300 -0.163 0.000 1.651 294 P CA 0.165 63.169 63.100 -0.159 0.000 1.139 294 P CB 0.403 32.023 31.700 -0.132 0.000 1.756 295 L N 1.387 122.468 121.223 -0.236 0.000 2.653 295 L HA 0.253 4.593 4.340 0.001 0.000 0.232 295 L C 1.337 178.180 176.870 -0.046 0.000 1.169 295 L CA -0.384 54.344 54.840 -0.188 0.000 0.951 295 L CB -0.280 41.580 42.059 -0.332 0.000 1.181 295 L HN 0.218 nan 8.230 nan 0.000 0.460 296 A N 0.484 123.293 122.820 -0.017 0.000 2.366 296 A HA 0.415 4.735 4.320 0.001 0.000 0.249 296 A C -0.191 177.426 177.584 0.055 0.000 1.084 296 A CA -0.068 52.005 52.037 0.059 0.000 0.794 296 A CB 0.200 19.237 19.000 0.061 0.000 1.034 296 A HN 0.443 nan 8.150 nan 0.000 0.491 297 N N 0.340 119.083 118.700 0.070 0.000 2.265 297 N HA 0.540 5.280 4.740 0.001 0.000 0.300 297 N C -2.151 173.389 175.510 0.050 0.000 1.148 297 N CA -1.319 51.765 53.050 0.056 0.000 0.772 297 N CB 2.113 40.634 38.487 0.056 0.000 1.434 297 N HN 0.454 nan 8.380 nan 0.000 0.481 298 P HA 0.055 nan 4.420 nan 0.000 0.235 298 P C -0.518 176.808 177.300 0.043 0.000 1.177 298 P CA 0.573 63.694 63.100 0.035 0.000 0.785 298 P CB 0.669 32.383 31.700 0.023 0.000 0.885 299 V N 3.546 123.488 119.914 0.047 0.000 2.459 299 V HA 0.333 4.453 4.120 0.001 0.000 0.295 299 V C -2.301 173.821 176.094 0.047 0.000 1.029 299 V CA -2.394 59.942 62.300 0.060 0.000 0.874 299 V CB 2.004 33.858 31.823 0.051 0.000 0.985 299 V HN -0.021 nan 8.190 nan 0.000 0.438 300 P HA 0.182 nan 4.420 nan 0.000 0.271 300 P C 0.274 177.565 177.300 -0.016 0.000 1.218 300 P CA -0.102 62.994 63.100 -0.008 0.000 0.780 300 P CB 1.332 32.999 31.700 -0.054 0.000 0.901 301 E N 1.419 121.608 120.200 -0.019 0.000 2.169 301 E HA -0.133 4.217 4.350 0.001 0.000 0.202 301 E C 0.864 177.449 176.600 -0.026 0.000 1.016 301 E CA 1.416 57.816 56.400 -0.001 0.000 0.817 301 E CB -0.219 29.488 29.700 0.011 0.000 0.736 301 E HN 0.476 nan 8.360 nan 0.000 0.462 302 I N -0.036 120.496 120.570 -0.063 0.000 2.607 302 I HA 0.169 4.340 4.170 0.001 0.000 0.290 302 I C -1.191 174.851 176.117 -0.126 0.000 1.129 302 I CA -0.894 60.354 61.300 -0.086 0.000 1.042 302 I CB 1.045 38.991 38.000 -0.091 0.000 1.242 302 I HN -0.142 nan 8.210 nan 0.000 0.421 303 L N 8.793 129.941 121.223 -0.124 0.000 2.490 303 L HA 0.167 4.507 4.340 0.001 0.000 0.274 303 L C -1.539 175.172 176.870 -0.265 0.000 1.201 303 L CA -1.160 53.561 54.840 -0.198 0.000 0.869 303 L CB 0.055 42.057 42.059 -0.095 0.000 1.123 303 L HN 0.497 nan 8.230 nan 0.000 0.484 304 P HA -0.245 nan 4.420 nan 0.000 0.218 304 P C 1.254 178.437 177.300 -0.197 0.000 1.154 304 P CA 1.189 64.070 63.100 -0.365 0.000 0.872 304 P CB 0.318 31.679 31.700 -0.565 0.000 0.790 305 E N -0.746 119.361 120.200 -0.154 0.000 2.152 305 E HA -0.178 4.172 4.350 0.001 0.000 0.192 305 E C 1.919 178.477 176.600 -0.071 0.000 0.983 305 E CA 0.992 57.345 56.400 -0.078 0.000 0.818 305 E CB -0.642 29.037 29.700 -0.035 0.000 0.758 305 E HN 0.065 nan 8.360 nan 0.000 0.467 306 E N -0.346 119.803 120.200 -0.084 0.000 2.150 306 E HA -0.036 4.315 4.350 0.001 0.000 0.193 306 E C 1.656 178.209 176.600 -0.078 0.000 0.985 306 E CA 1.237 57.592 56.400 -0.076 0.000 0.814 306 E CB -0.270 29.380 29.700 -0.083 0.000 0.752 306 E HN 0.275 nan 8.360 nan 0.000 0.466 307 A N 0.194 122.961 122.820 -0.088 0.000 1.975 307 A HA -0.040 4.280 4.320 0.001 0.000 0.215 307 A C 1.957 179.507 177.584 -0.056 0.000 1.170 307 A CA 1.029 53.022 52.037 -0.073 0.000 0.656 307 A CB -0.160 18.790 19.000 -0.084 0.000 0.821 307 A HN 0.102 nan 8.150 nan 0.000 0.449 308 K N -0.139 120.226 120.400 -0.059 0.000 2.062 308 K HA -0.085 4.236 4.320 0.001 0.000 0.205 308 K C 2.109 178.689 176.600 -0.034 0.000 1.051 308 K CA 1.317 57.578 56.287 -0.042 0.000 0.941 308 K CB -0.109 32.366 32.500 -0.042 0.000 0.719 308 K HN 0.420 nan 8.250 nan 0.000 0.440 309 K N 0.826 121.203 120.400 -0.037 0.000 2.209 309 K HA -0.102 4.218 4.320 0.001 0.000 0.204 309 K C 1.580 178.163 176.600 -0.029 0.000 1.048 309 K CA 1.222 57.490 56.287 -0.031 0.000 0.940 309 K CB 0.005 32.485 32.500 -0.034 0.000 0.729 309 K HN 0.093 nan 8.250 nan 0.000 0.451 310 A N -0.250 122.550 122.820 -0.033 0.000 2.238 310 A HA 0.210 4.531 4.320 0.001 0.000 0.208 310 A C 1.236 178.811 177.584 -0.015 0.000 1.177 310 A CA 0.848 52.870 52.037 -0.025 0.000 0.804 310 A CB -0.122 18.859 19.000 -0.032 0.000 0.823 310 A HN 0.549 nan 8.150 nan 0.000 0.482 311 G N -2.118 106.672 108.800 -0.017 0.000 2.231 311 G HA2 0.143 4.104 3.960 0.001 0.000 0.206 311 G HA3 0.143 4.104 3.960 0.001 0.000 0.206 311 G C 0.466 175.357 174.900 -0.015 0.000 0.996 311 G CA -0.021 45.072 45.100 -0.012 0.000 0.645 311 G HN 1.517 nan 8.290 nan 0.000 0.498 312 A N 0.366 123.174 122.820 -0.019 0.000 2.511 312 A HA 0.658 4.978 4.320 0.001 0.000 0.242 312 A C 1.240 178.813 177.584 -0.017 0.000 1.069 312 A CA 1.311 53.335 52.037 -0.021 0.000 0.763 312 A CB 0.340 19.323 19.000 -0.027 0.000 1.001 312 A HN 0.640 nan 8.150 nan 0.000 0.498 313 R N 1.762 122.255 120.500 -0.013 0.000 2.156 313 R HA 0.290 4.630 4.340 0.001 0.000 0.207 313 R C -0.161 176.139 176.300 0.001 0.000 1.040 313 R CA 0.616 56.711 56.100 -0.008 0.000 1.013 313 R CB 0.095 30.389 30.300 -0.009 0.000 0.931 313 R HN 0.745 nan 8.270 nan 0.000 0.465 314 I N 1.500 122.078 120.570 0.014 0.000 2.533 314 I HA 0.315 4.485 4.170 0.001 0.000 0.290 314 I C -1.215 174.945 176.117 0.072 0.000 1.056 314 I CA -1.121 60.206 61.300 0.045 0.000 1.057 314 I CB 2.503 40.550 38.000 0.078 0.000 1.240 314 I HN -0.211 nan 8.210 nan 0.000 0.423 315 V N 4.617 124.553 119.914 0.036 0.000 2.588 315 V HA 0.815 4.936 4.120 0.001 0.000 0.304 315 V C -0.307 175.731 176.094 -0.093 0.000 1.042 315 V CA -0.490 61.809 62.300 -0.002 0.000 0.877 315 V CB 1.845 33.616 31.823 -0.086 0.000 0.996 315 V HN 0.836 nan 8.190 nan 0.000 0.425 316 A N 3.033 125.721 122.820 -0.220 0.000 2.393 316 A HA 0.980 5.300 4.320 0.001 0.000 0.306 316 A C -0.207 177.129 177.584 -0.414 0.000 1.050 316 A CA -0.113 51.630 52.037 -0.490 0.000 0.724 316 A CB 2.073 20.342 19.000 -1.218 0.000 1.248 316 A HN 1.031 nan 8.150 nan 0.000 0.424 317 T N -1.773 112.618 114.554 -0.273 0.000 2.742 317 T HA 0.662 5.012 4.350 0.001 0.000 0.282 317 T C 0.796 175.428 174.700 -0.113 0.000 1.025 317 T CA 0.133 62.133 62.100 -0.167 0.000 1.020 317 T CB 1.311 70.140 68.868 -0.066 0.000 1.317 317 T HN 1.238 nan 8.240 nan 0.000 0.538 318 G N -0.449 108.323 108.800 -0.045 0.000 3.088 318 G HA2 0.221 4.181 3.960 0.001 0.000 0.217 318 G HA3 0.221 4.181 3.960 0.001 0.000 0.217 318 G C 0.502 175.407 174.900 0.008 0.000 1.159 318 G CA -0.453 44.637 45.100 -0.017 0.000 0.760 318 G HN 0.648 nan 8.290 nan 0.000 0.550 319 R N 0.646 121.174 120.500 0.046 0.000 2.459 319 R HA 0.300 4.640 4.340 0.001 0.000 0.281 319 R C 1.426 177.729 176.300 0.006 0.000 1.050 319 R CA 0.353 56.476 56.100 0.039 0.000 1.055 319 R CB 1.294 31.648 30.300 0.090 0.000 1.045 319 R HN 0.213 nan 8.270 nan 0.000 0.495 320 S N 0.267 115.940 115.700 -0.045 0.000 2.470 320 S HA -0.103 4.368 4.470 0.001 0.000 0.225 320 S C 0.993 175.534 174.600 -0.098 0.000 1.006 320 S CA 0.688 58.853 58.200 -0.058 0.000 0.934 320 S CB -0.001 63.165 63.200 -0.056 0.000 0.778 320 S HN 0.739 nan 8.310 nan 0.000 0.517 321 D N -0.245 120.036 120.400 -0.199 0.000 2.352 321 D HA 0.035 4.676 4.640 0.001 0.000 0.232 321 D C -0.305 175.754 176.300 -0.400 0.000 1.055 321 D CA 0.096 53.906 54.000 -0.317 0.000 0.891 321 D CB -0.346 40.202 40.800 -0.420 0.000 0.897 321 D HN 0.429 nan 8.370 nan 0.000 0.529 322 Y N -0.292 119.981 120.300 -0.046 0.000 2.602 322 Y HA 0.486 5.036 4.550 0.001 0.000 0.342 322 Y C -2.086 173.779 175.900 -0.059 0.000 1.029 322 Y CA -2.772 55.297 58.100 -0.051 0.000 1.080 322 Y CB 0.737 39.162 38.460 -0.059 0.000 1.284 322 Y HN -0.291 nan 8.280 nan 0.000 0.485 323 P HA 0.160 nan 4.420 nan 0.000 0.274 323 P C -1.039 176.255 177.300 -0.010 0.000 1.246 323 P CA -0.182 62.939 63.100 0.035 0.000 0.795 323 P CB 0.380 32.093 31.700 0.021 0.000 1.006 324 N N -0.116 118.559 118.700 -0.042 0.000 2.608 324 N HA -0.207 4.534 4.740 0.001 0.000 0.273 324 N C -0.417 175.018 175.510 -0.126 0.000 1.133 324 N CA 0.693 53.688 53.050 -0.091 0.000 0.726 324 N CB -1.086 37.328 38.487 -0.121 0.000 0.890 324 N HN 0.620 nan 8.380 nan 0.000 0.548 325 Q N 1.580 121.326 119.800 -0.091 0.000 2.296 325 Q HA 0.286 4.626 4.340 0.001 0.000 0.257 325 Q C -0.143 175.791 176.000 -0.110 0.000 0.942 325 Q CA -0.589 55.159 55.803 -0.090 0.000 0.939 325 Q CB 0.613 29.319 28.738 -0.053 0.000 1.198 325 Q HN 0.249 nan 8.270 nan 0.000 0.429 326 I N 4.590 125.078 120.570 -0.138 0.000 2.347 326 I HA 0.163 4.333 4.170 0.001 0.000 0.294 326 I C -0.053 176.038 176.117 -0.043 0.000 1.090 326 I CA 0.038 61.273 61.300 -0.108 0.000 1.314 326 I CB -0.099 37.813 38.000 -0.146 0.000 1.423 326 I HN 0.594 nan 8.210 nan 0.000 0.503 327 N N 5.213 123.892 118.700 -0.035 0.000 2.399 327 N HA 0.207 4.948 4.740 0.001 0.000 0.280 327 N C 0.695 176.213 175.510 0.013 0.000 1.008 327 N CA -0.345 52.697 53.050 -0.014 0.000 0.894 327 N CB 1.223 39.680 38.487 -0.049 0.000 1.273 327 N HN 0.294 nan 8.380 nan 0.000 0.486 328 N N 1.702 120.448 118.700 0.076 0.000 2.348 328 N HA -0.134 4.606 4.740 0.001 0.000 0.185 328 N C 1.449 177.042 175.510 0.138 0.000 1.019 328 N CA 0.451 53.595 53.050 0.157 0.000 0.880 328 N CB 0.003 38.622 38.487 0.221 0.000 0.965 328 N HN 0.497 nan 8.380 nan 0.000 0.437 329 L N 0.506 121.749 121.223 0.033 0.000 2.189 329 L HA -0.076 4.264 4.340 0.001 0.000 0.214 329 L C 1.416 178.094 176.870 -0.320 0.000 1.097 329 L CA 1.344 56.049 54.840 -0.225 0.000 0.764 329 L CB -0.376 41.544 42.059 -0.231 0.000 0.900 329 L HN 0.241 nan 8.230 nan 0.000 0.436 330 L N -1.516 119.605 121.223 -0.170 0.000 2.275 330 L HA -0.028 4.313 4.340 0.001 0.000 0.215 330 L C 2.214 179.011 176.870 -0.121 0.000 1.119 330 L CA 0.853 55.583 54.840 -0.184 0.000 0.790 330 L CB -1.003 40.950 42.059 -0.178 0.000 0.919 330 L HN 0.425 nan 8.230 nan 0.000 0.443 331 G N 0.401 109.157 108.800 -0.072 0.000 2.724 331 G HA2 -0.163 3.797 3.960 0.001 0.000 0.217 331 G HA3 -0.163 3.797 3.960 0.001 0.000 0.217 331 G C 1.280 176.178 174.900 -0.004 0.000 1.251 331 G CA 0.507 45.620 45.100 0.022 0.000 0.867 331 G HN 0.334 nan 8.290 nan 0.000 0.590 332 F N 2.106 122.092 119.950 0.059 0.000 2.141 332 F HA -0.047 4.481 4.527 0.001 0.000 0.300 332 F C -0.282 175.479 175.800 -0.064 0.000 1.079 332 F CA 1.355 59.339 58.000 -0.026 0.000 1.264 332 F CB -1.820 37.112 39.000 -0.113 0.000 1.011 332 F HN 0.162 nan 8.300 nan 0.000 0.487 333 P HA 0.021 nan 4.420 nan 0.000 0.216 333 P C 1.998 179.334 177.300 0.059 0.000 1.153 333 P CA 2.159 65.079 63.100 -0.300 0.000 0.844 333 P CB -0.358 30.945 31.700 -0.662 0.000 0.787 334 G N -0.739 108.148 108.800 0.145 0.000 2.430 334 G HA2 -0.122 3.838 3.960 0.001 0.000 0.216 334 G HA3 -0.122 3.838 3.960 0.001 0.000 0.216 334 G C 1.477 176.450 174.900 0.123 0.000 1.146 334 G CA 0.217 45.433 45.100 0.193 0.000 0.793 334 G HN 0.205 nan 8.290 nan 0.000 0.537 335 I N -0.420 120.205 120.570 0.091 0.000 2.202 335 I HA -0.057 4.113 4.170 0.001 0.000 0.242 335 I C 2.359 178.459 176.117 -0.028 0.000 1.091 335 I CA 0.887 62.178 61.300 -0.015 0.000 1.368 335 I CB -0.232 37.674 38.000 -0.158 0.000 1.058 335 I HN 0.072 nan 8.210 nan 0.000 0.410 336 F N 0.850 120.822 119.950 0.037 0.000 2.186 336 F HA -0.188 4.339 4.527 0.001 0.000 0.299 336 F C 2.712 178.580 175.800 0.113 0.000 1.090 336 F CA 1.275 59.339 58.000 0.107 0.000 1.307 336 F CB -0.306 38.872 39.000 0.297 0.000 1.019 336 F HN -0.075 nan 8.300 nan 0.000 0.489 337 R N 0.818 121.489 120.500 0.286 0.000 2.096 337 R HA -0.134 4.207 4.340 0.001 0.000 0.240 337 R C 2.321 178.714 176.300 0.155 0.000 1.139 337 R CA 1.950 58.161 56.100 0.186 0.000 0.952 337 R CB -1.368 29.004 30.300 0.119 0.000 0.854 337 R HN 0.273 nan 8.270 nan 0.000 0.436 338 G N -0.714 108.155 108.800 0.114 0.000 2.402 338 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 338 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 338 G C 1.568 176.510 174.900 0.069 0.000 1.162 338 G CA 0.687 45.843 45.100 0.093 0.000 0.777 338 G HN 0.508 nan 8.290 nan 0.000 0.539 339 A N 0.426 123.255 122.820 0.014 0.000 1.969 339 A HA 0.151 4.471 4.320 0.001 0.000 0.218 339 A C 2.407 180.010 177.584 0.031 0.000 1.169 339 A CA 1.079 53.102 52.037 -0.023 0.000 0.635 339 A CB -0.311 18.598 19.000 -0.153 0.000 0.810 339 A HN 0.357 nan 8.150 nan 0.000 0.445 340 L N -0.663 120.617 121.223 0.095 0.000 2.072 340 L HA -0.129 4.211 4.340 0.001 0.000 0.205 340 L C 1.776 178.725 176.870 0.132 0.000 1.079 340 L CA 1.154 56.078 54.840 0.139 0.000 0.752 340 L CB -0.590 41.595 42.059 0.210 0.000 0.906 340 L HN 0.247 nan 8.230 nan 0.000 0.436 341 D N -0.180 120.330 120.400 0.182 0.000 2.263 341 D HA -0.115 4.525 4.640 0.001 0.000 0.208 341 D C 1.761 178.127 176.300 0.110 0.000 0.971 341 D CA 1.358 55.497 54.000 0.230 0.000 0.867 341 D CB 0.183 41.219 40.800 0.395 0.000 0.929 341 D HN 0.358 nan 8.370 nan 0.000 0.492 342 V N -3.056 116.892 119.914 0.056 0.000 3.380 342 V HA 0.329 4.449 4.120 0.001 0.000 0.307 342 V C 0.767 176.827 176.094 -0.056 0.000 1.434 342 V CA -0.459 61.839 62.300 -0.005 0.000 1.075 342 V CB -0.298 31.532 31.823 0.013 0.000 0.954 342 V HN 0.033 nan 8.190 nan 0.000 0.444 343 R N 0.825 121.286 120.500 -0.065 0.000 3.264 343 R HA -0.176 4.165 4.340 0.001 0.000 0.251 343 R C 0.463 176.721 176.300 -0.072 0.000 0.971 343 R CA 0.469 56.495 56.100 -0.124 0.000 0.658 343 R CB -1.361 28.755 30.300 -0.307 0.000 1.095 343 R HN 1.098 nan 8.270 nan 0.000 0.443 344 A N 1.070 123.872 122.820 -0.029 0.000 2.540 344 A HA 0.017 4.338 4.320 0.001 0.000 0.239 344 A C 1.236 178.818 177.584 -0.005 0.000 1.061 344 A CA 0.500 52.526 52.037 -0.019 0.000 0.758 344 A CB 0.366 19.354 19.000 -0.021 0.000 0.991 344 A HN 0.678 nan 8.150 nan 0.000 0.502 345 R N 0.575 121.075 120.500 -0.000 0.000 2.115 345 R HA -0.014 4.327 4.340 0.001 0.000 0.230 345 R C 0.595 176.910 176.300 0.026 0.000 1.111 345 R CA 1.753 57.862 56.100 0.016 0.000 0.976 345 R CB 0.054 30.361 30.300 0.011 0.000 0.870 345 R HN 0.834 nan 8.270 nan 0.000 0.445 346 T N -1.688 112.876 114.554 0.017 0.000 2.693 346 T HA 0.400 4.750 4.350 0.001 0.000 0.304 346 T C -1.701 173.007 174.700 0.013 0.000 1.471 346 T CA -0.731 61.384 62.100 0.026 0.000 0.993 346 T CB 1.062 69.951 68.868 0.035 0.000 1.554 346 T HN 0.015 nan 8.240 nan 0.000 0.496 347 I N 3.424 124.016 120.570 0.037 0.000 2.405 347 I HA 0.306 4.476 4.170 0.001 0.000 0.280 347 I C 0.865 177.036 176.117 0.089 0.000 1.027 347 I CA -0.686 60.641 61.300 0.044 0.000 1.161 347 I CB 1.511 39.545 38.000 0.058 0.000 1.300 347 I HN 0.750 nan 8.210 nan 0.000 0.463 348 T N -0.165 114.428 114.554 0.064 0.000 2.849 348 T HA 0.170 4.520 4.350 0.001 0.000 0.284 348 T C 0.829 175.579 174.700 0.084 0.000 1.004 348 T CA -0.629 61.511 62.100 0.067 0.000 1.021 348 T CB 1.400 70.296 68.868 0.045 0.000 1.013 348 T HN 0.371 nan 8.240 nan 0.000 0.527 349 D N 0.745 121.193 120.400 0.079 0.000 2.218 349 D HA 0.008 4.648 4.640 0.001 0.000 0.204 349 D C 1.188 177.529 176.300 0.069 0.000 0.976 349 D CA 0.735 54.785 54.000 0.083 0.000 0.853 349 D CB -0.373 40.474 40.800 0.078 0.000 0.939 349 D HN 0.523 nan 8.370 nan 0.000 0.481 353 I N 1.833 122.445 120.570 0.070 0.000 2.353 353 I HA -0.165 4.005 4.170 0.001 0.000 0.248 353 I C 2.675 178.817 176.117 0.042 0.000 1.119 353 I CA 1.627 62.959 61.300 0.052 0.000 1.417 353 I CB -0.135 37.891 38.000 0.043 0.000 1.078 353 I HN 0.293 nan 8.210 nan 0.000 0.421 354 A N 0.703 123.547 122.820 0.040 0.000 1.969 354 A HA -0.082 4.238 4.320 0.001 0.000 0.218 354 A C 2.516 180.116 177.584 0.027 0.000 1.169 354 A CA 1.592 53.647 52.037 0.030 0.000 0.635 354 A CB -0.596 18.421 19.000 0.028 0.000 0.810 354 A HN 0.410 nan 8.150 nan 0.000 0.445 355 A N -0.125 122.717 122.820 0.036 0.000 1.930 355 A HA 0.227 4.547 4.320 0.001 0.000 0.217 355 A C 2.463 180.061 177.584 0.022 0.000 1.175 355 A CA 1.821 53.876 52.037 0.030 0.000 0.627 355 A CB -0.871 18.158 19.000 0.048 0.000 0.815 355 A HN 0.941 nan 8.150 nan 0.000 0.443 356 A N 0.052 122.893 122.820 0.036 0.000 1.873 356 A HA -0.141 4.179 4.320 0.001 0.000 0.215 356 A C 2.090 179.683 177.584 0.015 0.000 1.186 356 A CA 1.754 53.810 52.037 0.031 0.000 0.616 356 A CB -0.444 18.584 19.000 0.047 0.000 0.823 356 A HN 0.517 nan 8.150 nan 0.000 0.442 357 K N -0.250 120.159 120.400 0.016 0.000 2.103 357 K HA -0.088 4.233 4.320 0.001 0.000 0.207 357 K C 2.213 178.812 176.600 -0.003 0.000 1.048 357 K CA 1.150 57.442 56.287 0.008 0.000 0.930 357 K CB -0.295 32.212 32.500 0.011 0.000 0.716 357 K HN 0.460 nan 8.250 nan 0.000 0.444 358 A N 1.207 124.023 122.820 -0.006 0.000 1.929 358 A HA -0.084 4.236 4.320 0.001 0.000 0.216 358 A C 2.078 179.637 177.584 -0.042 0.000 1.176 358 A CA 1.011 53.036 52.037 -0.019 0.000 0.628 358 A CB -0.415 18.575 19.000 -0.016 0.000 0.816 358 A HN 0.141 nan 8.150 nan 0.000 0.444 359 I N -0.239 120.302 120.570 -0.047 0.000 2.179 359 I HA -0.272 3.898 4.170 0.001 0.000 0.242 359 I C 3.004 179.085 176.117 -0.059 0.000 1.088 359 I CA 1.085 62.338 61.300 -0.078 0.000 1.357 359 I CB -0.366 37.592 38.000 -0.070 0.000 1.051 359 I HN 0.360 nan 8.210 nan 0.000 0.409 360 A N 0.813 123.615 122.820 -0.030 0.000 1.877 360 A HA -0.248 4.072 4.320 0.001 0.000 0.216 360 A C 2.470 180.041 177.584 -0.022 0.000 1.186 360 A CA 2.233 54.259 52.037 -0.018 0.000 0.620 360 A CB -1.001 18.000 19.000 0.001 0.000 0.822 360 A HN 0.531 nan 8.150 nan 0.000 0.443 361 S N -0.129 115.558 115.700 -0.021 0.000 2.465 361 S HA -0.135 4.335 4.470 0.001 0.000 0.241 361 S C 1.698 176.281 174.600 -0.028 0.000 1.000 361 S CA 1.311 59.500 58.200 -0.020 0.000 0.964 361 S CB -0.611 62.579 63.200 -0.016 0.000 0.763 361 S HN 0.357 nan 8.310 nan 0.000 0.512 362 I N 1.729 122.273 120.570 -0.043 0.000 2.361 362 I HA 0.011 4.181 4.170 0.001 0.000 0.251 362 I C 0.790 176.883 176.117 -0.040 0.000 1.133 362 I CA 0.601 61.871 61.300 -0.051 0.000 1.413 362 I CB -1.158 36.793 38.000 -0.082 0.000 1.073 362 I HN 0.213 nan 8.210 nan 0.000 0.424 363 V N 2.749 122.642 119.914 -0.035 0.000 2.338 363 V HA 0.044 4.164 4.120 0.001 0.000 0.255 363 V C 1.397 177.480 176.094 -0.018 0.000 1.082 363 V CA -0.214 62.070 62.300 -0.027 0.000 0.951 363 V CB 0.052 31.861 31.823 -0.024 0.000 1.102 363 V HN 0.324 nan 8.190 nan 0.000 0.489 364 E N 2.810 123.000 120.200 -0.016 0.000 2.021 364 E HA -0.158 4.192 4.350 0.001 0.000 0.200 364 E C 0.505 177.099 176.600 -0.009 0.000 1.015 364 E CA 1.099 57.492 56.400 -0.012 0.000 0.824 364 E CB 0.148 29.841 29.700 -0.010 0.000 0.762 364 E HN 0.587 nan 8.360 nan 0.000 0.454 365 E N 1.382 121.577 120.200 -0.008 0.000 2.561 365 E HA 0.184 4.535 4.350 0.001 0.000 0.225 365 E C -2.289 174.308 176.600 -0.006 0.000 1.035 365 E CA -1.727 54.669 56.400 -0.006 0.000 0.904 365 E CB 0.874 30.571 29.700 -0.005 0.000 1.291 365 E HN 0.217 nan 8.360 nan 0.000 0.444 366 P HA 0.034 nan 4.420 nan 0.000 0.269 366 P C -0.197 177.103 177.300 0.000 0.000 1.215 366 P CA 0.071 63.169 63.100 -0.002 0.000 0.780 366 P CB 1.020 32.722 31.700 0.002 0.000 0.898 367 S N -0.138 115.563 115.700 0.001 0.000 2.656 367 S HA 0.283 4.753 4.470 0.001 0.000 0.273 367 S C 0.816 175.419 174.600 0.006 0.000 1.168 367 S CA -0.709 57.492 58.200 0.002 0.000 0.817 367 S CB 1.195 64.394 63.200 -0.001 0.000 1.146 367 S HN 0.226 nan 8.310 nan 0.000 0.475 368 E N 0.892 121.095 120.200 0.005 0.000 2.187 368 E HA -0.127 4.223 4.350 0.001 0.000 0.199 368 E C 0.747 177.350 176.600 0.004 0.000 1.004 368 E CA 1.645 58.049 56.400 0.008 0.000 0.813 368 E CB -0.052 29.649 29.700 0.003 0.000 0.736 368 E HN 0.607 nan 8.360 nan 0.000 0.468 369 E N -0.258 119.941 120.200 -0.000 0.000 2.569 369 E HA 0.149 4.500 4.350 0.001 0.000 0.205 369 E C -0.346 176.249 176.600 -0.008 0.000 1.006 369 E CA -0.050 56.347 56.400 -0.004 0.000 0.985 369 E CB 0.010 29.709 29.700 -0.002 0.000 1.060 369 E HN 0.168 nan 8.360 nan 0.000 0.460 370 N N 1.357 120.053 118.700 -0.007 0.000 2.976 370 N HA 0.091 4.831 4.740 0.001 0.000 0.220 370 N C 0.257 175.762 175.510 -0.009 0.000 1.428 370 N CA 0.154 53.197 53.050 -0.013 0.000 0.748 370 N CB 0.475 38.955 38.487 -0.012 0.000 1.484 370 N HN 0.047 nan 8.380 nan 0.000 0.578 371 I N -1.080 119.485 120.570 -0.009 0.000 4.227 371 I HA 0.499 4.670 4.170 0.001 0.000 0.334 371 I C -0.448 175.664 176.117 -0.009 0.000 1.341 371 I CA -0.116 61.187 61.300 0.006 0.000 1.123 371 I CB 0.495 38.521 38.000 0.044 0.000 1.097 371 I HN 0.135 nan 8.210 nan 0.000 0.399 372 I N 3.055 123.605 120.570 -0.034 0.000 2.582 372 I HA 0.619 4.790 4.170 0.001 0.000 0.292 372 I C -2.475 173.604 176.117 -0.063 0.000 1.066 372 I CA -2.563 58.707 61.300 -0.051 0.000 1.053 372 I CB 2.269 40.227 38.000 -0.070 0.000 1.241 372 I HN -0.090 nan 8.210 nan 0.000 0.421 373 P HA 0.167 nan 4.420 nan 0.000 0.277 373 P C -0.840 176.397 177.300 -0.105 0.000 1.276 373 P CA -0.433 62.611 63.100 -0.092 0.000 0.788 373 P CB 0.678 32.308 31.700 -0.117 0.000 1.114 374 S N -0.214 115.426 115.700 -0.100 0.000 2.525 374 S HA 0.309 4.780 4.470 0.001 0.000 0.278 374 S C -1.707 172.813 174.600 -0.133 0.000 1.234 374 S CA -1.618 56.526 58.200 -0.094 0.000 1.058 374 S CB 0.166 63.333 63.200 -0.055 0.000 0.983 374 S HN 0.163 nan 8.310 nan 0.000 0.495 375 P HA 0.041 nan 4.420 nan 0.000 0.225 375 P C 0.617 177.847 177.300 -0.117 0.000 1.148 375 P CA 0.834 63.808 63.100 -0.209 0.000 0.779 375 P CB 0.077 31.625 31.700 -0.253 0.000 0.780 376 L N -2.197 119.020 121.223 -0.009 0.000 2.592 376 L HA 0.114 4.455 4.340 0.001 0.000 0.227 376 L C 0.939 177.891 176.870 0.137 0.000 1.127 376 L CA -0.048 54.875 54.840 0.138 0.000 0.884 376 L CB -0.551 41.570 42.059 0.103 0.000 1.065 376 L HN -0.065 nan 8.230 nan 0.000 0.457 377 N N 1.384 120.111 118.700 0.045 0.000 2.402 377 N HA 0.104 4.844 4.740 0.001 0.000 0.252 377 N C -1.818 173.722 175.510 0.050 0.000 1.118 377 N CA -1.820 51.240 53.050 0.018 0.000 0.945 377 N CB 1.518 39.972 38.487 -0.055 0.000 1.147 377 N HN -0.148 nan 8.380 nan 0.000 0.495 378 P HA -0.112 nan 4.420 nan 0.000 0.216 378 P C 1.434 178.794 177.300 0.101 0.000 1.150 378 P CA 0.733 63.947 63.100 0.191 0.000 0.837 378 P CB 0.294 32.069 31.700 0.124 0.000 0.786 379 I N -1.186 119.394 120.570 0.017 0.000 2.423 379 I HA -0.161 4.010 4.170 0.001 0.000 0.254 379 I C 2.166 178.235 176.117 -0.080 0.000 1.151 379 I CA 1.359 62.648 61.300 -0.019 0.000 1.421 379 I CB -1.531 36.453 38.000 -0.027 0.000 1.079 379 I HN -0.101 nan 8.210 nan 0.000 0.431 380 V N 0.570 120.368 119.914 -0.193 0.000 2.261 380 V HA -0.306 3.814 4.120 0.001 0.000 0.246 380 V C 2.417 178.296 176.094 -0.358 0.000 1.047 380 V CA 1.968 64.051 62.300 -0.361 0.000 1.015 380 V CB -0.968 30.468 31.823 -0.645 0.000 0.642 380 V HN 0.219 nan 8.190 nan 0.000 0.446 381 Y N 0.708 120.981 120.300 -0.044 0.000 2.242 381 Y HA -0.046 4.505 4.550 0.001 0.000 0.291 381 Y C 2.522 178.406 175.900 -0.026 0.000 1.137 381 Y CA 1.022 59.097 58.100 -0.041 0.000 1.181 381 Y CB -1.226 37.220 38.460 -0.024 0.000 0.989 381 Y HN 0.169 nan 8.280 nan 0.000 0.527 382 A N 0.539 123.421 122.820 0.105 0.000 1.851 382 A HA -0.251 4.069 4.320 0.001 0.000 0.216 382 A C 2.338 179.935 177.584 0.022 0.000 1.195 382 A CA 2.091 54.156 52.037 0.046 0.000 0.622 382 A CB -0.810 18.205 19.000 0.025 0.000 0.831 382 A HN 0.424 nan 8.150 nan 0.000 0.444 383 R N -0.326 120.173 120.500 -0.003 0.000 2.096 383 R HA -0.166 4.174 4.340 0.001 0.000 0.235 383 R C 2.209 178.507 176.300 -0.003 0.000 1.127 383 R CA 1.758 57.853 56.100 -0.008 0.000 0.968 383 R CB -0.261 30.023 30.300 -0.027 0.000 0.861 383 R HN 0.742 nan 8.270 nan 0.000 0.440 384 E N -0.252 119.940 120.200 -0.015 0.000 2.106 384 E HA -0.162 4.188 4.350 0.001 0.000 0.192 384 E C 1.712 178.330 176.600 0.029 0.000 0.984 384 E CA 1.030 57.428 56.400 -0.003 0.000 0.806 384 E CB -0.064 29.620 29.700 -0.026 0.000 0.750 384 E HN 0.464 nan 8.360 nan 0.000 0.458 385 A N 1.607 124.457 122.820 0.050 0.000 1.877 385 A HA -0.195 4.125 4.320 0.001 0.000 0.216 385 A C 2.228 179.849 177.584 0.060 0.000 1.186 385 A CA 1.591 53.667 52.037 0.065 0.000 0.620 385 A CB -0.575 18.469 19.000 0.073 0.000 0.822 385 A HN 0.258 nan 8.150 nan 0.000 0.443 386 R N -0.372 120.158 120.500 0.050 0.000 2.073 386 R HA -0.085 4.256 4.340 0.001 0.000 0.234 386 R C 2.304 178.631 176.300 0.046 0.000 1.134 386 R CA 1.518 57.651 56.100 0.055 0.000 0.952 386 R CB -0.449 29.877 30.300 0.043 0.000 0.850 386 R HN 0.412 nan 8.270 nan 0.000 0.433 387 A N 0.338 123.177 122.820 0.033 0.000 1.908 387 A HA -0.117 4.203 4.320 0.001 0.000 0.218 387 A C 2.283 179.884 177.584 0.029 0.000 1.181 387 A CA 1.717 53.770 52.037 0.027 0.000 0.627 387 A CB -0.626 18.385 19.000 0.018 0.000 0.818 387 A HN 0.244 nan 8.150 nan 0.000 0.445 388 V N -0.188 119.743 119.914 0.030 0.000 2.343 388 V HA -0.242 3.879 4.120 0.001 0.000 0.247 388 V C 3.059 179.170 176.094 0.028 0.000 1.051 388 V CA 1.923 64.237 62.300 0.024 0.000 1.036 388 V CB -1.270 30.560 31.823 0.012 0.000 0.654 388 V HN 0.633 nan 8.190 nan 0.000 0.451 389 A N -0.052 122.794 122.820 0.044 0.000 1.865 389 A HA -0.265 4.056 4.320 0.001 0.000 0.217 389 A C 2.162 179.772 177.584 0.043 0.000 1.191 389 A CA 2.028 54.097 52.037 0.054 0.000 0.623 389 A CB -0.542 18.511 19.000 0.090 0.000 0.826 389 A HN 0.639 nan 8.150 nan 0.000 0.444 390 E N -0.882 119.344 120.200 0.043 0.000 2.110 390 E HA -0.222 4.128 4.350 0.001 0.000 0.193 390 E C 2.017 178.632 176.600 0.025 0.000 0.988 390 E CA 1.210 57.631 56.400 0.034 0.000 0.804 390 E CB -0.124 29.597 29.700 0.034 0.000 0.745 390 E HN 0.659 nan 8.360 nan 0.000 0.458 391 E N 1.436 121.651 120.200 0.024 0.000 2.077 391 E HA -0.065 4.285 4.350 0.001 0.000 0.193 391 E C 0.656 177.267 176.600 0.018 0.000 0.989 391 E CA 0.851 57.264 56.400 0.021 0.000 0.800 391 E CB -0.182 29.532 29.700 0.023 0.000 0.746 391 E HN 0.240 nan 8.360 nan 0.000 0.452 395 E N 0.363 120.569 120.200 0.009 0.000 2.478 395 E HA 0.085 4.435 4.350 0.001 0.000 0.194 395 E C 0.623 177.226 176.600 0.006 0.000 1.045 395 E CA 0.833 57.239 56.400 0.010 0.000 0.868 395 E CB 0.423 30.131 29.700 0.013 0.000 0.885 395 E HN 0.543 nan 8.360 nan 0.000 0.505 396 G N 0.889 109.691 108.800 0.003 0.000 2.143 396 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 396 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 396 G C 0.821 175.719 174.900 -0.003 0.000 0.991 396 G CA 0.550 45.649 45.100 -0.001 0.000 0.689 396 G HN 0.501 nan 8.290 nan 0.000 0.522 397 V N -3.039 116.874 119.914 -0.001 0.000 3.647 397 V HA 0.762 4.882 4.120 0.001 0.000 0.279 397 V C 1.309 177.398 176.094 -0.010 0.000 1.314 397 V CA 0.804 63.103 62.300 -0.002 0.000 1.125 397 V CB 0.029 31.854 31.823 0.004 0.000 0.907 397 V HN 1.586 nan 8.190 nan 0.000 0.434 398 A N 0.829 123.641 122.820 -0.014 0.000 2.354 398 A HA 0.656 4.976 4.320 0.001 0.000 0.269 398 A C 0.945 178.505 177.584 -0.040 0.000 1.109 398 A CA -0.475 51.547 52.037 -0.025 0.000 0.800 398 A CB 0.466 19.454 19.000 -0.019 0.000 1.045 398 A HN 0.471 nan 8.150 nan 0.000 0.489 399 R N 0.186 120.648 120.500 -0.064 0.000 2.472 399 R HA 0.190 4.530 4.340 0.001 0.000 0.279 399 R C -0.735 175.502 176.300 -0.106 0.000 0.953 399 R CA 0.276 56.328 56.100 -0.080 0.000 1.088 399 R CB 0.768 31.012 30.300 -0.093 0.000 1.197 399 R HN 0.661 nan 8.270 nan 0.000 0.536 400 T N 0.477 114.970 114.554 -0.102 0.000 2.971 400 T HA 0.195 4.545 4.350 0.001 0.000 0.304 400 T C -1.314 173.333 174.700 -0.089 0.000 1.038 400 T CA -0.648 61.383 62.100 -0.116 0.000 1.007 400 T CB 2.608 71.384 68.868 -0.153 0.000 1.055 400 T HN -0.066 nan 8.240 nan 0.000 0.451 401 K N 2.968 123.312 120.400 -0.093 0.000 2.234 401 K HA 0.729 5.050 4.320 0.001 0.000 0.277 401 K C -1.098 175.439 176.600 -0.105 0.000 1.038 401 K CA -0.483 55.758 56.287 -0.076 0.000 0.888 401 K CB 0.979 33.440 32.500 -0.065 0.000 1.091 401 K HN 0.383 nan 8.250 nan 0.000 0.467 402 V N 3.739 123.610 119.914 -0.072 0.000 3.078 402 V HA 0.389 4.509 4.120 0.001 0.000 0.311 402 V C -1.265 174.836 176.094 0.012 0.000 1.138 402 V CA -1.016 61.230 62.300 -0.091 0.000 1.007 402 V CB 2.248 34.020 31.823 -0.084 0.000 1.045 402 V HN 0.792 nan 8.190 nan 0.000 0.432 403 K N 2.678 123.107 120.400 0.049 0.000 2.270 403 K HA 0.327 4.648 4.320 0.001 0.000 0.276 403 K C 1.220 177.923 176.600 0.171 0.000 1.023 403 K CA 0.431 56.778 56.287 0.101 0.000 0.955 403 K CB 1.235 33.798 32.500 0.105 0.000 0.975 403 K HN 0.927 nan 8.250 nan 0.000 0.471 404 G N 2.785 111.655 108.800 0.117 0.000 2.442 404 G HA2 -0.280 3.680 3.960 0.001 0.000 0.219 404 G HA3 -0.280 3.680 3.960 0.001 0.000 0.219 404 G C 1.017 175.990 174.900 0.123 0.000 1.141 404 G CA 0.769 45.936 45.100 0.113 0.000 0.763 404 G HN 0.730 nan 8.290 nan 0.000 0.554 405 E N -0.833 119.438 120.200 0.118 0.000 2.110 405 E HA -0.174 4.176 4.350 0.001 0.000 0.193 405 E C 2.068 178.742 176.600 0.124 0.000 0.988 405 E CA 0.903 57.363 56.400 0.101 0.000 0.804 405 E CB -0.229 29.525 29.700 0.090 0.000 0.745 405 E HN 0.675 nan 8.360 nan 0.000 0.458 406 W N 1.377 122.691 121.300 0.025 0.000 2.381 406 W HA -0.190 4.471 4.660 0.000 0.000 0.301 406 W C 2.039 178.596 176.519 0.063 0.000 1.205 406 W CA 1.158 58.518 57.345 0.026 0.000 1.285 406 W CB -0.226 29.230 29.460 -0.006 0.000 1.133 406 W HN -0.213 nan 8.180 nan 0.000 0.521 407 V N 0.834 120.866 119.914 0.197 0.000 2.332 407 V HA -0.346 3.775 4.120 0.001 0.000 0.248 407 V C 2.225 178.282 176.094 -0.062 0.000 1.055 407 V CA 2.454 64.798 62.300 0.073 0.000 1.038 407 V CB -1.014 30.930 31.823 0.202 0.000 0.651 407 V HN 0.354 nan 8.190 nan 0.000 0.450 408 E N 0.109 120.292 120.200 -0.029 0.000 2.072 408 E HA -0.247 4.103 4.350 0.001 0.000 0.191 408 E C 2.143 178.689 176.600 -0.091 0.000 0.985 408 E CA 1.522 57.900 56.400 -0.036 0.000 0.801 408 E CB -0.090 29.608 29.700 -0.005 0.000 0.750 408 E HN 0.716 nan 8.360 nan 0.000 0.452 409 E N -0.261 119.848 120.200 -0.150 0.000 2.051 409 E HA -0.237 4.113 4.350 0.001 0.000 0.192 409 E C 2.068 178.534 176.600 -0.224 0.000 0.991 409 E CA 1.231 57.527 56.400 -0.173 0.000 0.799 409 E CB -0.326 29.256 29.700 -0.197 0.000 0.748 409 E HN 0.449 nan 8.360 nan 0.000 0.449 410 H N 0.206 118.914 119.070 -0.604 0.000 2.321 410 H HA -0.163 4.393 4.556 0.001 0.000 0.295 410 H C 1.830 176.994 175.328 -0.275 0.000 1.102 410 H CA 1.805 57.481 56.048 -0.620 0.000 1.266 410 H CB 0.205 29.350 29.762 -1.028 0.000 1.363 410 H HN 0.123 nan 8.280 nan 0.000 0.492 411 T N 1.667 116.088 114.554 -0.222 0.000 2.684 411 T HA -0.140 4.210 4.350 0.001 0.000 0.267 411 T C 2.115 176.761 174.700 -0.090 0.000 1.036 411 T CA 1.285 63.283 62.100 -0.170 0.000 1.148 411 T CB -0.092 68.742 68.868 -0.056 0.000 0.863 411 T HN 0.257 nan 8.240 nan 0.000 0.436 412 I N 1.134 121.669 120.570 -0.058 0.000 2.226 412 I HA -0.085 4.085 4.170 0.001 0.000 0.245 412 I C 2.596 178.712 176.117 -0.003 0.000 1.100 412 I CA 1.284 62.575 61.300 -0.015 0.000 1.374 412 I CB -1.016 36.976 38.000 -0.013 0.000 1.057 412 I HN 0.213 nan 8.210 nan 0.000 0.413 413 R N 0.738 121.225 120.500 -0.022 0.000 2.081 413 R HA -0.138 4.202 4.340 0.001 0.000 0.235 413 R C 2.448 178.787 176.300 0.065 0.000 1.131 413 R CA 1.186 57.300 56.100 0.025 0.000 0.960 413 R CB -0.150 30.160 30.300 0.018 0.000 0.856 413 R HN 0.288 nan 8.270 nan 0.000 0.436 414 L N 0.291 121.508 121.223 -0.010 0.000 2.046 414 L HA -0.217 4.123 4.340 0.001 0.000 0.208 414 L C 2.409 179.367 176.870 0.146 0.000 1.077 414 L CA 1.322 56.181 54.840 0.033 0.000 0.747 414 L CB -0.354 41.629 42.059 -0.127 0.000 0.896 414 L HN 0.258 nan 8.230 nan 0.000 0.432 415 I N -0.689 119.920 120.570 0.066 0.000 2.252 415 I HA -0.260 3.911 4.170 0.001 0.000 0.245 415 I C 2.684 178.870 176.117 0.116 0.000 1.102 415 I CA 1.146 62.485 61.300 0.064 0.000 1.385 415 I CB -0.395 37.613 38.000 0.015 0.000 1.064 415 I HN 0.359 nan 8.210 nan 0.000 0.414 416 E N 1.005 121.267 120.200 0.104 0.000 2.130 416 E HA -0.286 4.064 4.350 0.001 0.000 0.196 416 E C 2.178 178.852 176.600 0.125 0.000 0.998 416 E CA 1.613 58.071 56.400 0.097 0.000 0.806 416 E CB -0.133 29.619 29.700 0.087 0.000 0.738 416 E HN 0.422 nan 8.360 nan 0.000 0.459 417 F N 0.270 120.242 119.950 0.037 0.000 2.146 417 F HA -0.222 4.306 4.527 0.000 0.000 0.298 417 F C 2.197 178.011 175.800 0.023 0.000 1.096 417 F CA 1.617 59.634 58.000 0.028 0.000 1.275 417 F CB -0.729 38.290 39.000 0.032 0.000 1.008 417 F HN 0.066 nan 8.300 nan 0.000 0.480 418 Y N 1.216 121.467 120.300 -0.082 0.000 2.181 418 Y HA -0.205 4.346 4.550 0.000 0.000 0.288 418 Y C 2.297 178.075 175.900 -0.204 0.000 1.146 418 Y CA 2.248 60.238 58.100 -0.183 0.000 1.164 418 Y CB -0.339 38.069 38.460 -0.086 0.000 0.982 418 Y HN 0.200 nan 8.280 nan 0.000 0.515 419 E N -0.584 119.670 120.200 0.090 0.000 2.208 419 E HA -0.148 4.202 4.350 0.001 0.000 0.193 419 E C 1.366 177.918 176.600 -0.079 0.000 0.988 419 E CA 0.918 57.341 56.400 0.038 0.000 0.828 419 E CB -0.049 29.684 29.700 0.054 0.000 0.763 419 E HN 0.536 nan 8.360 nan 0.000 0.478 420 N N -0.250 118.369 118.700 -0.135 0.000 2.388 420 N HA -0.007 4.733 4.740 0.001 0.000 0.176 420 N C 1.538 176.904 175.510 -0.242 0.000 1.062 420 N CA 0.512 53.476 53.050 -0.143 0.000 0.895 420 N CB 0.872 39.310 38.487 -0.081 0.000 1.018 420 N HN 0.010 nan 8.380 nan 0.000 0.456 421 V N 0.305 119.950 119.914 -0.449 0.000 3.013 421 V HA 0.224 4.344 4.120 0.001 0.000 0.238 421 V C 1.961 177.745 176.094 -0.517 0.000 1.161 421 V CA 0.301 62.284 62.300 -0.529 0.000 1.170 421 V CB 0.373 31.658 31.823 -0.896 0.000 0.917 421 V HN 0.014 nan 8.190 nan 0.000 0.478 422 I N 0.823 120.974 120.570 -0.697 0.000 2.494 422 I HA -0.005 4.166 4.170 0.001 0.000 0.250 422 I C 2.688 178.472 176.117 -0.555 0.000 1.112 422 I CA 1.153 62.039 61.300 -0.690 0.000 1.438 422 I CB -0.405 36.940 38.000 -1.091 0.000 1.111 422 I HN 0.252 nan 8.210 nan 0.000 0.431 423 A N 1.836 124.346 122.820 -0.516 0.000 1.892 423 A HA -0.143 4.177 4.320 0.001 0.000 0.218 423 A C -0.010 177.487 177.584 -0.146 0.000 1.188 423 A CA 1.907 53.814 52.037 -0.216 0.000 0.631 423 A CB -1.993 16.966 19.000 -0.069 0.000 0.822 423 A HN 0.257 nan 8.150 nan 0.000 0.447 424 P HA -0.112 nan 4.420 nan 0.000 0.218 424 P C 1.279 178.524 177.300 -0.090 0.000 1.148 424 P CA 0.871 63.910 63.100 -0.101 0.000 0.822 424 P CB -0.111 31.526 31.700 -0.106 0.000 0.784 425 I N -0.617 119.875 120.570 -0.129 0.000 2.179 425 I HA -0.235 3.935 4.170 0.001 0.000 0.242 425 I C 1.855 177.932 176.117 -0.068 0.000 1.088 425 I CA 1.375 62.614 61.300 -0.102 0.000 1.357 425 I CB -0.555 37.362 38.000 -0.138 0.000 1.051 425 I HN -0.033 nan 8.210 nan 0.000 0.409 426 N N 0.579 119.231 118.700 -0.079 0.000 2.409 426 N HA -0.131 4.609 4.740 0.001 0.000 0.179 426 N C 1.706 177.203 175.510 -0.023 0.000 1.032 426 N CA 0.744 53.767 53.050 -0.045 0.000 0.898 426 N CB -0.057 38.403 38.487 -0.046 0.000 0.971 426 N HN 0.254 nan 8.380 nan 0.000 0.441 427 K N 1.745 122.129 120.400 -0.026 0.000 1.985 427 K HA -0.063 4.257 4.320 0.001 0.000 0.210 427 K C 1.906 178.511 176.600 0.008 0.000 1.047 427 K CA 1.281 57.562 56.287 -0.010 0.000 0.932 427 K CB -0.079 32.410 32.500 -0.018 0.000 0.716 427 K HN -0.030 nan 8.250 nan 0.000 0.439 428 K N 0.192 120.602 120.400 0.017 0.000 2.283 428 K HA -0.087 4.233 4.320 0.001 0.000 0.202 428 K C 2.123 178.806 176.600 0.139 0.000 1.048 428 K CA 0.879 57.204 56.287 0.063 0.000 0.948 428 K CB -0.022 32.519 32.500 0.068 0.000 0.742 428 K HN 0.046 nan 8.250 nan 0.000 0.458 429 R N 0.846 121.400 120.500 0.090 0.000 2.105 429 R HA -0.140 4.200 4.340 0.001 0.000 0.239 429 R C 1.892 178.291 176.300 0.165 0.000 1.135 429 R CA 1.514 57.686 56.100 0.119 0.000 0.967 429 R CB -0.041 30.284 30.300 0.042 0.000 0.861 429 R HN 0.196 nan 8.270 nan 0.000 0.442 430 R N 0.322 120.872 120.500 0.083 0.000 2.127 430 R HA -0.151 4.190 4.340 0.001 0.000 0.238 430 R C 2.042 178.366 176.300 0.039 0.000 1.134 430 R CA 1.815 57.944 56.100 0.048 0.000 0.975 430 R CB -0.192 30.114 30.300 0.011 0.000 0.865 430 R HN 0.458 nan 8.270 nan 0.000 0.447 431 E N -0.361 119.861 120.200 0.036 0.000 2.204 431 E HA -0.189 4.162 4.350 0.001 0.000 0.195 431 E C 1.233 177.703 176.600 -0.218 0.000 0.990 431 E CA 1.093 57.434 56.400 -0.098 0.000 0.821 431 E CB -0.023 29.575 29.700 -0.169 0.000 0.750 431 E HN 0.502 nan 8.360 nan 0.000 0.477 432 Y N -1.051 119.134 120.300 -0.191 0.000 2.519 432 Y HA -0.017 4.533 4.550 0.001 0.000 0.287 432 Y C 2.309 178.030 175.900 -0.299 0.000 1.128 432 Y CA 0.629 58.487 58.100 -0.404 0.000 1.282 432 Y CB 0.664 38.646 38.460 -0.796 0.000 1.027 432 Y HN -0.037 nan 8.280 nan 0.000 0.551 433 S N -1.670 114.060 115.700 0.050 0.000 3.798 433 S HA -0.012 4.458 4.470 0.001 0.000 0.227 433 S C 1.569 176.204 174.600 0.059 0.000 1.126 433 S CA 0.212 58.471 58.200 0.099 0.000 1.030 433 S CB -0.621 62.738 63.200 0.264 0.000 1.189 433 S HN 0.068 nan 8.310 nan 0.000 0.464 434 K N 2.448 122.882 120.400 0.056 0.000 2.034 434 K HA 0.110 4.430 4.320 0.001 0.000 0.214 434 K C 0.741 177.346 176.600 0.008 0.000 1.051 434 K CA 1.836 58.135 56.287 0.020 0.000 0.931 434 K CB -0.678 31.821 32.500 -0.001 0.000 0.715 434 K HN 0.505 nan 8.250 nan 0.000 0.446 435 A N 0.000 122.818 122.820 -0.003 0.000 2.254 435 A HA 0.000 4.320 4.320 0.001 0.000 0.244 435 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 435 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486