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 3ibr_1_B DATA FIRST_RESID 6 DATA SEQUENCE PVTLANCEDE PIHVPGAIQP HGALVTLRAD GXVLAASENI QALLGFVASP DATA SEQUENCE GSYLTQEQVG PEVLRXLEEG LTGNGPWSNS VETRIGEHLF DVIGHSYKEV DATA SEQUENCE FYLEFEIRTA DTLSITSFTL NAQRIIAQVQ LHNDTASLLS NVTDELRRXT DATA SEQUENCE GYDRVXAYRF RHDDSGEVVA ESRREDLESY LGLRYPASDI PAQARRLYIQ DATA SEQUENCE NPIRLIADVA YTPXRVFPAL NPETNESFDL SYSVLRSVSP IHCEYLTNXG DATA SEQUENCE VRASXSISIV VGGKLWGLFS CHHXSPKLIP YPVRXSFQIF SQVCSAIVER DATA SEQUENCE LEQGRIAELL RVSTERRLAL ARRARDADDL FGALAHPDDG IAALIPCDGA DATA SEQUENCE LVXLGGRTLS IRXXXERQAG NVLQRLQRDP ERDIYHTDNW XXXXXXXXXX DATA SEQUENCE GDCCGVLAIR FXXXXXGWIF WFRHEEVHXX XXXXXXXXXX XXGPSGPRLT DATA SEQUENCE PRGSFEAWEE VVRGHSTPWS ETDLAIAEKL RLDLXELCL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.026 0.000 1.155 6 P CA 0.000 63.114 63.100 0.023 0.000 0.800 6 P CB 0.000 31.713 31.700 0.021 0.000 0.726 7 V N -0.947 118.984 119.914 0.028 0.000 2.334 7 V HA 0.864 4.980 4.120 -0.006 0.000 0.281 7 V C 0.138 176.255 176.094 0.037 0.000 1.016 7 V CA 0.069 62.390 62.300 0.035 0.000 0.832 7 V CB 0.802 32.650 31.823 0.041 0.000 0.999 7 V HN 0.847 nan 8.190 nan 0.000 0.439 8 T N 1.977 116.554 114.554 0.038 0.000 2.883 8 T HA 0.556 4.903 4.350 -0.006 0.000 0.284 8 T C 0.688 175.416 174.700 0.047 0.000 1.041 8 T CA -0.856 61.268 62.100 0.039 0.000 1.007 8 T CB 1.557 70.443 68.868 0.031 0.000 1.220 8 T HN 0.275 nan 8.240 nan 0.000 0.552 9 L N 0.275 121.526 121.223 0.047 0.000 2.549 9 L HA 0.170 4.506 4.340 -0.006 0.000 0.229 9 L C 2.478 179.378 176.870 0.050 0.000 1.158 9 L CA 1.465 56.338 54.840 0.055 0.000 0.842 9 L CB -2.068 40.021 42.059 0.050 0.000 0.952 9 L HN 0.957 nan 8.230 nan 0.000 0.452 10 A N -0.948 121.897 122.820 0.042 0.000 2.014 10 A HA 0.033 4.350 4.320 -0.006 0.000 0.210 10 A C 1.659 179.266 177.584 0.037 0.000 1.188 10 A CA 0.264 52.324 52.037 0.037 0.000 0.731 10 A CB -0.072 18.946 19.000 0.030 0.000 0.858 10 A HN 0.309 nan 8.150 nan 0.000 0.464 11 N N -0.107 118.616 118.700 0.039 0.000 2.276 11 N HA -0.005 4.732 4.740 -0.006 0.000 0.212 11 N C 1.349 176.885 175.510 0.044 0.000 1.127 11 N CA 0.706 53.778 53.050 0.037 0.000 0.834 11 N CB -0.260 38.247 38.487 0.033 0.000 1.014 11 N HN 0.680 nan 8.380 nan 0.000 0.491 12 C N 0.699 120.030 119.300 0.052 0.000 2.476 12 C HA -0.003 4.454 4.460 -0.006 0.000 0.278 12 C C 1.892 176.916 174.990 0.056 0.000 1.274 12 C CA 0.680 59.736 59.018 0.064 0.000 1.713 12 C CB -0.573 27.216 27.740 0.082 0.000 2.039 12 C HN 0.361 nan 8.230 nan 0.000 0.484 13 E N 0.848 121.077 120.200 0.049 0.000 2.482 13 E HA 0.057 4.403 4.350 -0.006 0.000 0.196 13 E C 0.874 177.491 176.600 0.028 0.000 1.047 13 E CA 0.969 57.392 56.400 0.039 0.000 0.869 13 E CB -0.380 29.343 29.700 0.038 0.000 0.836 13 E HN 0.614 nan 8.360 nan 0.000 0.520 14 D N 0.534 120.953 120.400 0.032 0.000 2.433 14 D HA -0.006 4.630 4.640 -0.006 0.000 0.211 14 D C -0.312 176.009 176.300 0.034 0.000 1.114 14 D CA -0.031 53.988 54.000 0.030 0.000 0.837 14 D CB 0.188 41.006 40.800 0.029 0.000 0.984 14 D HN 0.266 nan 8.370 nan 0.000 0.505 15 E N 2.593 122.813 120.200 0.033 0.000 2.299 15 E HA 0.095 4.441 4.350 -0.006 0.000 0.272 15 E C -2.304 174.314 176.600 0.030 0.000 1.043 15 E CA -1.606 54.811 56.400 0.029 0.000 0.895 15 E CB 0.898 30.618 29.700 0.033 0.000 1.011 15 E HN -0.159 nan 8.360 nan 0.000 0.432 16 P HA 0.095 nan 4.420 nan 0.000 0.268 16 P C 0.275 177.504 177.300 -0.118 0.000 1.541 16 P CA 0.047 63.121 63.100 -0.043 0.000 1.093 16 P CB -0.185 31.416 31.700 -0.164 0.000 1.551 17 I N -0.301 120.274 120.570 0.008 0.000 3.564 17 I HA -0.049 4.118 4.170 -0.006 0.000 0.294 17 I C 1.596 177.710 176.117 -0.004 0.000 1.289 17 I CA 0.283 61.580 61.300 -0.005 0.000 1.325 17 I CB -0.860 37.145 38.000 0.008 0.000 1.039 17 I HN 0.259 nan 8.210 nan 0.000 0.474 18 H N 0.634 119.687 119.070 -0.028 0.000 2.535 18 H HA 0.191 4.743 4.556 -0.006 0.000 0.273 18 H C 1.181 176.526 175.328 0.029 0.000 0.983 18 H CA 0.613 56.645 56.048 -0.027 0.000 1.238 18 H CB 0.065 29.803 29.762 -0.040 0.000 1.412 18 H HN 0.388 nan 8.280 nan 0.000 0.562 19 V N 2.679 122.400 119.914 -0.322 0.000 2.838 19 V HA 0.167 4.283 4.120 -0.006 0.000 0.363 19 V C -1.714 174.342 176.094 -0.064 0.000 1.324 19 V CA -1.052 61.155 62.300 -0.155 0.000 1.220 19 V CB 0.922 32.597 31.823 -0.247 0.000 1.328 19 V HN 0.108 nan 8.190 nan 0.000 0.595 20 P HA 0.020 nan 4.420 nan 0.000 0.219 20 P C 1.248 178.551 177.300 0.006 0.000 1.146 20 P CA 1.677 64.771 63.100 -0.009 0.000 0.808 20 P CB -0.058 31.650 31.700 0.014 0.000 0.779 21 G N -1.237 107.577 108.800 0.023 0.000 2.198 21 G HA2 -0.022 3.935 3.960 -0.006 0.000 0.260 21 G HA3 -0.022 3.935 3.960 -0.006 0.000 0.260 21 G C 0.226 175.087 174.900 -0.066 0.000 1.025 21 G CA 0.087 45.186 45.100 -0.001 0.000 0.769 21 G HN 0.793 nan 8.290 nan 0.000 0.507 22 A N -1.081 121.720 122.820 -0.033 0.000 2.610 22 A HA 0.960 5.277 4.320 -0.006 0.000 0.291 22 A C -0.438 177.143 177.584 -0.005 0.000 1.086 22 A CA -0.260 51.754 52.037 -0.038 0.000 0.677 22 A CB 1.343 20.340 19.000 -0.004 0.000 1.278 22 A HN 1.799 nan 8.150 nan 0.000 0.414 23 I N -2.317 118.247 120.570 -0.011 0.000 3.074 23 I HA 0.601 4.767 4.170 -0.006 0.000 0.310 23 I C -0.400 175.684 176.117 -0.054 0.000 1.153 23 I CA -1.070 60.207 61.300 -0.038 0.000 0.993 23 I CB 1.846 39.809 38.000 -0.062 0.000 1.237 23 I HN 0.718 nan 8.210 nan 0.000 0.443 24 Q N 2.185 121.868 119.800 -0.195 0.000 2.443 24 Q HA 0.269 4.605 4.340 -0.006 0.000 0.232 24 Q C -1.937 173.937 176.000 -0.210 0.000 1.026 24 Q CA -1.365 54.242 55.803 -0.327 0.000 0.924 24 Q CB 0.371 28.855 28.738 -0.422 0.000 1.256 24 Q HN 0.483 nan 8.270 nan 0.000 0.519 25 P HA -0.060 nan 4.420 nan 0.000 0.251 25 P C 0.140 177.436 177.300 -0.007 0.000 1.223 25 P CA 0.760 63.861 63.100 0.002 0.000 0.796 25 P CB 0.131 31.896 31.700 0.107 0.000 1.068 26 H N -1.339 117.731 119.070 0.001 0.000 2.556 26 H HA 0.402 4.954 4.556 -0.006 0.000 0.273 26 H C 0.487 175.847 175.328 0.054 0.000 1.030 26 H CA 0.466 56.521 56.048 0.011 0.000 1.156 26 H CB -0.250 29.506 29.762 -0.010 0.000 1.326 26 H HN 0.013 nan 8.280 nan 0.000 0.609 27 G N -0.778 107.941 108.800 -0.135 0.000 2.554 27 G HA2 0.578 4.534 3.960 -0.006 0.000 0.306 27 G HA3 0.578 4.534 3.960 -0.006 0.000 0.306 27 G C -1.824 173.084 174.900 0.012 0.000 1.320 27 G CA -0.326 44.782 45.100 0.014 0.000 0.800 27 G HN 0.553 nan 8.290 nan 0.000 0.481 28 A N -1.257 121.621 122.820 0.097 0.000 2.556 28 A HA 0.833 5.149 4.320 -0.006 0.000 0.294 28 A C -1.950 175.735 177.584 0.168 0.000 1.091 28 A CA -0.572 51.503 52.037 0.063 0.000 0.704 28 A CB 2.068 21.055 19.000 -0.022 0.000 1.300 28 A HN 1.709 nan 8.150 nan 0.000 0.406 29 L N 1.083 122.363 121.223 0.095 0.000 2.365 29 L HA 0.815 5.151 4.340 -0.006 0.000 0.273 29 L C -1.200 175.723 176.870 0.089 0.000 1.000 29 L CA -0.472 54.449 54.840 0.135 0.000 0.819 29 L CB 2.029 44.135 42.059 0.078 0.000 1.284 29 L HN 0.523 nan 8.230 nan 0.000 0.418 30 V N 2.586 122.592 119.914 0.153 0.000 2.638 30 V HA 0.714 4.830 4.120 -0.006 0.000 0.306 30 V C -0.131 175.972 176.094 0.014 0.000 1.052 30 V CA -0.371 61.957 62.300 0.047 0.000 0.885 30 V CB 1.953 33.831 31.823 0.092 0.000 0.999 30 V HN 0.890 nan 8.190 nan 0.000 0.424 31 T N 2.910 117.400 114.554 -0.107 0.000 2.912 31 T HA 0.920 5.267 4.350 -0.006 0.000 0.288 31 T C -1.102 173.528 174.700 -0.117 0.000 1.030 31 T CA -0.617 61.376 62.100 -0.178 0.000 1.020 31 T CB 1.687 70.362 68.868 -0.322 0.000 1.056 31 T HN 0.327 nan 8.240 nan 0.000 0.480 32 L N 1.208 122.381 121.223 -0.083 0.000 2.465 32 L HA 0.660 4.996 4.340 -0.006 0.000 0.257 32 L C 0.217 177.082 176.870 -0.008 0.000 0.988 32 L CA -1.162 53.635 54.840 -0.072 0.000 0.827 32 L CB 1.896 43.885 42.059 -0.116 0.000 1.397 32 L HN 1.016 nan 8.230 nan 0.000 0.410 33 R N 0.735 121.212 120.500 -0.039 0.000 2.574 33 R HA 0.753 5.089 4.340 -0.006 0.000 0.266 33 R C 0.890 177.183 176.300 -0.011 0.000 1.157 33 R CA 0.011 56.117 56.100 0.011 0.000 1.187 33 R CB 0.305 30.595 30.300 -0.016 0.000 1.179 33 R HN 0.659 nan 8.270 nan 0.000 0.600 34 A N 0.336 123.180 122.820 0.040 0.000 2.139 34 A HA -0.204 4.113 4.320 -0.006 0.000 0.221 34 A C 1.147 178.640 177.584 -0.151 0.000 1.159 34 A CA 1.832 53.870 52.037 0.002 0.000 0.662 34 A CB -0.819 18.220 19.000 0.066 0.000 0.796 34 A HN 0.892 nan 8.150 nan 0.000 0.463 35 D N -2.500 117.840 120.400 -0.100 0.000 2.369 35 D HA 0.386 5.022 4.640 -0.006 0.000 0.211 35 D C 0.855 177.145 176.300 -0.018 0.000 1.077 35 D CA 0.792 54.763 54.000 -0.048 0.000 0.842 35 D CB -0.425 40.401 40.800 0.044 0.000 0.947 35 D HN 0.955 nan 8.370 nan 0.000 0.509 39 L N 2.539 123.707 121.223 -0.092 0.000 2.354 39 L HA 0.775 5.111 4.340 -0.006 0.000 0.212 39 L C 0.935 177.811 176.870 0.010 0.000 1.091 39 L CA 1.382 56.227 54.840 0.008 0.000 0.828 39 L CB 0.471 42.611 42.059 0.133 0.000 0.973 39 L HN 0.870 nan 8.230 nan 0.000 0.461 40 A N -0.715 122.039 122.820 -0.109 0.000 2.567 40 A HA 0.824 5.140 4.320 -0.006 0.000 0.291 40 A C -1.809 175.653 177.584 -0.204 0.000 1.048 40 A CA 0.054 51.983 52.037 -0.180 0.000 0.661 40 A CB 0.883 19.646 19.000 -0.394 0.000 1.288 40 A HN -0.016 nan 8.150 nan 0.000 0.424 41 A N 0.125 122.849 122.820 -0.161 0.000 2.604 41 A HA 0.837 5.153 4.320 -0.006 0.000 0.295 41 A C 0.022 177.534 177.584 -0.120 0.000 1.067 41 A CA 0.204 52.160 52.037 -0.135 0.000 0.683 41 A CB 0.680 19.604 19.000 -0.127 0.000 1.281 41 A HN 2.371 nan 8.150 nan 0.000 0.407 42 S N 0.149 115.786 115.700 -0.105 0.000 2.576 42 S HA 0.229 4.695 4.470 -0.006 0.000 0.272 42 S C 0.642 175.208 174.600 -0.057 0.000 1.352 42 S CA 0.445 58.582 58.200 -0.104 0.000 1.021 42 S CB 0.426 63.585 63.200 -0.068 0.000 0.887 42 S HN 0.837 nan 8.310 nan 0.000 0.542 43 E N 0.760 120.936 120.200 -0.041 0.000 2.511 43 E HA -0.091 4.255 4.350 -0.006 0.000 0.196 43 E C 0.922 177.546 176.600 0.040 0.000 1.066 43 E CA 0.500 56.932 56.400 0.054 0.000 0.871 43 E CB -0.405 29.369 29.700 0.124 0.000 0.863 43 E HN 0.755 nan 8.360 nan 0.000 0.520 44 N N 1.585 120.291 118.700 0.009 0.000 2.236 44 N HA -0.035 4.701 4.740 -0.006 0.000 0.196 44 N C 1.537 177.046 175.510 -0.002 0.000 1.114 44 N CA 0.287 53.347 53.050 0.017 0.000 0.859 44 N CB -0.242 38.258 38.487 0.021 0.000 0.982 44 N HN 0.270 nan 8.380 nan 0.000 0.493 45 I N 0.739 121.285 120.570 -0.039 0.000 2.068 45 I HA -0.344 3.822 4.170 -0.006 0.000 0.238 45 I C 2.677 178.770 176.117 -0.041 0.000 1.046 45 I CA 1.660 62.903 61.300 -0.095 0.000 1.306 45 I CB -1.288 36.621 38.000 -0.152 0.000 1.023 45 I HN 0.118 nan 8.210 nan 0.000 0.399 46 Q N 0.893 120.694 119.800 0.000 0.000 2.062 46 Q HA -0.316 4.021 4.340 -0.006 0.000 0.209 46 Q C 2.319 178.345 176.000 0.042 0.000 0.996 46 Q CA 2.683 58.506 55.803 0.033 0.000 0.859 46 Q CB -0.347 28.416 28.738 0.043 0.000 0.920 46 Q HN 0.671 nan 8.270 nan 0.000 0.415 47 A N 0.356 123.203 122.820 0.045 0.000 1.865 47 A HA -0.217 4.099 4.320 -0.006 0.000 0.217 47 A C 1.995 179.637 177.584 0.096 0.000 1.191 47 A CA 1.615 53.690 52.037 0.064 0.000 0.623 47 A CB -0.845 18.190 19.000 0.060 0.000 0.826 47 A HN 0.456 nan 8.150 nan 0.000 0.444 48 L N -1.439 119.837 121.223 0.088 0.000 2.056 48 L HA 0.012 4.349 4.340 -0.006 0.000 0.207 48 L C 1.994 178.987 176.870 0.206 0.000 1.078 48 L CA 1.700 56.634 54.840 0.157 0.000 0.749 48 L CB -0.068 42.058 42.059 0.112 0.000 0.901 48 L HN 0.417 nan 8.230 nan 0.000 0.433 49 L N -2.945 118.314 121.223 0.061 0.000 2.948 49 L HA 0.391 4.727 4.340 -0.006 0.000 0.259 49 L C 1.285 178.164 176.870 0.015 0.000 1.136 49 L CA 0.440 55.277 54.840 -0.005 0.000 0.959 49 L CB 0.229 42.136 42.059 -0.254 0.000 1.370 49 L HN 0.221 nan 8.230 nan 0.000 0.552 50 G N 0.963 109.783 108.800 0.034 0.000 2.160 50 G HA2 -0.326 3.630 3.960 -0.006 0.000 0.251 50 G HA3 -0.326 3.630 3.960 -0.006 0.000 0.251 50 G C 0.005 174.929 174.900 0.040 0.000 1.008 50 G CA 0.183 45.300 45.100 0.029 0.000 0.724 50 G HN 0.260 nan 8.290 nan 0.000 0.514 51 F N -0.537 119.365 119.950 -0.081 0.000 2.497 51 F HA 0.629 5.153 4.527 -0.006 0.000 0.331 51 F C 0.352 176.115 175.800 -0.062 0.000 1.060 51 F CA -1.352 56.603 58.000 -0.075 0.000 0.989 51 F CB 1.991 40.923 39.000 -0.113 0.000 1.245 51 F HN -0.074 nan 8.300 nan 0.000 0.486 52 V N 3.979 124.181 119.914 0.481 0.000 2.260 52 V HA 0.309 4.425 4.120 -0.006 0.000 0.263 52 V C -0.006 176.066 176.094 -0.037 0.000 1.036 52 V CA -0.867 61.519 62.300 0.144 0.000 0.874 52 V CB 0.454 32.344 31.823 0.111 0.000 1.116 52 V HN 0.828 nan 8.190 nan 0.000 0.454 53 A N 3.473 126.084 122.820 -0.349 0.000 2.563 53 A HA 0.423 4.739 4.320 -0.006 0.000 0.256 53 A C 0.745 178.187 177.584 -0.237 0.000 1.056 53 A CA 0.697 52.413 52.037 -0.536 0.000 0.775 53 A CB -0.141 18.562 19.000 -0.497 0.000 0.973 53 A HN 1.022 nan 8.150 nan 0.000 0.516 54 S N 2.805 118.392 115.700 -0.187 0.000 2.521 54 S HA 0.701 5.167 4.470 -0.006 0.000 0.295 54 S C -3.095 171.449 174.600 -0.093 0.000 1.098 54 S CA -1.796 56.351 58.200 -0.089 0.000 0.999 54 S CB 1.704 64.886 63.200 -0.030 0.000 1.034 54 S HN 0.415 nan 8.310 nan 0.000 0.483 55 P HA 0.290 nan 4.420 nan 0.000 0.261 55 P C 1.157 178.415 177.300 -0.070 0.000 1.183 55 P CA 1.310 64.369 63.100 -0.069 0.000 0.761 55 P CB 0.157 31.843 31.700 -0.024 0.000 0.785 56 G N 1.789 110.517 108.800 -0.120 0.000 2.232 56 G HA2 -0.244 3.712 3.960 -0.006 0.000 0.226 56 G HA3 -0.244 3.712 3.960 -0.006 0.000 0.226 56 G C 0.557 175.387 174.900 -0.118 0.000 0.996 56 G CA 0.185 45.223 45.100 -0.104 0.000 0.626 56 G HN 0.791 nan 8.290 nan 0.000 0.509 57 S N -0.307 115.323 115.700 -0.116 0.000 2.589 57 S HA 0.643 5.109 4.470 -0.006 0.000 0.265 57 S C -0.059 174.427 174.600 -0.189 0.000 1.342 57 S CA -0.078 58.103 58.200 -0.031 0.000 1.005 57 S CB 0.460 63.638 63.200 -0.037 0.000 0.909 57 S HN 0.447 nan 8.310 nan 0.000 0.555 58 Y N 1.589 121.894 120.300 0.008 0.000 2.429 58 Y HA 0.450 4.996 4.550 -0.006 0.000 0.342 58 Y C 0.163 176.105 175.900 0.070 0.000 1.004 58 Y CA -1.493 56.610 58.100 0.004 0.000 1.075 58 Y CB 1.010 39.468 38.460 -0.003 0.000 1.214 58 Y HN 0.385 nan 8.280 nan 0.000 0.455 59 L N 2.295 123.628 121.223 0.183 0.000 2.467 59 L HA 0.285 4.621 4.340 -0.006 0.000 0.270 59 L C 0.491 177.516 176.870 0.260 0.000 1.205 59 L CA 0.134 55.139 54.840 0.274 0.000 0.828 59 L CB 0.093 42.271 42.059 0.198 0.000 1.101 59 L HN 0.830 nan 8.230 nan 0.000 0.479 60 T N -2.174 112.539 114.554 0.264 0.000 2.903 60 T HA 0.306 4.653 4.350 -0.006 0.000 0.299 60 T C 0.626 175.369 174.700 0.072 0.000 1.093 60 T CA -0.780 61.394 62.100 0.123 0.000 1.002 60 T CB 1.784 70.696 68.868 0.074 0.000 1.127 60 T HN 0.521 nan 8.240 nan 0.000 0.488 61 Q N 0.308 120.134 119.800 0.044 0.000 2.268 61 Q HA -0.235 4.101 4.340 -0.006 0.000 0.213 61 Q C 1.090 177.091 176.000 0.003 0.000 0.995 61 Q CA 2.127 57.947 55.803 0.030 0.000 0.901 61 Q CB -0.205 28.543 28.738 0.016 0.000 0.921 61 Q HN 0.754 nan 8.270 nan 0.000 0.421 62 E N -0.506 119.672 120.200 -0.037 0.000 2.463 62 E HA -0.083 4.263 4.350 -0.006 0.000 0.191 62 E C 0.662 177.167 176.600 -0.158 0.000 1.083 62 E CA 0.359 56.709 56.400 -0.082 0.000 0.872 62 E CB 0.383 30.028 29.700 -0.092 0.000 0.966 62 E HN 0.321 nan 8.360 nan 0.000 0.491 63 Q N -2.050 117.653 119.800 -0.161 0.000 2.123 63 Q HA 0.213 4.549 4.340 -0.006 0.000 0.244 63 Q C 1.104 177.102 176.000 -0.003 0.000 0.769 63 Q CA 0.049 55.714 55.803 -0.230 0.000 0.938 63 Q CB 1.156 29.419 28.738 -0.792 0.000 1.170 63 Q HN 0.070 nan 8.270 nan 0.000 0.469 64 V N -0.701 119.259 119.914 0.077 0.000 3.497 64 V HA 0.504 4.621 4.120 -0.006 0.000 0.272 64 V C 0.362 176.532 176.094 0.127 0.000 1.474 64 V CA 0.755 63.151 62.300 0.160 0.000 1.025 64 V CB 1.232 33.203 31.823 0.248 0.000 0.820 64 V HN 0.424 nan 8.190 nan 0.000 0.437 65 G N 1.250 110.099 108.800 0.082 0.000 2.705 65 G HA2 -0.107 3.850 3.960 -0.006 0.000 0.686 65 G HA3 -0.107 3.850 3.960 -0.006 0.000 0.686 65 G C -2.036 172.904 174.900 0.067 0.000 1.285 65 G CA -0.186 44.955 45.100 0.069 0.000 0.800 65 G HN 0.183 nan 8.290 nan 0.000 0.611 66 P HA 0.061 nan 4.420 nan 0.000 0.225 66 P C 1.424 178.753 177.300 0.048 0.000 1.156 66 P CA 1.426 64.551 63.100 0.042 0.000 0.787 66 P CB 0.182 31.901 31.700 0.030 0.000 0.802 67 E N -0.451 119.782 120.200 0.056 0.000 2.077 67 E HA -0.105 4.241 4.350 -0.006 0.000 0.193 67 E C 1.965 178.604 176.600 0.065 0.000 0.989 67 E CA 0.946 57.380 56.400 0.058 0.000 0.800 67 E CB -0.667 29.069 29.700 0.061 0.000 0.746 67 E HN 0.007 nan 8.360 nan 0.000 0.452 68 V N 1.580 121.539 119.914 0.076 0.000 2.237 68 V HA -0.270 3.846 4.120 -0.006 0.000 0.245 68 V C 2.327 178.466 176.094 0.074 0.000 1.046 68 V CA 1.608 63.956 62.300 0.080 0.000 1.007 68 V CB -0.484 31.405 31.823 0.109 0.000 0.638 68 V HN 0.281 nan 8.190 nan 0.000 0.445 69 L N -0.442 120.822 121.223 0.067 0.000 2.013 69 L HA -0.177 4.160 4.340 -0.006 0.000 0.212 69 L C 1.962 178.845 176.870 0.021 0.000 1.073 69 L CA 1.234 56.098 54.840 0.040 0.000 0.753 69 L CB -0.661 41.423 42.059 0.042 0.000 0.890 69 L HN 0.336 nan 8.230 nan 0.000 0.432 73 E N 1.246 121.345 120.200 -0.168 0.000 2.085 73 E HA -0.269 4.077 4.350 -0.006 0.000 0.194 73 E C 1.505 178.002 176.600 -0.171 0.000 0.994 73 E CA 1.883 58.184 56.400 -0.165 0.000 0.801 73 E CB -0.031 29.620 29.700 -0.082 0.000 0.743 73 E HN 0.814 nan 8.360 nan 0.000 0.453 74 E N -0.117 120.025 120.200 -0.097 0.000 2.418 74 E HA -0.059 4.288 4.350 -0.006 0.000 0.197 74 E C 1.894 178.419 176.600 -0.125 0.000 1.026 74 E CA 1.027 57.405 56.400 -0.037 0.000 0.862 74 E CB -0.127 29.618 29.700 0.076 0.000 0.799 74 E HN 0.146 nan 8.360 nan 0.000 0.518 75 G N 0.952 109.486 108.800 -0.442 0.000 2.441 75 G HA2 -0.090 3.866 3.960 -0.006 0.000 0.212 75 G HA3 -0.090 3.866 3.960 -0.006 0.000 0.212 75 G C 1.423 175.992 174.900 -0.552 0.000 1.164 75 G CA 0.152 44.633 45.100 -1.033 0.000 0.811 75 G HN 0.126 nan 8.290 nan 0.000 0.535 76 L N 1.767 122.632 121.223 -0.597 0.000 2.141 76 L HA 0.050 4.386 4.340 -0.006 0.000 0.209 76 L C 2.784 179.521 176.870 -0.221 0.000 1.094 76 L CA 2.008 56.547 54.840 -0.502 0.000 0.763 76 L CB -0.865 40.917 42.059 -0.463 0.000 0.908 76 L HN 0.408 nan 8.230 nan 0.000 0.437 77 T N -3.633 110.825 114.554 -0.159 0.000 3.145 77 T HA 0.385 4.731 4.350 -0.006 0.000 0.255 77 T C 0.803 175.486 174.700 -0.029 0.000 1.039 77 T CA -0.009 62.045 62.100 -0.076 0.000 0.928 77 T CB -0.307 68.523 68.868 -0.064 0.000 1.029 77 T HN 0.174 nan 8.240 nan 0.000 0.554 78 G N 0.369 109.158 108.800 -0.018 0.000 2.451 78 G HA2 0.440 4.397 3.960 -0.006 0.000 0.303 78 G HA3 0.440 4.397 3.960 -0.006 0.000 0.303 78 G C 0.305 175.250 174.900 0.074 0.000 1.166 78 G CA -0.711 44.418 45.100 0.048 0.000 0.884 78 G HN 0.121 nan 8.290 nan 0.000 0.514 79 N N 0.108 118.856 118.700 0.081 0.000 2.436 79 N HA 0.062 4.798 4.740 -0.006 0.000 0.178 79 N C 1.350 176.910 175.510 0.084 0.000 1.026 79 N CA 0.686 53.779 53.050 0.071 0.000 0.880 79 N CB 0.363 38.881 38.487 0.051 0.000 1.061 79 N HN 0.563 nan 8.380 nan 0.000 0.434 80 G N 0.998 109.858 108.800 0.100 0.000 2.557 80 G HA2 0.470 4.426 3.960 -0.006 0.000 0.302 80 G HA3 0.470 4.426 3.960 -0.006 0.000 0.302 80 G C -2.452 172.522 174.900 0.123 0.000 1.311 80 G CA -0.816 44.339 45.100 0.093 0.000 1.030 80 G HN -0.057 nan 8.290 nan 0.000 0.509 81 P HA 0.039 nan 4.420 nan 0.000 0.260 81 P C -0.990 176.405 177.300 0.159 0.000 1.185 81 P CA 0.143 63.295 63.100 0.087 0.000 0.763 81 P CB 0.366 32.079 31.700 0.022 0.000 0.776 82 W N 4.140 125.423 121.300 -0.028 0.000 2.376 82 W HA 0.558 5.214 4.660 -0.006 0.000 0.322 82 W C -0.467 176.080 176.519 0.047 0.000 1.160 82 W CA 0.007 57.368 57.345 0.028 0.000 1.218 82 W CB 1.205 30.712 29.460 0.078 0.000 1.205 82 W HN 0.261 nan 8.180 nan 0.000 0.559 83 S N 4.977 120.282 115.700 -0.658 0.000 2.548 83 S HA 0.547 5.013 4.470 -0.006 0.000 0.278 83 S C -1.533 172.606 174.600 -0.768 0.000 1.150 83 S CA -0.564 57.221 58.200 -0.691 0.000 0.907 83 S CB 0.810 63.846 63.200 -0.273 0.000 1.108 83 S HN 0.666 nan 8.310 nan 0.000 0.459 84 N N 0.676 118.933 118.700 -0.739 0.000 3.836 84 N HA 0.583 5.319 4.740 -0.006 0.000 0.229 84 N C -1.947 173.383 175.510 -0.300 0.000 1.375 84 N CA 0.405 53.224 53.050 -0.384 0.000 0.838 84 N CB 1.376 39.728 38.487 -0.224 0.000 1.447 84 N HN 0.978 nan 8.380 nan 0.000 0.458 85 S N -0.834 114.779 115.700 -0.146 0.000 2.615 85 S HA 0.773 5.239 4.470 -0.006 0.000 0.268 85 S C -1.982 172.575 174.600 -0.071 0.000 1.146 85 S CA -0.595 57.503 58.200 -0.171 0.000 0.818 85 S CB 1.304 64.288 63.200 -0.360 0.000 1.111 85 S HN 0.540 nan 8.310 nan 0.000 0.465 86 V N 0.570 120.441 119.914 -0.072 0.000 2.969 86 V HA 0.532 4.648 4.120 -0.006 0.000 0.304 86 V C -1.258 174.841 176.094 0.008 0.000 1.192 86 V CA -0.470 61.825 62.300 -0.009 0.000 0.962 86 V CB 2.099 33.935 31.823 0.021 0.000 1.045 86 V HN 1.040 nan 8.190 nan 0.000 0.428 87 E N 2.198 122.420 120.200 0.037 0.000 2.136 87 E HA 0.391 4.737 4.350 -0.006 0.000 0.246 87 E C -0.364 176.291 176.600 0.092 0.000 1.017 87 E CA -0.008 56.433 56.400 0.067 0.000 0.883 87 E CB 0.929 30.663 29.700 0.057 0.000 1.199 87 E HN 0.707 nan 8.360 nan 0.000 0.447 88 T N 2.104 116.736 114.554 0.131 0.000 2.927 88 T HA 0.348 4.695 4.350 -0.006 0.000 0.281 88 T C -0.466 174.360 174.700 0.209 0.000 0.998 88 T CA -0.671 61.516 62.100 0.145 0.000 1.019 88 T CB 0.908 69.859 68.868 0.140 0.000 1.061 88 T HN 0.363 nan 8.240 nan 0.000 0.518 89 R N 3.762 124.369 120.500 0.178 0.000 2.343 89 R HA 0.575 4.912 4.340 -0.006 0.000 0.320 89 R C -0.464 175.969 176.300 0.222 0.000 0.956 89 R CA -0.546 55.678 56.100 0.206 0.000 0.836 89 R CB 0.461 30.833 30.300 0.120 0.000 1.151 89 R HN 0.621 nan 8.270 nan 0.000 0.450 90 I N 2.156 122.934 120.570 0.346 0.000 3.501 90 I HA 0.247 4.414 4.170 -0.006 0.000 0.297 90 I C 1.788 178.013 176.117 0.180 0.000 1.199 90 I CA -0.556 60.893 61.300 0.248 0.000 0.987 90 I CB 1.350 39.478 38.000 0.213 0.000 1.365 90 I HN 0.850 nan 8.210 nan 0.000 0.574 91 G N 0.228 109.088 108.800 0.101 0.000 2.553 91 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.218 91 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.218 91 G C 1.243 176.119 174.900 -0.040 0.000 1.195 91 G CA 0.872 45.986 45.100 0.023 0.000 0.779 91 G HN 0.644 nan 8.290 nan 0.000 0.577 92 E N -0.377 119.754 120.200 -0.115 0.000 2.190 92 E HA 0.069 4.415 4.350 -0.006 0.000 0.191 92 E C 0.377 176.571 176.600 -0.676 0.000 0.978 92 E CA 0.503 56.609 56.400 -0.491 0.000 0.839 92 E CB 0.186 29.412 29.700 -0.791 0.000 0.787 92 E HN 0.558 nan 8.360 nan 0.000 0.473 93 H N -1.168 117.949 119.070 0.078 0.000 2.946 93 H HA 0.331 4.884 4.556 -0.006 0.000 0.365 93 H C -0.630 174.644 175.328 -0.089 0.000 1.197 93 H CA -0.844 55.135 56.048 -0.115 0.000 1.131 93 H CB 1.323 30.838 29.762 -0.411 0.000 1.849 93 H HN -0.052 nan 8.280 nan 0.000 0.555 94 L N 0.980 122.177 121.223 -0.043 0.000 2.357 94 L HA 0.408 4.744 4.340 -0.006 0.000 0.273 94 L C -1.180 175.591 176.870 -0.164 0.000 1.080 94 L CA -0.221 54.627 54.840 0.013 0.000 0.803 94 L CB 0.367 42.440 42.059 0.023 0.000 1.174 94 L HN 0.347 nan 8.230 nan 0.000 0.443 95 F N 1.168 121.186 119.950 0.113 0.000 2.588 95 F HA 0.340 4.863 4.527 -0.006 0.000 0.314 95 F C -0.485 175.350 175.800 0.057 0.000 1.069 95 F CA -0.797 57.270 58.000 0.112 0.000 0.931 95 F CB 1.827 40.935 39.000 0.180 0.000 1.260 95 F HN 0.320 nan 8.300 nan 0.000 0.465 96 D N 2.291 122.846 120.400 0.257 0.000 2.443 96 D HA 0.338 4.974 4.640 -0.006 0.000 0.221 96 D C -0.909 175.399 176.300 0.012 0.000 1.097 96 D CA 0.125 54.178 54.000 0.087 0.000 0.865 96 D CB 1.679 42.504 40.800 0.042 0.000 1.034 96 D HN 0.055 nan 8.370 nan 0.000 0.511 97 V N 5.201 125.058 119.914 -0.095 0.000 2.333 97 V HA 0.290 4.406 4.120 -0.006 0.000 0.274 97 V C 0.511 176.400 176.094 -0.342 0.000 1.028 97 V CA -0.720 61.397 62.300 -0.305 0.000 0.851 97 V CB 1.149 32.733 31.823 -0.398 0.000 1.000 97 V HN 0.375 nan 8.190 nan 0.000 0.456 98 I N 2.898 123.244 120.570 -0.372 0.000 2.362 98 I HA 0.901 5.067 4.170 -0.006 0.000 0.289 98 I C 0.197 176.193 176.117 -0.201 0.000 0.994 98 I CA -0.185 60.880 61.300 -0.392 0.000 1.158 98 I CB 1.664 39.321 38.000 -0.572 0.000 1.315 98 I HN 0.586 nan 8.210 nan 0.000 0.451 99 G N 6.081 114.738 108.800 -0.238 0.000 2.489 99 G HA2 0.761 4.718 3.960 -0.006 0.000 0.327 99 G HA3 0.761 4.718 3.960 -0.006 0.000 0.327 99 G C -1.062 173.569 174.900 -0.448 0.000 1.189 99 G CA -0.405 44.595 45.100 -0.167 0.000 0.962 99 G HN 1.080 nan 8.290 nan 0.000 0.486 100 H N -1.980 116.954 119.070 -0.227 0.000 3.043 100 H HA 0.492 5.044 4.556 -0.006 0.000 0.317 100 H C -1.374 174.141 175.328 0.312 0.000 1.321 100 H CA -0.464 55.493 56.048 -0.151 0.000 1.243 100 H CB 0.851 30.529 29.762 -0.140 0.000 1.924 100 H HN 0.813 nan 8.280 nan 0.000 0.527 101 S N 1.998 117.761 115.700 0.104 0.000 2.475 101 S HA 0.624 5.090 4.470 -0.006 0.000 0.298 101 S C -1.186 173.474 174.600 0.101 0.000 1.119 101 S CA -0.626 57.422 58.200 -0.252 0.000 1.085 101 S CB 1.920 64.601 63.200 -0.864 0.000 1.028 101 S HN 0.600 nan 8.310 nan 0.000 0.489 102 Y N 2.233 122.576 120.300 0.072 0.000 2.544 102 Y HA 0.429 4.975 4.550 -0.006 0.000 0.342 102 Y C 0.315 176.322 175.900 0.178 0.000 1.062 102 Y CA -0.864 57.337 58.100 0.169 0.000 1.023 102 Y CB 0.965 39.603 38.460 0.298 0.000 1.308 102 Y HN 0.959 nan 8.280 nan 0.000 0.457 103 K N 2.065 122.133 120.400 -0.555 0.000 1.721 103 K HA -0.308 4.008 4.320 -0.006 0.000 0.121 103 K C -0.634 175.884 176.600 -0.136 0.000 1.152 103 K CA 1.970 58.036 56.287 -0.368 0.000 0.360 103 K CB -0.875 31.414 32.500 -0.352 0.000 0.626 103 K HN 0.926 nan 8.250 nan 0.000 0.878 104 E N 1.057 121.203 120.200 -0.090 0.000 3.588 104 E HA 0.429 4.775 4.350 -0.006 0.000 0.213 104 E C -1.130 175.469 176.600 -0.002 0.000 1.168 104 E CA -0.307 56.073 56.400 -0.034 0.000 1.254 104 E CB 0.946 30.633 29.700 -0.020 0.000 1.302 104 E HN 0.179 nan 8.360 nan 0.000 0.429 105 V N 1.079 120.971 119.914 -0.037 0.000 2.969 105 V HA 0.396 4.512 4.120 -0.006 0.000 0.304 105 V C -1.307 174.664 176.094 -0.204 0.000 1.192 105 V CA -0.877 61.375 62.300 -0.080 0.000 0.962 105 V CB 1.788 33.498 31.823 -0.189 0.000 1.045 105 V HN 0.269 nan 8.190 nan 0.000 0.428 106 F N 3.339 123.139 119.950 -0.249 0.000 2.426 106 F HA 0.665 5.188 4.527 -0.006 0.000 0.348 106 F C -0.344 175.307 175.800 -0.248 0.000 1.124 106 F CA -0.667 57.268 58.000 -0.107 0.000 1.008 106 F CB 1.378 40.330 39.000 -0.080 0.000 1.139 106 F HN 0.355 nan 8.300 nan 0.000 0.452 107 Y N 3.766 124.101 120.300 0.057 0.000 2.330 107 Y HA 0.589 5.136 4.550 -0.006 0.000 0.336 107 Y C -0.278 175.700 175.900 0.129 0.000 1.036 107 Y CA -0.943 57.179 58.100 0.038 0.000 1.125 107 Y CB 1.211 39.634 38.460 -0.063 0.000 1.194 107 Y HN 0.300 nan 8.280 nan 0.000 0.469 108 L N 4.490 125.845 121.223 0.220 0.000 2.316 108 L HA 0.410 4.747 4.340 -0.006 0.000 0.280 108 L C -0.765 176.096 176.870 -0.014 0.000 1.006 108 L CA -0.481 54.390 54.840 0.052 0.000 0.836 108 L CB 1.280 43.336 42.059 -0.006 0.000 1.221 108 L HN 0.687 nan 8.230 nan 0.000 0.418 109 E N 3.943 124.087 120.200 -0.092 0.000 2.151 109 E HA 0.386 4.733 4.350 -0.006 0.000 0.275 109 E C -1.362 175.127 176.600 -0.185 0.000 0.936 109 E CA -0.598 55.794 56.400 -0.014 0.000 0.777 109 E CB 1.704 31.430 29.700 0.042 0.000 1.108 109 E HN 0.242 nan 8.360 nan 0.000 0.401 110 F N 2.044 121.986 119.950 -0.013 0.000 2.308 110 F HA 0.222 4.745 4.527 -0.006 0.000 0.370 110 F C 0.573 176.466 175.800 0.156 0.000 1.100 110 F CA -0.689 57.307 58.000 -0.007 0.000 1.108 110 F CB 0.929 39.782 39.000 -0.244 0.000 1.293 110 F HN 0.400 nan 8.300 nan 0.000 0.478 111 E N 3.644 124.039 120.200 0.325 0.000 2.179 111 E HA 0.417 4.764 4.350 -0.006 0.000 0.275 111 E C -0.659 176.135 176.600 0.324 0.000 0.945 111 E CA -0.793 55.779 56.400 0.286 0.000 0.792 111 E CB 1.119 30.931 29.700 0.188 0.000 1.125 111 E HN 0.361 nan 8.360 nan 0.000 0.397 112 I N 4.410 125.079 120.570 0.166 0.000 2.436 112 I HA 0.126 4.292 4.170 -0.006 0.000 0.289 112 I C 0.671 176.729 176.117 -0.098 0.000 1.083 112 I CA 0.094 61.311 61.300 -0.139 0.000 1.372 112 I CB 0.194 38.057 38.000 -0.228 0.000 1.408 112 I HN 0.571 nan 8.210 nan 0.000 0.516 113 R N 4.853 125.278 120.500 -0.126 0.000 2.438 113 R HA 0.312 4.648 4.340 -0.006 0.000 0.287 113 R C -0.547 175.708 176.300 -0.074 0.000 1.077 113 R CA 0.162 56.233 56.100 -0.049 0.000 1.034 113 R CB 0.611 30.910 30.300 -0.002 0.000 0.993 113 R HN 0.647 nan 8.270 nan 0.000 0.459 114 T N 3.114 117.643 114.554 -0.043 0.000 3.428 114 T HA 0.581 4.928 4.350 -0.006 0.000 0.301 114 T C -1.186 173.498 174.700 -0.026 0.000 1.323 114 T CA -0.099 61.975 62.100 -0.043 0.000 1.647 114 T CB 0.967 69.803 68.868 -0.052 0.000 0.871 114 T HN 0.772 nan 8.240 nan 0.000 0.627 115 A N 1.330 124.141 122.820 -0.016 0.000 2.552 115 A HA 0.729 5.045 4.320 -0.006 0.000 0.308 115 A C -1.657 175.926 177.584 -0.002 0.000 1.114 115 A CA -0.859 51.172 52.037 -0.010 0.000 0.610 115 A CB 0.528 19.523 19.000 -0.007 0.000 1.402 115 A HN 0.449 nan 8.150 nan 0.000 0.563 116 D N -0.597 119.804 120.400 0.001 0.000 2.451 116 D HA 0.563 5.200 4.640 -0.006 0.000 0.259 116 D C 0.061 176.369 176.300 0.014 0.000 1.201 116 D CA 0.349 54.353 54.000 0.007 0.000 1.028 116 D CB 0.917 41.720 40.800 0.005 0.000 1.095 116 D HN 0.436 nan 8.370 nan 0.000 0.539 117 T N 1.267 115.831 114.554 0.018 0.000 2.851 117 T HA 0.206 4.552 4.350 -0.006 0.000 0.298 117 T C -0.146 174.570 174.700 0.026 0.000 0.977 117 T CA -0.452 61.663 62.100 0.024 0.000 1.126 117 T CB 0.384 69.265 68.868 0.023 0.000 0.916 117 T HN 0.258 nan 8.240 nan 0.000 0.529 118 L N 5.146 126.391 121.223 0.037 0.000 2.456 118 L HA 0.193 4.529 4.340 -0.006 0.000 0.277 118 L C 0.461 177.364 176.870 0.055 0.000 1.124 118 L CA 0.151 55.022 54.840 0.050 0.000 0.880 118 L CB -0.436 41.669 42.059 0.078 0.000 1.192 118 L HN 0.701 nan 8.230 nan 0.000 0.463 119 S N 5.224 120.951 115.700 0.045 0.000 2.558 119 S HA -0.006 4.460 4.470 -0.006 0.000 0.291 119 S C 1.716 176.351 174.600 0.058 0.000 1.306 119 S CA -0.372 57.851 58.200 0.038 0.000 1.056 119 S CB 0.334 63.554 63.200 0.033 0.000 0.836 119 S HN 0.661 nan 8.310 nan 0.000 0.504 120 I N 1.550 122.130 120.570 0.018 0.000 2.623 120 I HA -0.222 3.945 4.170 -0.006 0.000 0.261 120 I C 2.031 178.195 176.117 0.078 0.000 1.204 120 I CA 1.135 62.430 61.300 -0.009 0.000 1.444 120 I CB -0.562 37.408 38.000 -0.049 0.000 1.094 120 I HN 0.740 nan 8.210 nan 0.000 0.451 121 T N -1.109 113.490 114.554 0.075 0.000 2.837 121 T HA -0.058 4.288 4.350 -0.006 0.000 0.248 121 T C 2.056 176.812 174.700 0.094 0.000 1.033 121 T CA 1.139 63.286 62.100 0.078 0.000 1.150 121 T CB -0.080 68.813 68.868 0.043 0.000 0.865 121 T HN 0.199 nan 8.240 nan 0.000 0.425 122 S N 1.434 117.178 115.700 0.074 0.000 2.374 122 S HA -0.133 4.334 4.470 -0.006 0.000 0.227 122 S C 1.645 176.278 174.600 0.055 0.000 1.037 122 S CA 1.368 59.596 58.200 0.047 0.000 1.024 122 S CB -0.615 62.606 63.200 0.034 0.000 0.861 122 S HN 0.500 nan 8.310 nan 0.000 0.456 123 F N 2.444 122.364 119.950 -0.051 0.000 2.063 123 F HA -0.259 4.264 4.527 -0.006 0.000 0.298 123 F C 2.396 178.158 175.800 -0.064 0.000 1.109 123 F CA 2.060 60.017 58.000 -0.072 0.000 1.212 123 F CB -1.038 37.924 39.000 -0.064 0.000 0.973 123 F HN 0.131 nan 8.300 nan 0.000 0.480 124 T N 1.517 116.214 114.554 0.238 0.000 2.665 124 T HA -0.277 4.069 4.350 -0.006 0.000 0.268 124 T C 1.947 176.613 174.700 -0.056 0.000 1.035 124 T CA 1.831 63.989 62.100 0.096 0.000 1.151 124 T CB -0.764 68.193 68.868 0.149 0.000 0.862 124 T HN 0.389 nan 8.240 nan 0.000 0.438 125 L N 0.855 122.055 121.223 -0.038 0.000 2.201 125 L HA -0.066 4.270 4.340 -0.006 0.000 0.212 125 L C 2.129 178.939 176.870 -0.100 0.000 1.105 125 L CA 1.192 56.001 54.840 -0.052 0.000 0.775 125 L CB -0.355 41.687 42.059 -0.029 0.000 0.913 125 L HN 0.118 nan 8.230 nan 0.000 0.440 126 N N 0.116 118.717 118.700 -0.166 0.000 2.039 126 N HA -0.183 4.553 4.740 -0.006 0.000 0.193 126 N C 1.883 177.258 175.510 -0.224 0.000 1.044 126 N CA 1.815 54.734 53.050 -0.218 0.000 0.847 126 N CB -0.475 37.809 38.487 -0.337 0.000 1.030 126 N HN 0.466 nan 8.380 nan 0.000 0.422 127 A N 0.699 123.325 122.820 -0.323 0.000 1.892 127 A HA -0.221 4.095 4.320 -0.006 0.000 0.218 127 A C 2.059 179.592 177.584 -0.085 0.000 1.188 127 A CA 1.611 53.517 52.037 -0.219 0.000 0.631 127 A CB -0.712 18.131 19.000 -0.261 0.000 0.822 127 A HN 0.405 nan 8.150 nan 0.000 0.447 128 Q N -1.373 118.382 119.800 -0.075 0.000 2.172 128 Q HA -0.140 4.197 4.340 -0.006 0.000 0.200 128 Q C 2.302 178.283 176.000 -0.031 0.000 0.964 128 Q CA 1.277 57.064 55.803 -0.028 0.000 0.855 128 Q CB -0.140 28.587 28.738 -0.018 0.000 0.918 128 Q HN 0.742 nan 8.270 nan 0.000 0.444 129 R N 0.287 120.754 120.500 -0.056 0.000 2.148 129 R HA -0.104 4.232 4.340 -0.006 0.000 0.227 129 R C 1.896 178.156 176.300 -0.067 0.000 1.103 129 R CA 0.812 56.879 56.100 -0.055 0.000 0.983 129 R CB 0.089 30.351 30.300 -0.064 0.000 0.874 129 R HN 0.163 nan 8.270 nan 0.000 0.451 130 I N 0.574 121.087 120.570 -0.095 0.000 2.731 130 I HA -0.009 4.158 4.170 -0.006 0.000 0.260 130 I C 1.803 177.889 176.117 -0.053 0.000 1.138 130 I CA 0.575 61.763 61.300 -0.188 0.000 1.461 130 I CB -0.281 37.491 38.000 -0.379 0.000 1.128 130 I HN 0.195 nan 8.210 nan 0.000 0.438 131 I N 1.161 121.775 120.570 0.073 0.000 2.264 131 I HA -0.284 3.882 4.170 -0.006 0.000 0.248 131 I C 2.681 178.863 176.117 0.108 0.000 1.111 131 I CA 1.240 62.647 61.300 0.178 0.000 1.382 131 I CB -0.529 37.547 38.000 0.127 0.000 1.060 131 I HN 0.157 nan 8.210 nan 0.000 0.418 132 A N 0.447 123.296 122.820 0.049 0.000 1.927 132 A HA -0.294 4.022 4.320 -0.006 0.000 0.220 132 A C 2.253 179.868 177.584 0.051 0.000 1.185 132 A CA 1.760 53.815 52.037 0.030 0.000 0.639 132 A CB -0.527 18.476 19.000 0.004 0.000 0.820 132 A HN 0.449 nan 8.150 nan 0.000 0.451 133 Q N -0.698 119.146 119.800 0.073 0.000 2.119 133 Q HA -0.070 4.266 4.340 -0.006 0.000 0.201 133 Q C 2.250 178.395 176.000 0.242 0.000 0.972 133 Q CA 1.382 57.270 55.803 0.143 0.000 0.847 133 Q CB -0.902 27.882 28.738 0.078 0.000 0.903 133 Q HN 0.485 nan 8.270 nan 0.000 0.433 134 V N 1.465 121.507 119.914 0.214 0.000 2.626 134 V HA -0.220 3.896 4.120 -0.006 0.000 0.252 134 V C 1.758 177.955 176.094 0.171 0.000 1.067 134 V CA 1.644 64.073 62.300 0.216 0.000 1.081 134 V CB -0.240 31.700 31.823 0.194 0.000 0.686 134 V HN 0.442 nan 8.190 nan 0.000 0.468 135 Q N -1.196 118.667 119.800 0.106 0.000 2.282 135 Q HA 0.221 4.557 4.340 -0.006 0.000 0.206 135 Q C 1.916 177.898 176.000 -0.031 0.000 0.878 135 Q CA 0.058 55.885 55.803 0.040 0.000 0.944 135 Q CB 0.348 29.099 28.738 0.021 0.000 1.100 135 Q HN 0.519 nan 8.270 nan 0.000 0.509 136 L N 0.016 121.168 121.223 -0.120 0.000 2.072 136 L HA -0.077 4.259 4.340 -0.006 0.000 0.205 136 L C 0.286 176.912 176.870 -0.406 0.000 1.079 136 L CA 1.037 55.636 54.840 -0.402 0.000 0.752 136 L CB -0.225 41.338 42.059 -0.826 0.000 0.906 136 L HN 0.302 nan 8.230 nan 0.000 0.436 137 H N -1.667 117.411 119.070 0.014 0.000 2.463 137 H HA 0.211 4.763 4.556 -0.006 0.000 0.332 137 H C -0.041 175.291 175.328 0.006 0.000 1.127 137 H CA -0.501 55.555 56.048 0.013 0.000 1.238 137 H CB 0.637 30.413 29.762 0.022 0.000 1.478 137 H HN -0.144 nan 8.280 nan 0.000 0.499 138 N N 0.262 119.026 118.700 0.107 0.000 2.280 138 N HA -0.011 4.725 4.740 -0.006 0.000 0.192 138 N C -0.692 174.852 175.510 0.058 0.000 1.109 138 N CA 0.034 53.120 53.050 0.060 0.000 0.855 138 N CB 0.551 39.056 38.487 0.030 0.000 0.974 138 N HN 0.595 nan 8.380 nan 0.000 0.482 139 D N -1.586 118.864 120.400 0.084 0.000 2.217 139 D HA 0.146 4.783 4.640 -0.006 0.000 0.243 139 D C 1.069 177.397 176.300 0.046 0.000 1.054 139 D CA -0.195 53.840 54.000 0.058 0.000 0.838 139 D CB 1.351 42.184 40.800 0.057 0.000 1.162 139 D HN -0.171 nan 8.370 nan 0.000 0.472 140 T N 2.036 116.611 114.554 0.035 0.000 2.849 140 T HA -0.136 4.211 4.350 -0.006 0.000 0.270 140 T C 1.483 176.213 174.700 0.051 0.000 1.066 140 T CA 1.918 64.038 62.100 0.033 0.000 1.130 140 T CB -0.115 68.790 68.868 0.062 0.000 0.864 140 T HN 0.505 nan 8.240 nan 0.000 0.481 141 A N -0.193 122.651 122.820 0.040 0.000 1.997 141 A HA 0.209 4.525 4.320 -0.006 0.000 0.212 141 A C 2.553 180.123 177.584 -0.024 0.000 1.178 141 A CA 1.183 53.235 52.037 0.025 0.000 0.698 141 A CB -0.320 18.695 19.000 0.025 0.000 0.842 141 A HN 0.514 nan 8.150 nan 0.000 0.458 142 S N 0.615 116.288 115.700 -0.045 0.000 2.353 142 S HA -0.159 4.307 4.470 -0.006 0.000 0.222 142 S C 1.896 176.272 174.600 -0.374 0.000 1.035 142 S CA 1.264 59.380 58.200 -0.140 0.000 1.025 142 S CB -0.621 62.558 63.200 -0.036 0.000 0.902 142 S HN 0.496 nan 8.310 nan 0.000 0.440 143 L N 2.056 123.097 121.223 -0.305 0.000 1.951 143 L HA -0.193 4.144 4.340 -0.006 0.000 0.222 143 L C 2.232 179.052 176.870 -0.083 0.000 1.078 143 L CA 2.023 56.714 54.840 -0.247 0.000 0.778 143 L CB -1.027 41.021 42.059 -0.018 0.000 0.893 143 L HN 0.363 nan 8.230 nan 0.000 0.436 144 L N -0.496 120.747 121.223 0.034 0.000 1.990 144 L HA -0.275 4.061 4.340 -0.006 0.000 0.213 144 L C 2.869 179.801 176.870 0.104 0.000 1.072 144 L CA 1.736 56.663 54.840 0.145 0.000 0.755 144 L CB -0.973 41.136 42.059 0.083 0.000 0.889 144 L HN 0.411 nan 8.230 nan 0.000 0.432 145 S N -0.036 115.666 115.700 0.005 0.000 2.365 145 S HA -0.252 4.215 4.470 -0.006 0.000 0.225 145 S C 1.742 176.327 174.600 -0.024 0.000 1.039 145 S CA 2.045 60.239 58.200 -0.011 0.000 1.033 145 S CB -0.352 62.827 63.200 -0.036 0.000 0.887 145 S HN 0.456 nan 8.310 nan 0.000 0.447 146 N N 0.043 118.686 118.700 -0.095 0.000 2.062 146 N HA -0.103 4.633 4.740 -0.006 0.000 0.191 146 N C 1.961 177.451 175.510 -0.033 0.000 1.042 146 N CA 1.587 54.594 53.050 -0.071 0.000 0.845 146 N CB -0.371 38.032 38.487 -0.140 0.000 1.024 146 N HN 0.423 nan 8.380 nan 0.000 0.424 147 V N 1.187 121.091 119.914 -0.017 0.000 2.392 147 V HA -0.201 3.915 4.120 -0.006 0.000 0.249 147 V C 1.975 177.967 176.094 -0.169 0.000 1.059 147 V CA 2.059 64.304 62.300 -0.092 0.000 1.051 147 V CB -0.981 30.820 31.823 -0.037 0.000 0.658 147 V HN 0.266 nan 8.190 nan 0.000 0.455 148 T N 0.479 115.034 114.554 0.001 0.000 2.699 148 T HA -0.202 4.145 4.350 -0.006 0.000 0.268 148 T C 1.539 176.200 174.700 -0.065 0.000 1.036 148 T CA 2.125 64.236 62.100 0.018 0.000 1.147 148 T CB -0.519 68.429 68.868 0.135 0.000 0.862 148 T HN 0.677 nan 8.240 nan 0.000 0.446 149 D N 0.612 120.982 120.400 -0.050 0.000 2.077 149 D HA -0.070 4.566 4.640 -0.006 0.000 0.193 149 D C 2.213 178.464 176.300 -0.083 0.000 0.989 149 D CA 1.088 55.058 54.000 -0.051 0.000 0.831 149 D CB -0.588 40.195 40.800 -0.029 0.000 0.979 149 D HN 0.304 nan 8.370 nan 0.000 0.449 150 E N 0.494 120.634 120.200 -0.100 0.000 2.219 150 E HA -0.138 4.208 4.350 -0.006 0.000 0.198 150 E C 2.148 178.643 176.600 -0.175 0.000 0.998 150 E CA 0.578 56.906 56.400 -0.119 0.000 0.818 150 E CB -0.373 29.255 29.700 -0.120 0.000 0.741 150 E HN 0.268 nan 8.360 nan 0.000 0.477 151 L N -0.539 120.527 121.223 -0.261 0.000 2.056 151 L HA -0.126 4.210 4.340 -0.006 0.000 0.207 151 L C 2.747 179.516 176.870 -0.168 0.000 1.078 151 L CA 1.458 56.098 54.840 -0.335 0.000 0.749 151 L CB -0.327 41.428 42.059 -0.507 0.000 0.901 151 L HN 0.126 nan 8.230 nan 0.000 0.433 152 R N -0.017 120.418 120.500 -0.108 0.000 2.070 152 R HA -0.102 4.235 4.340 -0.006 0.000 0.233 152 R C 1.287 177.585 176.300 -0.004 0.000 1.137 152 R CA 0.849 56.936 56.100 -0.021 0.000 0.945 152 R CB 0.002 30.295 30.300 -0.012 0.000 0.845 152 R HN 0.196 nan 8.270 nan 0.000 0.430 156 G N 0.904 109.754 108.800 0.084 0.000 2.205 156 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.261 156 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.261 156 G C 0.095 175.095 174.900 0.168 0.000 0.980 156 G CA 0.138 45.284 45.100 0.078 0.000 0.632 156 G HN 0.863 nan 8.290 nan 0.000 0.533 157 Y N 2.216 122.595 120.300 0.132 0.000 2.996 157 Y HA 0.087 4.633 4.550 -0.006 0.000 0.347 157 Y C 1.905 177.887 175.900 0.137 0.000 1.276 157 Y CA 1.156 59.410 58.100 0.256 0.000 1.601 157 Y CB 0.572 39.097 38.460 0.108 0.000 1.193 157 Y HN 0.422 nan 8.280 nan 0.000 0.582 158 D N 1.712 122.213 120.400 0.168 0.000 2.349 158 D HA 0.018 4.654 4.640 -0.006 0.000 0.224 158 D C 0.297 176.607 176.300 0.017 0.000 1.029 158 D CA 0.230 54.212 54.000 -0.029 0.000 0.879 158 D CB 0.217 40.870 40.800 -0.245 0.000 0.906 158 D HN 0.369 nan 8.370 nan 0.000 0.528 159 R N 0.065 120.617 120.500 0.086 0.000 2.522 159 R HA 0.520 4.856 4.340 -0.006 0.000 0.283 159 R C -1.969 174.290 176.300 -0.069 0.000 1.074 159 R CA -0.743 55.359 56.100 0.004 0.000 0.925 159 R CB 2.183 32.470 30.300 -0.021 0.000 1.205 159 R HN 0.014 nan 8.270 nan 0.000 0.436 163 Y N 1.501 121.545 120.300 -0.427 0.000 2.329 163 Y HA 0.572 5.118 4.550 -0.007 0.000 0.328 163 Y C 0.254 175.767 175.900 -0.644 0.000 0.992 163 Y CA -0.877 56.911 58.100 -0.520 0.000 1.151 163 Y CB 1.532 39.651 38.460 -0.570 0.000 1.150 163 Y HN 0.796 nan 8.280 nan 0.000 0.450 164 R N 3.764 123.831 120.500 -0.722 0.000 2.536 164 R HA 0.516 4.852 4.340 -0.006 0.000 0.279 164 R C -1.512 174.176 176.300 -1.020 0.000 1.001 164 R CA -0.659 54.918 56.100 -0.872 0.000 1.027 164 R CB 1.159 31.037 30.300 -0.704 0.000 1.096 164 R HN 0.525 nan 8.270 nan 0.000 0.502 165 F N 2.616 122.154 119.950 -0.687 0.000 2.434 165 F HA 0.360 4.883 4.527 -0.006 0.000 0.355 165 F C 0.570 176.155 175.800 -0.358 0.000 1.115 165 F CA -0.936 56.777 58.000 -0.479 0.000 1.010 165 F CB 0.991 39.767 39.000 -0.373 0.000 1.234 165 F HN 0.167 nan 8.300 nan 0.000 0.439 166 R N 0.801 121.246 120.500 -0.093 0.000 2.905 166 R HA -0.068 4.268 4.340 -0.006 0.000 0.273 166 R C 1.385 177.710 176.300 0.043 0.000 1.033 166 R CA 0.042 56.129 56.100 -0.021 0.000 1.182 166 R CB -0.034 30.280 30.300 0.023 0.000 1.097 166 R HN 0.770 nan 8.270 nan 0.000 0.504 167 H N 0.820 119.882 119.070 -0.014 0.000 2.489 167 H HA -0.108 4.444 4.556 -0.006 0.000 0.293 167 H C 0.669 176.001 175.328 0.007 0.000 1.066 167 H CA 1.995 58.041 56.048 -0.003 0.000 1.305 167 H CB 0.175 29.938 29.762 0.002 0.000 1.386 167 H HN 0.563 nan 8.280 nan 0.000 0.551 168 D N -0.376 120.087 120.400 0.105 0.000 2.323 168 D HA -0.074 4.563 4.640 -0.006 0.000 0.239 168 D C 0.008 176.326 176.300 0.030 0.000 1.129 168 D CA 0.473 54.511 54.000 0.064 0.000 0.865 168 D CB -0.440 40.412 40.800 0.086 0.000 0.913 168 D HN 0.395 nan 8.370 nan 0.000 0.517 169 D N 0.071 120.470 120.400 -0.001 0.000 3.018 169 D HA -0.206 4.430 4.640 -0.006 0.000 0.224 169 D C 0.205 176.605 176.300 0.167 0.000 1.185 169 D CA 1.226 55.245 54.000 0.031 0.000 0.858 169 D CB -1.455 39.309 40.800 -0.061 0.000 1.112 169 D HN 0.555 nan 8.370 nan 0.000 0.415 170 S N -0.713 115.079 115.700 0.153 0.000 2.634 170 S HA 0.550 5.016 4.470 -0.006 0.000 0.261 170 S C 0.555 175.145 174.600 -0.016 0.000 1.271 170 S CA 0.257 58.557 58.200 0.165 0.000 0.985 170 S CB 2.309 65.675 63.200 0.277 0.000 0.968 170 S HN 0.303 nan 8.310 nan 0.000 0.568 171 G N -0.270 108.399 108.800 -0.217 0.000 2.662 171 G HA2 0.547 4.503 3.960 -0.006 0.000 0.302 171 G HA3 0.547 4.503 3.960 -0.006 0.000 0.302 171 G C -1.580 172.826 174.900 -0.824 0.000 1.389 171 G CA -0.698 43.880 45.100 -0.870 0.000 0.998 171 G HN 0.882 nan 8.290 nan 0.000 0.502 172 E N 1.374 120.931 120.200 -1.073 0.000 2.275 172 E HA 0.448 4.795 4.350 -0.006 0.000 0.270 172 E C -1.180 175.361 176.600 -0.099 0.000 0.882 172 E CA -0.747 55.408 56.400 -0.409 0.000 0.758 172 E CB 2.486 31.981 29.700 -0.342 0.000 1.195 172 E HN 0.231 nan 8.360 nan 0.000 0.419 173 V N 5.768 125.808 119.914 0.211 0.000 2.338 173 V HA 0.046 4.162 4.120 -0.006 0.000 0.255 173 V C 1.012 177.110 176.094 0.007 0.000 1.082 173 V CA 0.036 62.433 62.300 0.162 0.000 0.951 173 V CB 0.492 32.357 31.823 0.070 0.000 1.102 173 V HN 0.652 nan 8.190 nan 0.000 0.489 174 V N 2.117 122.010 119.914 -0.035 0.000 3.596 174 V HA 0.793 4.909 4.120 -0.006 0.000 0.289 174 V C 0.548 176.619 176.094 -0.037 0.000 1.336 174 V CA 0.662 62.928 62.300 -0.058 0.000 1.137 174 V CB -0.038 31.730 31.823 -0.091 0.000 0.966 174 V HN 0.828 nan 8.190 nan 0.000 0.428 175 A N -0.103 122.698 122.820 -0.033 0.000 2.594 175 A HA 0.775 5.091 4.320 -0.006 0.000 0.296 175 A C -0.962 176.610 177.584 -0.019 0.000 1.056 175 A CA -0.301 51.726 52.037 -0.016 0.000 0.693 175 A CB 1.606 20.608 19.000 0.004 0.000 1.278 175 A HN 0.463 nan 8.150 nan 0.000 0.408 176 E N 0.199 120.394 120.200 -0.009 0.000 2.375 176 E HA 0.634 4.981 4.350 -0.006 0.000 0.280 176 E C -1.725 174.871 176.600 -0.008 0.000 0.972 176 E CA -0.259 56.132 56.400 -0.016 0.000 0.782 176 E CB 2.000 31.701 29.700 0.001 0.000 1.229 176 E HN 1.023 nan 8.360 nan 0.000 0.439 177 S N 2.916 118.606 115.700 -0.017 0.000 2.668 177 S HA 0.585 5.051 4.470 -0.006 0.000 0.277 177 S C -1.161 173.434 174.600 -0.008 0.000 1.170 177 S CA -0.703 57.491 58.200 -0.010 0.000 0.994 177 S CB 0.761 63.952 63.200 -0.015 0.000 1.051 177 S HN 0.618 nan 8.310 nan 0.000 0.484 178 R N 2.725 123.228 120.500 0.005 0.000 2.885 178 R HA 0.585 4.921 4.340 -0.006 0.000 0.260 178 R C -0.901 175.404 176.300 0.008 0.000 1.107 178 R CA -1.233 54.874 56.100 0.012 0.000 0.978 178 R CB 0.968 31.289 30.300 0.036 0.000 1.227 178 R HN 0.601 nan 8.270 nan 0.000 0.473 179 R N 0.862 121.364 120.500 0.004 0.000 2.234 179 R HA 0.127 4.464 4.340 -0.006 0.000 0.324 179 R C -0.017 176.285 176.300 0.004 0.000 1.054 179 R CA -0.021 56.077 56.100 -0.004 0.000 0.912 179 R CB 0.950 31.236 30.300 -0.024 0.000 1.030 179 R HN 0.807 nan 8.270 nan 0.000 0.455 180 E N 2.563 122.765 120.200 0.003 0.000 2.136 180 E HA -0.289 4.057 4.350 -0.006 0.000 0.202 180 E C 0.712 177.314 176.600 0.004 0.000 1.019 180 E CA 2.094 58.497 56.400 0.004 0.000 0.819 180 E CB 0.000 29.700 29.700 -0.000 0.000 0.739 180 E HN 0.733 nan 8.360 nan 0.000 0.458 181 D N 0.564 120.965 120.400 0.002 0.000 2.280 181 D HA -0.148 4.488 4.640 -0.006 0.000 0.206 181 D C 0.629 176.935 176.300 0.010 0.000 0.988 181 D CA 1.038 55.039 54.000 0.002 0.000 0.886 181 D CB -0.334 40.465 40.800 -0.002 0.000 0.914 181 D HN 0.235 nan 8.370 nan 0.000 0.473 182 L N 1.008 122.244 121.223 0.022 0.000 2.360 182 L HA 0.302 4.638 4.340 -0.006 0.000 0.271 182 L C 0.668 177.561 176.870 0.039 0.000 1.057 182 L CA -1.147 53.722 54.840 0.047 0.000 0.803 182 L CB 0.782 42.889 42.059 0.081 0.000 1.207 182 L HN -0.087 nan 8.230 nan 0.000 0.445 183 E N 0.664 120.876 120.200 0.021 0.000 2.413 183 E HA 0.133 4.480 4.350 -0.006 0.000 0.263 183 E C -0.381 176.145 176.600 -0.123 0.000 1.015 183 E CA -0.429 55.920 56.400 -0.085 0.000 0.916 183 E CB 0.953 30.550 29.700 -0.173 0.000 0.947 183 E HN 0.489 nan 8.360 nan 0.000 0.440 184 S N 1.815 117.428 115.700 -0.144 0.000 2.592 184 S HA 0.131 4.598 4.470 -0.006 0.000 0.271 184 S C -0.455 174.003 174.600 -0.237 0.000 1.326 184 S CA -0.364 57.790 58.200 -0.076 0.000 1.024 184 S CB 0.254 63.425 63.200 -0.049 0.000 0.921 184 S HN 0.590 nan 8.310 nan 0.000 0.527 185 Y N 1.804 122.078 120.300 -0.042 0.000 2.471 185 Y HA 0.388 4.935 4.550 -0.006 0.000 0.249 185 Y C 0.580 176.441 175.900 -0.065 0.000 1.116 185 Y CA -0.470 57.601 58.100 -0.048 0.000 1.240 185 Y CB 0.363 38.790 38.460 -0.055 0.000 1.251 185 Y HN 0.477 nan 8.280 nan 0.000 0.527 186 L N 0.443 121.697 121.223 0.051 0.000 2.593 186 L HA 0.063 4.399 4.340 -0.006 0.000 0.287 186 L C 1.415 178.258 176.870 -0.045 0.000 1.243 186 L CA 1.720 56.560 54.840 -0.000 0.000 0.890 186 L CB 0.381 42.430 42.059 -0.017 0.000 1.134 186 L HN 0.624 nan 8.230 nan 0.000 0.502 187 G N 3.232 111.995 108.800 -0.062 0.000 2.225 187 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.254 187 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.254 187 G C 0.232 175.013 174.900 -0.198 0.000 0.988 187 G CA 0.176 45.206 45.100 -0.117 0.000 0.625 187 G HN 0.553 nan 8.290 nan 0.000 0.527 188 L N 1.151 122.276 121.223 -0.165 0.000 2.490 188 L HA 0.461 4.797 4.340 -0.006 0.000 0.274 188 L C 0.556 177.230 176.870 -0.326 0.000 1.201 188 L CA -0.040 54.632 54.840 -0.281 0.000 0.869 188 L CB 0.287 42.350 42.059 0.006 0.000 1.123 188 L HN 0.286 nan 8.230 nan 0.000 0.484 189 R N 4.578 124.624 120.500 -0.756 0.000 2.561 189 R HA 0.453 4.790 4.340 -0.006 0.000 0.297 189 R C -1.596 174.205 176.300 -0.832 0.000 0.969 189 R CA -0.609 54.968 56.100 -0.871 0.000 0.879 189 R CB 1.826 31.105 30.300 -1.701 0.000 1.178 189 R HN 0.478 nan 8.270 nan 0.000 0.445 190 Y N 1.619 121.689 120.300 -0.382 0.000 2.621 190 Y HA 0.481 5.028 4.550 -0.004 0.000 0.334 190 Y C -2.025 173.888 175.900 0.021 0.000 1.074 190 Y CA -2.725 55.331 58.100 -0.073 0.000 1.149 190 Y CB 1.584 40.135 38.460 0.151 0.000 1.302 190 Y HN 0.402 nan 8.280 nan 0.000 0.501 191 P HA 0.188 nan 4.420 nan 0.000 0.278 191 P C -0.164 177.312 177.300 0.294 0.000 1.266 191 P CA -0.144 63.206 63.100 0.416 0.000 0.807 191 P CB 0.959 32.870 31.700 0.352 0.000 1.094 192 A N 0.958 123.915 122.820 0.229 0.000 1.940 192 A HA -0.187 4.130 4.320 -0.006 0.000 0.219 192 A C 2.028 179.707 177.584 0.158 0.000 1.176 192 A CA 2.412 54.551 52.037 0.170 0.000 0.631 192 A CB -1.990 17.071 19.000 0.103 0.000 0.814 192 A HN 0.622 nan 8.150 nan 0.000 0.446 193 S N -0.427 115.372 115.700 0.164 0.000 2.537 193 S HA -0.128 4.338 4.470 -0.006 0.000 0.240 193 S C 0.935 175.641 174.600 0.178 0.000 0.981 193 S CA 1.364 59.652 58.200 0.147 0.000 0.948 193 S CB -0.403 62.881 63.200 0.139 0.000 0.759 193 S HN 0.474 nan 8.310 nan 0.000 0.531 194 D N 1.152 121.687 120.400 0.224 0.000 2.355 194 D HA 0.265 4.902 4.640 -0.006 0.000 0.218 194 D C 0.117 176.519 176.300 0.169 0.000 1.004 194 D CA 0.479 54.619 54.000 0.234 0.000 0.880 194 D CB 0.125 41.102 40.800 0.296 0.000 0.911 194 D HN 0.511 nan 8.370 nan 0.000 0.528 195 I N 0.988 121.654 120.570 0.160 0.000 2.560 195 I HA 0.227 4.393 4.170 -0.006 0.000 0.278 195 I C -2.578 173.567 176.117 0.047 0.000 1.089 195 I CA -1.930 59.446 61.300 0.126 0.000 1.086 195 I CB 2.120 40.242 38.000 0.204 0.000 1.202 195 I HN -0.394 nan 8.210 nan 0.000 0.471 196 P HA 0.013 nan 4.420 nan 0.000 0.266 196 P C 0.958 178.206 177.300 -0.086 0.000 1.193 196 P CA 0.154 63.243 63.100 -0.019 0.000 0.770 196 P CB 0.973 32.667 31.700 -0.010 0.000 0.836 197 A N 2.537 125.311 122.820 -0.077 0.000 2.084 197 A HA -0.270 4.047 4.320 -0.006 0.000 0.221 197 A C 2.084 179.575 177.584 -0.154 0.000 1.161 197 A CA 1.817 53.787 52.037 -0.111 0.000 0.653 197 A CB -0.948 18.005 19.000 -0.078 0.000 0.802 197 A HN 0.597 nan 8.150 nan 0.000 0.457 198 Q N -1.438 118.277 119.800 -0.142 0.000 2.302 198 Q HA 0.270 4.606 4.340 -0.006 0.000 0.202 198 Q C 2.139 177.969 176.000 -0.284 0.000 0.936 198 Q CA 1.027 56.734 55.803 -0.160 0.000 0.886 198 Q CB -0.222 28.488 28.738 -0.047 0.000 0.986 198 Q HN 0.619 nan 8.270 nan 0.000 0.487 199 A N 0.374 122.977 122.820 -0.362 0.000 1.872 199 A HA -0.130 4.186 4.320 -0.006 0.000 0.214 199 A C 1.996 178.864 177.584 -1.194 0.000 1.187 199 A CA 1.235 52.814 52.037 -0.764 0.000 0.614 199 A CB -0.435 18.255 19.000 -0.516 0.000 0.826 199 A HN 0.254 nan 8.150 nan 0.000 0.442 200 R N -0.781 119.352 120.500 -0.612 0.000 2.083 200 R HA -0.200 4.137 4.340 -0.006 0.000 0.237 200 R C 2.437 178.541 176.300 -0.327 0.000 1.137 200 R CA 1.857 57.725 56.100 -0.388 0.000 0.951 200 R CB -0.244 29.902 30.300 -0.256 0.000 0.851 200 R HN 0.384 nan 8.270 nan 0.000 0.434 201 R N 0.922 121.247 120.500 -0.291 0.000 2.096 201 R HA -0.137 4.199 4.340 -0.006 0.000 0.240 201 R C 2.169 178.317 176.300 -0.253 0.000 1.139 201 R CA 1.675 57.638 56.100 -0.228 0.000 0.952 201 R CB -0.931 29.244 30.300 -0.208 0.000 0.854 201 R HN 0.312 nan 8.270 nan 0.000 0.436 202 L N -0.826 120.179 121.223 -0.364 0.000 1.994 202 L HA -0.222 4.115 4.340 -0.006 0.000 0.208 202 L C 2.195 178.970 176.870 -0.158 0.000 1.071 202 L CA 1.463 56.105 54.840 -0.331 0.000 0.745 202 L CB -0.565 41.267 42.059 -0.378 0.000 0.892 202 L HN 0.254 nan 8.230 nan 0.000 0.431 203 Y N -0.375 119.849 120.300 -0.127 0.000 2.298 203 Y HA -0.248 4.298 4.550 -0.007 0.000 0.287 203 Y C 2.375 178.227 175.900 -0.080 0.000 1.164 203 Y CA 0.719 58.762 58.100 -0.095 0.000 1.229 203 Y CB -0.934 37.475 38.460 -0.085 0.000 0.977 203 Y HN 0.210 nan 8.280 nan 0.000 0.538 204 I N -0.638 119.950 120.570 0.031 0.000 2.286 204 I HA -0.270 3.896 4.170 -0.006 0.000 0.245 204 I C 2.285 178.403 176.117 0.001 0.000 1.104 204 I CA 1.149 62.449 61.300 -0.000 0.000 1.397 204 I CB -0.310 37.662 38.000 -0.045 0.000 1.072 204 I HN 0.231 nan 8.210 nan 0.000 0.417 205 Q N 0.314 120.090 119.800 -0.039 0.000 2.020 205 Q HA -0.020 4.316 4.340 -0.006 0.000 0.198 205 Q C 0.485 176.508 176.000 0.039 0.000 0.974 205 Q CA 0.752 56.547 55.803 -0.014 0.000 0.829 205 Q CB 0.088 28.703 28.738 -0.204 0.000 0.894 205 Q HN 0.420 nan 8.270 nan 0.000 0.433 206 N N 1.005 119.687 118.700 -0.029 0.000 2.426 206 N HA 0.101 4.838 4.740 -0.006 0.000 0.257 206 N C -2.112 173.426 175.510 0.046 0.000 1.002 206 N CA -1.231 51.829 53.050 0.016 0.000 0.942 206 N CB 1.547 40.015 38.487 -0.031 0.000 1.112 206 N HN -0.037 nan 8.380 nan 0.000 0.499 207 P HA -0.075 nan 4.420 nan 0.000 0.215 207 P C 0.133 177.458 177.300 0.043 0.000 1.157 207 P CA 1.398 64.526 63.100 0.047 0.000 0.874 207 P CB 0.504 32.232 31.700 0.047 0.000 0.790 208 I N -0.822 119.771 120.570 0.038 0.000 2.465 208 I HA 0.320 4.486 4.170 -0.006 0.000 0.291 208 I C -0.141 175.984 176.117 0.014 0.000 1.014 208 I CA -1.092 60.227 61.300 0.031 0.000 1.093 208 I CB 1.927 39.967 38.000 0.066 0.000 1.267 208 I HN -0.270 nan 8.210 nan 0.000 0.431 209 R N 6.585 127.072 120.500 -0.022 0.000 2.599 209 R HA 0.657 4.993 4.340 -0.006 0.000 0.295 209 R C -1.166 175.130 176.300 -0.006 0.000 0.963 209 R CA -0.900 55.190 56.100 -0.017 0.000 0.883 209 R CB 1.776 32.044 30.300 -0.053 0.000 1.171 209 R HN 0.604 nan 8.270 nan 0.000 0.450 210 L N 3.619 124.858 121.223 0.027 0.000 2.349 210 L HA 0.579 4.916 4.340 -0.006 0.000 0.278 210 L C -0.918 175.971 176.870 0.031 0.000 0.996 210 L CA -0.688 54.178 54.840 0.043 0.000 0.825 210 L CB 1.267 43.363 42.059 0.062 0.000 1.243 210 L HN 0.582 nan 8.230 nan 0.000 0.412 211 I N 4.890 125.480 120.570 0.033 0.000 2.328 211 I HA 0.288 4.455 4.170 -0.006 0.000 0.287 211 I C 0.971 177.079 176.117 -0.015 0.000 1.012 211 I CA -0.219 61.093 61.300 0.020 0.000 1.195 211 I CB 1.869 39.909 38.000 0.068 0.000 1.350 211 I HN 0.780 nan 8.210 nan 0.000 0.464 212 A N 4.688 127.434 122.820 -0.123 0.000 1.854 212 A HA -0.078 4.239 4.320 -0.006 0.000 0.214 212 A C 0.756 178.291 177.584 -0.081 0.000 1.192 212 A CA 1.422 53.318 52.037 -0.235 0.000 0.611 212 A CB 0.000 18.622 19.000 -0.631 0.000 0.832 212 A HN 0.706 nan 8.150 nan 0.000 0.442 213 D N -2.102 118.303 120.400 0.008 0.000 2.964 213 D HA 0.400 5.037 4.640 -0.006 0.000 0.234 213 D C 0.619 177.055 176.300 0.226 0.000 1.223 213 D CA -0.394 53.665 54.000 0.098 0.000 0.889 213 D CB 1.985 42.853 40.800 0.114 0.000 1.609 213 D HN -0.108 nan 8.370 nan 0.000 0.523 214 V N 2.926 122.952 119.914 0.187 0.000 2.283 214 V HA -0.066 4.050 4.120 -0.006 0.000 0.243 214 V C 2.226 178.447 176.094 0.211 0.000 1.039 214 V CA 2.065 64.499 62.300 0.224 0.000 1.016 214 V CB -0.584 31.305 31.823 0.110 0.000 0.650 214 V HN 0.732 nan 8.190 nan 0.000 0.449 215 A N 0.022 122.911 122.820 0.116 0.000 2.261 215 A HA 0.062 4.379 4.320 -0.006 0.000 0.208 215 A C 0.878 178.467 177.584 0.009 0.000 1.223 215 A CA -0.267 51.785 52.037 0.026 0.000 0.833 215 A CB -1.254 17.760 19.000 0.023 0.000 0.830 215 A HN 0.715 nan 8.150 nan 0.000 0.483 216 Y N -1.197 119.132 120.300 0.047 0.000 2.993 216 Y HA 0.234 4.781 4.550 -0.006 0.000 0.340 216 Y C 0.384 176.311 175.900 0.046 0.000 1.273 216 Y CA 0.494 58.626 58.100 0.053 0.000 1.545 216 Y CB -0.108 38.397 38.460 0.075 0.000 1.275 216 Y HN -0.007 nan 8.280 nan 0.000 0.617 217 T N 7.587 122.136 114.554 -0.007 0.000 2.753 217 T HA 0.391 4.737 4.350 -0.006 0.000 0.297 217 T C -2.107 172.635 174.700 0.070 0.000 0.981 217 T CA -1.767 60.274 62.100 -0.098 0.000 0.956 217 T CB -0.026 68.825 68.868 -0.028 0.000 0.936 217 T HN 0.654 nan 8.240 nan 0.000 0.463 221 V N -0.330 119.267 119.914 -0.528 0.000 2.435 221 V HA 0.784 4.900 4.120 -0.006 0.000 0.290 221 V C -1.038 174.713 176.094 -0.573 0.000 1.030 221 V CA -0.412 61.607 62.300 -0.468 0.000 0.881 221 V CB 0.949 32.582 31.823 -0.317 0.000 0.983 221 V HN 0.530 nan 8.190 nan 0.000 0.445 222 F N 4.517 124.419 119.950 -0.080 0.000 2.508 222 F HA 0.777 5.301 4.527 -0.006 0.000 0.325 222 F C -2.247 173.513 175.800 -0.067 0.000 1.090 222 F CA -2.724 55.249 58.000 -0.046 0.000 0.945 222 F CB 1.862 40.847 39.000 -0.025 0.000 1.156 222 F HN 0.366 nan 8.300 nan 0.000 0.463 223 P HA 0.136 nan 4.420 nan 0.000 0.269 223 P C 0.057 177.505 177.300 0.247 0.000 1.215 223 P CA -0.009 63.252 63.100 0.269 0.000 0.780 223 P CB 0.855 32.687 31.700 0.220 0.000 0.898 224 A N 2.757 125.737 122.820 0.266 0.000 2.121 224 A HA -0.023 4.294 4.320 -0.006 0.000 0.218 224 A C 0.750 178.520 177.584 0.309 0.000 1.154 224 A CA 1.087 53.242 52.037 0.196 0.000 0.679 224 A CB -0.827 18.270 19.000 0.163 0.000 0.795 224 A HN 0.541 nan 8.150 nan 0.000 0.458 225 L N -0.658 120.761 121.223 0.327 0.000 2.410 225 L HA 0.445 4.781 4.340 -0.006 0.000 0.270 225 L C -0.828 176.162 176.870 0.200 0.000 0.983 225 L CA -0.931 54.047 54.840 0.230 0.000 0.822 225 L CB 1.772 43.894 42.059 0.105 0.000 1.285 225 L HN 0.123 nan 8.230 nan 0.000 0.409 226 N N 5.664 124.221 118.700 -0.239 0.000 2.402 226 N HA 0.253 4.989 4.740 -0.006 0.000 0.252 226 N C -2.062 173.349 175.510 -0.165 0.000 1.118 226 N CA -2.051 50.742 53.050 -0.428 0.000 0.945 226 N CB 1.320 39.078 38.487 -1.216 0.000 1.147 226 N HN 0.354 nan 8.380 nan 0.000 0.495 227 P HA -0.135 nan 4.420 nan 0.000 0.216 227 P C 0.858 178.133 177.300 -0.043 0.000 1.153 227 P CA 1.075 64.165 63.100 -0.016 0.000 0.858 227 P CB 0.367 32.077 31.700 0.017 0.000 0.789 228 E N -1.370 118.796 120.200 -0.055 0.000 2.171 228 E HA -0.166 4.180 4.350 -0.006 0.000 0.197 228 E C 1.797 178.356 176.600 -0.070 0.000 0.997 228 E CA 1.536 57.902 56.400 -0.056 0.000 0.810 228 E CB -0.886 28.779 29.700 -0.059 0.000 0.738 228 E HN 0.248 nan 8.360 nan 0.000 0.467 229 T N -1.639 112.852 114.554 -0.105 0.000 2.969 229 T HA 0.045 4.391 4.350 -0.006 0.000 0.258 229 T C 0.478 175.123 174.700 -0.091 0.000 0.962 229 T CA 0.564 62.601 62.100 -0.106 0.000 0.903 229 T CB 0.055 68.832 68.868 -0.152 0.000 1.177 229 T HN 0.081 nan 8.240 nan 0.000 0.511 230 N N 1.063 119.708 118.700 -0.091 0.000 2.863 230 N HA -0.143 4.594 4.740 -0.006 0.000 0.245 230 N C -0.482 174.990 175.510 -0.064 0.000 1.001 230 N CA 1.423 54.437 53.050 -0.059 0.000 0.901 230 N CB -0.825 37.641 38.487 -0.035 0.000 1.124 230 N HN 0.663 nan 8.380 nan 0.000 0.582 231 E N -0.606 119.528 120.200 -0.109 0.000 2.232 231 E HA 0.497 4.843 4.350 -0.006 0.000 0.264 231 E C -0.252 176.261 176.600 -0.144 0.000 0.973 231 E CA -0.736 55.608 56.400 -0.093 0.000 0.849 231 E CB 1.422 31.072 29.700 -0.084 0.000 1.198 231 E HN 0.152 nan 8.360 nan 0.000 0.407 232 S N 0.202 115.866 115.700 -0.060 0.000 2.617 232 S HA 0.222 4.688 4.470 -0.006 0.000 0.259 232 S C -0.646 173.930 174.600 -0.039 0.000 1.301 232 S CA -0.471 57.732 58.200 0.006 0.000 0.984 232 S CB 0.197 63.440 63.200 0.072 0.000 0.954 232 S HN 0.281 nan 8.310 nan 0.000 0.572 233 F N 1.730 121.735 119.950 0.091 0.000 2.420 233 F HA 0.217 4.740 4.527 -0.006 0.000 0.352 233 F C 0.842 176.768 175.800 0.210 0.000 1.108 233 F CA -0.481 57.625 58.000 0.176 0.000 1.162 233 F CB 0.634 39.764 39.000 0.217 0.000 1.118 233 F HN 0.433 nan 8.300 nan 0.000 0.510 234 D N 5.128 125.773 120.400 0.408 0.000 2.352 234 D HA 0.141 4.777 4.640 -0.006 0.000 0.245 234 D C 0.217 176.718 176.300 0.335 0.000 1.224 234 D CA 0.083 54.317 54.000 0.390 0.000 0.879 234 D CB 0.709 41.772 40.800 0.438 0.000 1.057 234 D HN 0.549 nan 8.370 nan 0.000 0.491 235 L N 2.581 123.914 121.223 0.184 0.000 2.741 235 L HA 0.136 4.473 4.340 -0.006 0.000 0.237 235 L C 0.870 177.708 176.870 -0.054 0.000 1.178 235 L CA -0.375 54.476 54.840 0.019 0.000 0.973 235 L CB -0.048 42.037 42.059 0.042 0.000 1.255 235 L HN 0.132 nan 8.230 nan 0.000 0.498 236 S N -1.010 114.645 115.700 -0.076 0.000 2.576 236 S HA 0.105 4.571 4.470 -0.006 0.000 0.272 236 S C 0.337 174.668 174.600 -0.448 0.000 1.352 236 S CA -0.307 57.665 58.200 -0.380 0.000 1.021 236 S CB 0.095 62.909 63.200 -0.644 0.000 0.887 236 S HN 0.383 nan 8.310 nan 0.000 0.542 237 Y N -1.660 118.460 120.300 -0.300 0.000 4.753 237 Y HA -0.229 4.317 4.550 -0.006 0.000 0.232 237 Y C 0.818 176.369 175.900 -0.582 0.000 1.029 237 Y CA 0.690 58.524 58.100 -0.444 0.000 1.996 237 Y CB -2.327 35.811 38.460 -0.537 0.000 1.602 237 Y HN 0.670 nan 8.280 nan 0.000 0.621 238 S N -0.455 115.112 115.700 -0.222 0.000 2.462 238 S HA 0.600 5.067 4.470 -0.006 0.000 0.294 238 S C 0.891 175.443 174.600 -0.080 0.000 1.144 238 S CA -0.184 57.933 58.200 -0.138 0.000 1.088 238 S CB 1.622 64.781 63.200 -0.067 0.000 1.009 238 S HN 0.083 nan 8.310 nan 0.000 0.484 239 V N 5.710 125.602 119.914 -0.037 0.000 2.346 239 V HA -0.016 4.101 4.120 -0.006 0.000 0.244 239 V C 1.694 177.807 176.094 0.032 0.000 1.037 239 V CA 1.469 63.780 62.300 0.018 0.000 1.029 239 V CB -0.533 31.330 31.823 0.068 0.000 0.663 239 V HN 0.856 nan 8.190 nan 0.000 0.454 240 L N 0.280 121.501 121.223 -0.004 0.000 2.627 240 L HA 0.165 4.501 4.340 -0.006 0.000 0.232 240 L C 1.293 178.126 176.870 -0.062 0.000 1.150 240 L CA 0.049 54.842 54.840 -0.078 0.000 0.917 240 L CB -0.690 41.266 42.059 -0.171 0.000 1.104 240 L HN 0.198 nan 8.230 nan 0.000 0.445 241 R N 0.958 121.442 120.500 -0.027 0.000 2.802 241 R HA -0.008 4.328 4.340 -0.006 0.000 0.264 241 R C 0.445 176.732 176.300 -0.021 0.000 0.996 241 R CA 0.290 56.380 56.100 -0.018 0.000 1.123 241 R CB 0.526 30.815 30.300 -0.018 0.000 0.996 241 R HN 0.159 nan 8.270 nan 0.000 0.444 242 S N 1.936 117.642 115.700 0.009 0.000 2.541 242 S HA 0.313 4.779 4.470 -0.006 0.000 0.283 242 S C -0.454 174.207 174.600 0.101 0.000 1.196 242 S CA -0.921 57.311 58.200 0.054 0.000 1.062 242 S CB 1.382 64.656 63.200 0.123 0.000 1.009 242 S HN 0.365 nan 8.310 nan 0.000 0.502 243 V N 4.142 124.159 119.914 0.170 0.000 2.649 243 V HA 0.318 4.434 4.120 -0.006 0.000 0.292 243 V C 0.984 177.196 176.094 0.198 0.000 1.055 243 V CA -0.538 61.868 62.300 0.177 0.000 1.023 243 V CB 1.348 33.310 31.823 0.231 0.000 0.992 243 V HN 1.022 nan 8.190 nan 0.000 0.480 244 S N 5.397 121.181 115.700 0.140 0.000 2.558 244 S HA 0.070 4.536 4.470 -0.006 0.000 0.293 244 S C -1.281 173.415 174.600 0.160 0.000 1.292 244 S CA -0.606 57.672 58.200 0.130 0.000 1.063 244 S CB 0.750 64.019 63.200 0.116 0.000 0.831 244 S HN 0.621 nan 8.310 nan 0.000 0.499 245 P HA -0.124 nan 4.420 nan 0.000 0.215 245 P C 1.589 178.951 177.300 0.104 0.000 1.153 245 P CA 0.930 64.076 63.100 0.078 0.000 0.853 245 P CB -0.008 31.716 31.700 0.040 0.000 0.788 246 I N -0.990 119.652 120.570 0.119 0.000 2.151 246 I HA -0.274 3.892 4.170 -0.006 0.000 0.243 246 I C 2.345 178.577 176.117 0.192 0.000 1.080 246 I CA 2.064 63.448 61.300 0.140 0.000 1.339 246 I CB -1.628 36.458 38.000 0.142 0.000 1.039 246 I HN 0.121 nan 8.210 nan 0.000 0.409 247 H N -0.157 118.984 119.070 0.117 0.000 2.495 247 H HA -0.082 4.471 4.556 -0.006 0.000 0.287 247 H C 2.357 177.757 175.328 0.121 0.000 1.033 247 H CA 1.521 57.632 56.048 0.105 0.000 1.307 247 H CB 0.196 29.985 29.762 0.044 0.000 1.401 247 H HN 0.289 nan 8.280 nan 0.000 0.555 248 C N -0.070 119.326 119.300 0.161 0.000 2.476 248 C HA -0.053 4.403 4.460 -0.006 0.000 0.278 248 C C 2.580 177.600 174.990 0.051 0.000 1.274 248 C CA 0.989 60.071 59.018 0.107 0.000 1.713 248 C CB -0.495 27.306 27.740 0.103 0.000 2.039 248 C HN 0.721 nan 8.230 nan 0.000 0.484 249 E N -0.316 119.920 120.200 0.059 0.000 2.049 249 E HA -0.290 4.057 4.350 -0.006 0.000 0.198 249 E C 1.865 178.492 176.600 0.045 0.000 1.007 249 E CA 1.683 58.108 56.400 0.041 0.000 0.809 249 E CB -0.366 29.360 29.700 0.044 0.000 0.749 249 E HN 0.761 nan 8.360 nan 0.000 0.450 250 Y N 0.967 121.220 120.300 -0.079 0.000 1.993 250 Y HA -0.334 4.213 4.550 -0.005 0.000 0.267 250 Y C 2.285 178.097 175.900 -0.146 0.000 1.155 250 Y CA 2.132 60.162 58.100 -0.116 0.000 1.105 250 Y CB -0.323 38.012 38.460 -0.209 0.000 0.960 250 Y HN 0.062 nan 8.280 nan 0.000 0.486 251 L N -0.466 120.806 121.223 0.081 0.000 2.043 251 L HA -0.305 4.031 4.340 -0.006 0.000 0.212 251 L C 2.522 179.390 176.870 -0.004 0.000 1.075 251 L CA 2.082 56.908 54.840 -0.024 0.000 0.752 251 L CB -1.008 40.963 42.059 -0.146 0.000 0.891 251 L HN 0.486 nan 8.230 nan 0.000 0.432 252 T N -3.018 111.539 114.554 0.005 0.000 2.777 252 T HA -0.070 4.276 4.350 -0.006 0.000 0.266 252 T C 1.111 175.811 174.700 0.000 0.000 1.040 252 T CA 0.397 62.500 62.100 0.005 0.000 1.141 252 T CB -0.545 68.328 68.868 0.007 0.000 0.868 252 T HN 0.182 nan 8.240 nan 0.000 0.444 256 V N 0.163 120.074 119.914 -0.005 0.000 2.656 256 V HA 0.564 4.680 4.120 -0.006 0.000 0.307 256 V C 0.696 176.783 176.094 -0.011 0.000 1.051 256 V CA -0.853 61.427 62.300 -0.034 0.000 0.893 256 V CB 2.026 33.748 31.823 -0.167 0.000 0.999 256 V HN 0.326 nan 8.190 nan 0.000 0.426 257 R N 1.378 121.895 120.500 0.028 0.000 2.316 257 R HA 0.594 4.930 4.340 -0.006 0.000 0.201 257 R C 0.344 176.684 176.300 0.067 0.000 0.888 257 R CA 0.665 56.797 56.100 0.053 0.000 1.041 257 R CB 1.342 31.680 30.300 0.063 0.000 1.115 257 R HN 0.815 nan 8.270 nan 0.000 0.559 258 A N -0.107 122.767 122.820 0.090 0.000 2.485 258 A HA 0.724 5.040 4.320 -0.006 0.000 0.292 258 A C -0.860 176.837 177.584 0.188 0.000 1.147 258 A CA -0.436 51.673 52.037 0.120 0.000 0.750 258 A CB 2.133 21.183 19.000 0.082 0.000 1.331 258 A HN 0.014 nan 8.150 nan 0.000 0.419 262 I N 2.301 122.880 120.570 0.016 0.000 2.428 262 I HA 0.476 4.642 4.170 -0.006 0.000 0.289 262 I C 0.858 177.061 176.117 0.143 0.000 1.019 262 I CA -0.173 61.195 61.300 0.112 0.000 1.351 262 I CB 1.270 39.389 38.000 0.199 0.000 1.412 262 I HN 0.724 nan 8.210 nan 0.000 0.513 263 S N 5.985 121.744 115.700 0.099 0.000 2.616 263 S HA 0.668 5.134 4.470 -0.006 0.000 0.277 263 S C -0.085 174.574 174.600 0.099 0.000 1.234 263 S CA -0.466 57.785 58.200 0.086 0.000 1.028 263 S CB 1.241 64.481 63.200 0.066 0.000 0.988 263 S HN 0.351 nan 8.310 nan 0.000 0.522 264 I N 2.365 123.004 120.570 0.115 0.000 2.436 264 I HA 0.458 4.625 4.170 -0.006 0.000 0.289 264 I C -1.143 175.060 176.117 0.143 0.000 1.010 264 I CA -0.718 60.648 61.300 0.110 0.000 1.098 264 I CB 1.844 39.954 38.000 0.184 0.000 1.266 264 I HN 0.203 nan 8.210 nan 0.000 0.434 265 V N 6.670 126.619 119.914 0.058 0.000 2.483 265 V HA 0.569 4.686 4.120 -0.006 0.000 0.297 265 V C -0.251 175.852 176.094 0.014 0.000 1.027 265 V CA -0.746 61.589 62.300 0.060 0.000 0.855 265 V CB 1.884 33.720 31.823 0.022 0.000 0.995 265 V HN 0.535 nan 8.190 nan 0.000 0.424 266 V N 1.852 121.807 119.914 0.067 0.000 2.823 266 V HA 1.091 5.207 4.120 -0.006 0.000 0.312 266 V C 0.554 176.677 176.094 0.047 0.000 1.072 266 V CA 0.279 62.585 62.300 0.010 0.000 0.937 266 V CB 1.094 32.883 31.823 -0.057 0.000 1.013 266 V HN 1.734 nan 8.190 nan 0.000 0.430 267 G N 3.086 111.897 108.800 0.017 0.000 2.566 267 G HA2 -0.016 3.940 3.960 -0.006 0.000 0.280 267 G HA3 -0.016 3.940 3.960 -0.006 0.000 0.280 267 G C 0.731 175.635 174.900 0.007 0.000 1.225 267 G CA 0.349 45.459 45.100 0.017 0.000 0.966 267 G HN 2.338 nan 8.290 nan 0.000 0.560 268 G N -0.153 108.648 108.800 0.002 0.000 3.609 268 G HA2 0.536 4.493 3.960 -0.006 0.000 0.280 268 G HA3 0.536 4.493 3.960 -0.006 0.000 0.280 268 G C 0.305 175.194 174.900 -0.018 0.000 1.155 268 G CA 0.674 45.770 45.100 -0.008 0.000 0.876 268 G HN 0.624 nan 8.290 nan 0.000 0.535 269 K N -0.179 120.218 120.400 -0.005 0.000 2.328 269 K HA 0.461 4.778 4.320 -0.006 0.000 0.246 269 K C -1.032 175.562 176.600 -0.010 0.000 0.955 269 K CA -1.048 55.221 56.287 -0.030 0.000 0.817 269 K CB 2.543 35.022 32.500 -0.034 0.000 1.208 269 K HN 0.000 nan 8.250 nan 0.000 0.432 270 L N 3.108 124.270 121.223 -0.102 0.000 2.536 270 L HA 0.077 4.414 4.340 -0.006 0.000 0.282 270 L C 0.095 176.933 176.870 -0.054 0.000 1.147 270 L CA 0.362 55.133 54.840 -0.115 0.000 0.936 270 L CB -0.215 41.661 42.059 -0.303 0.000 1.279 270 L HN 0.765 nan 8.230 nan 0.000 0.461 271 W N 5.924 127.211 121.300 -0.022 0.000 2.800 271 W HA 0.373 5.030 4.660 -0.005 0.000 0.249 271 W C 0.877 177.535 176.519 0.232 0.000 1.294 271 W CA 0.844 58.227 57.345 0.063 0.000 1.402 271 W CB 0.275 29.741 29.460 0.010 0.000 1.126 271 W HN 0.683 nan 8.180 nan 0.000 0.652 272 G N 0.570 109.657 108.800 0.479 0.000 2.353 272 G HA2 0.351 4.308 3.960 -0.006 0.000 0.308 272 G HA3 0.351 4.308 3.960 -0.006 0.000 0.308 272 G C -2.063 172.990 174.900 0.255 0.000 1.418 272 G CA -0.628 44.700 45.100 0.380 0.000 0.966 272 G HN 0.674 nan 8.290 nan 0.000 0.638 273 L N -2.356 118.919 121.223 0.087 0.000 2.518 273 L HA 0.940 5.277 4.340 -0.006 0.000 0.257 273 L C -1.235 175.514 176.870 -0.202 0.000 0.980 273 L CA -1.344 53.486 54.840 -0.017 0.000 0.837 273 L CB 1.370 43.466 42.059 0.062 0.000 1.410 273 L HN 0.500 nan 8.230 nan 0.000 0.410 274 F N 0.740 120.671 119.950 -0.031 0.000 2.410 274 F HA 0.679 5.203 4.527 -0.006 0.000 0.348 274 F C 0.938 176.612 175.800 -0.210 0.000 1.106 274 F CA 0.081 58.011 58.000 -0.117 0.000 1.163 274 F CB 1.754 40.689 39.000 -0.108 0.000 1.129 274 F HN 0.661 nan 8.300 nan 0.000 0.516 275 S N 2.881 118.499 115.700 -0.137 0.000 2.519 275 S HA 0.621 5.087 4.470 -0.006 0.000 0.309 275 S C -1.106 173.270 174.600 -0.374 0.000 1.100 275 S CA -0.576 57.461 58.200 -0.271 0.000 1.059 275 S CB 0.454 63.429 63.200 -0.374 0.000 1.008 275 S HN 0.703 nan 8.310 nan 0.000 0.478 276 C N 5.072 124.145 119.300 -0.377 0.000 2.329 276 C HA 0.695 5.152 4.460 -0.006 0.000 0.329 276 C C -0.544 174.373 174.990 -0.121 0.000 1.275 276 C CA -0.695 57.976 59.018 -0.578 0.000 1.726 276 C CB -0.288 26.616 27.740 -1.394 0.000 2.291 276 C HN 0.872 nan 8.230 nan 0.000 0.514 277 H N 0.752 119.758 119.070 -0.107 0.000 2.637 277 H HA 0.621 5.173 4.556 -0.006 0.000 0.363 277 H C -0.515 175.033 175.328 0.368 0.000 1.131 277 H CA -0.207 55.911 56.048 0.118 0.000 1.183 277 H CB 1.227 30.969 29.762 -0.034 0.000 1.637 277 H HN 0.816 nan 8.280 nan 0.000 0.531 281 P HA 0.446 nan 4.420 nan 0.000 0.268 281 P C -0.858 176.355 177.300 -0.145 0.000 1.208 281 P CA 0.030 63.114 63.100 -0.026 0.000 0.777 281 P CB 0.291 31.978 31.700 -0.022 0.000 0.875 282 K N 1.612 121.899 120.400 -0.187 0.000 2.557 282 K HA 0.638 4.954 4.320 -0.006 0.000 0.261 282 K C -2.163 174.289 176.600 -0.247 0.000 0.932 282 K CA -0.711 55.376 56.287 -0.335 0.000 0.829 282 K CB 1.241 33.353 32.500 -0.646 0.000 1.358 282 K HN 0.343 nan 8.250 nan 0.000 0.430 283 L N 5.285 126.365 121.223 -0.238 0.000 2.504 283 L HA 0.509 4.845 4.340 -0.006 0.000 0.265 283 L C -1.649 175.157 176.870 -0.107 0.000 0.975 283 L CA -0.756 53.981 54.840 -0.171 0.000 0.864 283 L CB 1.105 43.059 42.059 -0.175 0.000 1.212 283 L HN 0.616 nan 8.230 nan 0.000 0.416 284 I N 7.022 127.573 120.570 -0.031 0.000 2.342 284 I HA 0.391 4.557 4.170 -0.006 0.000 0.291 284 I C -1.890 174.241 176.117 0.022 0.000 1.010 284 I CA -1.943 59.365 61.300 0.014 0.000 1.308 284 I CB 0.855 38.924 38.000 0.114 0.000 1.400 284 I HN 0.435 nan 8.210 nan 0.000 0.488 285 P HA -0.108 nan 4.420 nan 0.000 0.266 285 P C 0.505 177.856 177.300 0.085 0.000 1.193 285 P CA 0.194 63.326 63.100 0.054 0.000 0.770 285 P CB 0.326 32.045 31.700 0.031 0.000 0.836 286 Y N 6.353 126.663 120.300 0.017 0.000 2.040 286 Y HA -0.257 4.290 4.550 -0.006 0.000 0.275 286 Y C -0.838 175.072 175.900 0.016 0.000 1.171 286 Y CA 2.645 60.756 58.100 0.019 0.000 1.123 286 Y CB -2.139 36.334 38.460 0.022 0.000 0.963 286 Y HN 0.453 nan 8.280 nan 0.000 0.493 287 P HA -0.220 nan 4.420 nan 0.000 0.215 287 P C 1.961 179.239 177.300 -0.038 0.000 1.157 287 P CA 2.430 65.562 63.100 0.054 0.000 0.874 287 P CB -0.149 31.631 31.700 0.134 0.000 0.790 288 V N -0.539 119.287 119.914 -0.147 0.000 2.261 288 V HA -0.202 3.915 4.120 -0.006 0.000 0.246 288 V C 1.661 177.399 176.094 -0.593 0.000 1.047 288 V CA 1.400 63.457 62.300 -0.406 0.000 1.015 288 V CB -1.007 30.617 31.823 -0.332 0.000 0.642 288 V HN 0.114 nan 8.190 nan 0.000 0.446 292 F N 2.998 122.892 119.950 -0.093 0.000 2.325 292 F HA 0.211 4.735 4.527 -0.006 0.000 0.299 292 F C 2.707 178.561 175.800 0.089 0.000 1.090 292 F CA 1.016 59.029 58.000 0.022 0.000 1.392 292 F CB -0.817 38.169 39.000 -0.022 0.000 1.053 292 F HN 0.369 nan 8.300 nan 0.000 0.521 293 Q N 0.992 120.899 119.800 0.177 0.000 2.050 293 Q HA -0.206 4.130 4.340 -0.006 0.000 0.202 293 Q C 2.370 178.426 176.000 0.094 0.000 0.980 293 Q CA 2.155 58.020 55.803 0.104 0.000 0.840 293 Q CB -0.403 28.351 28.738 0.027 0.000 0.898 293 Q HN 0.570 nan 8.270 nan 0.000 0.424 294 I N -0.285 120.341 120.570 0.094 0.000 2.315 294 I HA -0.195 3.972 4.170 -0.006 0.000 0.248 294 I C 2.062 178.241 176.117 0.105 0.000 1.117 294 I CA 1.066 62.415 61.300 0.082 0.000 1.404 294 I CB -0.285 37.768 38.000 0.089 0.000 1.071 294 I HN 0.332 nan 8.210 nan 0.000 0.419 295 F N 1.749 121.714 119.950 0.025 0.000 2.043 295 F HA -0.315 4.208 4.527 -0.006 0.000 0.297 295 F C 2.790 178.603 175.800 0.023 0.000 1.121 295 F CA 2.119 60.132 58.000 0.022 0.000 1.199 295 F CB -1.138 37.891 39.000 0.047 0.000 0.968 295 F HN 0.254 nan 8.300 nan 0.000 0.478 296 S N -0.315 115.276 115.700 -0.181 0.000 2.365 296 S HA -0.374 4.093 4.470 -0.006 0.000 0.225 296 S C 2.222 176.688 174.600 -0.224 0.000 1.039 296 S CA 1.898 59.937 58.200 -0.269 0.000 1.033 296 S CB -0.858 62.332 63.200 -0.016 0.000 0.887 296 S HN 0.750 nan 8.310 nan 0.000 0.447 297 Q N 0.034 119.764 119.800 -0.116 0.000 2.014 297 Q HA -0.133 4.203 4.340 -0.006 0.000 0.207 297 Q C 2.119 178.043 176.000 -0.128 0.000 0.993 297 Q CA 2.446 58.196 55.803 -0.087 0.000 0.850 297 Q CB -0.464 28.251 28.738 -0.038 0.000 0.916 297 Q HN 0.493 nan 8.270 nan 0.000 0.417 298 V N 0.536 120.369 119.914 -0.136 0.000 2.220 298 V HA -0.397 3.719 4.120 -0.006 0.000 0.250 298 V C 2.602 178.573 176.094 -0.205 0.000 1.056 298 V CA 1.976 64.197 62.300 -0.132 0.000 1.016 298 V CB -0.879 30.897 31.823 -0.079 0.000 0.639 298 V HN 0.733 nan 8.190 nan 0.000 0.446 299 C N -0.429 118.631 119.300 -0.401 0.000 2.385 299 C HA -0.223 4.233 4.460 -0.006 0.000 0.275 299 C C 3.221 178.059 174.990 -0.255 0.000 1.207 299 C CA 1.986 60.763 59.018 -0.402 0.000 1.760 299 C CB -1.163 26.119 27.740 -0.763 0.000 2.051 299 C HN 0.679 nan 8.230 nan 0.000 0.467 300 S N 0.140 115.703 115.700 -0.229 0.000 2.356 300 S HA -0.113 4.354 4.470 -0.006 0.000 0.223 300 S C 2.124 176.614 174.600 -0.183 0.000 1.032 300 S CA 1.440 59.530 58.200 -0.184 0.000 1.005 300 S CB -0.632 62.497 63.200 -0.119 0.000 0.867 300 S HN 0.819 nan 8.310 nan 0.000 0.449 301 A N 1.782 124.517 122.820 -0.142 0.000 1.842 301 A HA -0.157 4.159 4.320 -0.006 0.000 0.217 301 A C 1.994 179.500 177.584 -0.131 0.000 1.206 301 A CA 1.840 53.807 52.037 -0.116 0.000 0.630 301 A CB -1.096 17.853 19.000 -0.085 0.000 0.839 301 A HN 0.375 nan 8.150 nan 0.000 0.447 302 I N -0.408 120.089 120.570 -0.121 0.000 2.181 302 I HA -0.261 3.905 4.170 -0.006 0.000 0.247 302 I C 2.412 178.438 176.117 -0.153 0.000 1.081 302 I CA 1.415 62.652 61.300 -0.106 0.000 1.340 302 I CB -0.633 37.321 38.000 -0.076 0.000 1.036 302 I HN 0.144 nan 8.210 nan 0.000 0.417 303 V N -0.109 119.665 119.914 -0.235 0.000 2.548 303 V HA -0.247 3.869 4.120 -0.006 0.000 0.249 303 V C 2.461 178.313 176.094 -0.402 0.000 1.055 303 V CA 1.847 63.918 62.300 -0.381 0.000 1.065 303 V CB -0.507 30.945 31.823 -0.618 0.000 0.681 303 V HN 0.547 nan 8.190 nan 0.000 0.462 304 E N 0.193 120.208 120.200 -0.308 0.000 2.072 304 E HA -0.233 4.114 4.350 -0.006 0.000 0.191 304 E C 2.429 178.937 176.600 -0.153 0.000 0.985 304 E CA 1.247 57.506 56.400 -0.236 0.000 0.801 304 E CB -0.119 29.483 29.700 -0.163 0.000 0.750 304 E HN 0.435 nan 8.360 nan 0.000 0.452 305 R N -0.331 120.095 120.500 -0.123 0.000 2.093 305 R HA -0.062 4.274 4.340 -0.006 0.000 0.224 305 R C 2.269 178.525 176.300 -0.073 0.000 1.101 305 R CA 0.584 56.637 56.100 -0.079 0.000 0.979 305 R CB -0.073 30.190 30.300 -0.062 0.000 0.877 305 R HN 0.202 nan 8.270 nan 0.000 0.441 306 L N 1.310 122.477 121.223 -0.093 0.000 2.013 306 L HA -0.211 4.125 4.340 -0.006 0.000 0.212 306 L C 2.187 179.020 176.870 -0.062 0.000 1.073 306 L CA 1.829 56.624 54.840 -0.074 0.000 0.753 306 L CB -0.455 41.548 42.059 -0.093 0.000 0.890 306 L HN 0.150 nan 8.230 nan 0.000 0.432 307 E N -0.771 119.372 120.200 -0.096 0.000 2.158 307 E HA -0.173 4.173 4.350 -0.006 0.000 0.191 307 E C 2.083 178.675 176.600 -0.013 0.000 0.982 307 E CA 0.864 57.237 56.400 -0.045 0.000 0.823 307 E CB -0.047 29.607 29.700 -0.077 0.000 0.766 307 E HN 0.726 nan 8.360 nan 0.000 0.468 308 Q N 0.022 119.803 119.800 -0.032 0.000 2.167 308 Q HA -0.047 4.289 4.340 -0.006 0.000 0.202 308 Q C 2.055 178.050 176.000 -0.009 0.000 0.970 308 Q CA 1.550 57.345 55.803 -0.014 0.000 0.855 308 Q CB -0.466 28.259 28.738 -0.021 0.000 0.911 308 Q HN 0.109 nan 8.270 nan 0.000 0.438 309 G N 1.527 110.318 108.800 -0.015 0.000 2.404 309 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.215 309 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.215 309 G C 1.526 176.426 174.900 -0.000 0.000 1.174 309 G CA 0.688 45.783 45.100 -0.009 0.000 0.780 309 G HN 0.352 nan 8.290 nan 0.000 0.537 310 R N 0.449 120.951 120.500 0.004 0.000 2.103 310 R HA -0.118 4.219 4.340 -0.006 0.000 0.234 310 R C 2.608 178.919 176.300 0.017 0.000 1.132 310 R CA 2.021 58.130 56.100 0.015 0.000 0.925 310 R CB -0.449 29.867 30.300 0.027 0.000 0.842 310 R HN 0.417 nan 8.270 nan 0.000 0.430 311 I N -0.277 120.306 120.570 0.022 0.000 2.315 311 I HA -0.100 4.066 4.170 -0.006 0.000 0.248 311 I C 2.006 178.129 176.117 0.010 0.000 1.117 311 I CA 2.008 63.320 61.300 0.021 0.000 1.404 311 I CB -1.319 36.700 38.000 0.032 0.000 1.071 311 I HN 0.267 nan 8.210 nan 0.000 0.419 312 A N 1.231 124.056 122.820 0.007 0.000 1.948 312 A HA -0.289 4.027 4.320 -0.006 0.000 0.220 312 A C 2.193 179.778 177.584 0.000 0.000 1.177 312 A CA 2.246 54.284 52.037 0.001 0.000 0.636 312 A CB -0.737 18.262 19.000 -0.001 0.000 0.815 312 A HN 0.647 nan 8.150 nan 0.000 0.449 313 E N 0.375 120.577 120.200 0.002 0.000 2.006 313 E HA -0.110 4.237 4.350 -0.006 0.000 0.192 313 E C 1.920 178.521 176.600 0.001 0.000 0.993 313 E CA 1.388 57.789 56.400 0.002 0.000 0.808 313 E CB -0.496 29.207 29.700 0.005 0.000 0.764 313 E HN 0.528 nan 8.360 nan 0.000 0.449 314 L N 0.276 121.501 121.223 0.004 0.000 2.021 314 L HA -0.215 4.122 4.340 -0.006 0.000 0.215 314 L C 2.632 179.499 176.870 -0.006 0.000 1.074 314 L CA 1.204 56.045 54.840 0.001 0.000 0.760 314 L CB -0.903 41.158 42.059 0.004 0.000 0.889 314 L HN 0.267 nan 8.230 nan 0.000 0.433 315 L N 0.094 121.313 121.223 -0.006 0.000 2.043 315 L HA -0.226 4.110 4.340 -0.006 0.000 0.212 315 L C 2.815 179.678 176.870 -0.013 0.000 1.075 315 L CA 1.738 56.571 54.840 -0.012 0.000 0.752 315 L CB -0.668 41.385 42.059 -0.009 0.000 0.891 315 L HN 0.148 nan 8.230 nan 0.000 0.432 316 R N -0.740 119.755 120.500 -0.009 0.000 2.064 316 R HA -0.148 4.188 4.340 -0.006 0.000 0.228 316 R C 2.373 178.668 176.300 -0.008 0.000 1.144 316 R CA 2.177 58.272 56.100 -0.008 0.000 0.932 316 R CB -0.663 29.634 30.300 -0.005 0.000 0.833 316 R HN 0.424 nan 8.270 nan 0.000 0.429 317 V N -0.056 119.855 119.914 -0.005 0.000 2.363 317 V HA -0.273 3.843 4.120 -0.006 0.000 0.254 317 V C 2.188 178.278 176.094 -0.006 0.000 1.074 317 V CA 2.696 64.995 62.300 -0.003 0.000 1.069 317 V CB -0.849 30.974 31.823 0.001 0.000 0.659 317 V HN 0.531 nan 8.190 nan 0.000 0.455 318 S N 1.216 116.909 115.700 -0.013 0.000 2.345 318 S HA -0.190 4.276 4.470 -0.006 0.000 0.219 318 S C 2.211 176.796 174.600 -0.024 0.000 1.031 318 S CA 2.341 60.528 58.200 -0.022 0.000 0.984 318 S CB -1.028 62.152 63.200 -0.034 0.000 0.874 318 S HN 0.952 nan 8.310 nan 0.000 0.451 319 T N 0.626 115.166 114.554 -0.023 0.000 2.708 319 T HA -0.032 4.314 4.350 -0.006 0.000 0.266 319 T C 1.710 176.400 174.700 -0.016 0.000 1.037 319 T CA 1.295 63.381 62.100 -0.023 0.000 1.146 319 T CB -0.820 68.034 68.868 -0.022 0.000 0.865 319 T HN 0.368 nan 8.240 nan 0.000 0.435 320 E N 1.285 121.478 120.200 -0.012 0.000 2.187 320 E HA -0.183 4.163 4.350 -0.006 0.000 0.199 320 E C 2.371 178.967 176.600 -0.006 0.000 1.004 320 E CA 1.014 57.409 56.400 -0.009 0.000 0.813 320 E CB -0.299 29.398 29.700 -0.006 0.000 0.736 320 E HN 0.575 nan 8.360 nan 0.000 0.468 321 R N 0.312 120.809 120.500 -0.005 0.000 2.075 321 R HA -0.056 4.280 4.340 -0.006 0.000 0.230 321 R C 2.566 178.868 176.300 0.003 0.000 1.140 321 R CA 1.080 57.181 56.100 0.003 0.000 0.928 321 R CB -0.242 30.061 30.300 0.006 0.000 0.834 321 R HN 0.075 nan 8.270 nan 0.000 0.429 322 R N 0.601 121.099 120.500 -0.003 0.000 2.143 322 R HA -0.217 4.119 4.340 -0.006 0.000 0.239 322 R C 2.428 178.722 176.300 -0.010 0.000 1.126 322 R CA 2.059 58.157 56.100 -0.004 0.000 0.927 322 R CB -0.768 29.524 30.300 -0.015 0.000 0.860 322 R HN 0.228 nan 8.270 nan 0.000 0.433 323 L N -0.149 121.066 121.223 -0.014 0.000 2.043 323 L HA -0.237 4.100 4.340 -0.006 0.000 0.212 323 L C 2.749 179.609 176.870 -0.017 0.000 1.075 323 L CA 1.417 56.246 54.840 -0.017 0.000 0.752 323 L CB -0.794 41.255 42.059 -0.016 0.000 0.891 323 L HN 0.333 nan 8.230 nan 0.000 0.432 324 A N 0.344 123.157 122.820 -0.012 0.000 1.859 324 A HA -0.248 4.069 4.320 -0.006 0.000 0.217 324 A C 2.305 179.881 177.584 -0.014 0.000 1.198 324 A CA 1.881 53.911 52.037 -0.011 0.000 0.629 324 A CB -0.959 18.037 19.000 -0.005 0.000 0.830 324 A HN 0.374 nan 8.150 nan 0.000 0.446 325 L N -0.558 120.660 121.223 -0.009 0.000 2.127 325 L HA -0.202 4.134 4.340 -0.006 0.000 0.211 325 L C 2.654 179.505 176.870 -0.031 0.000 1.089 325 L CA 2.453 57.287 54.840 -0.011 0.000 0.757 325 L CB -1.265 40.799 42.059 0.007 0.000 0.899 325 L HN 0.453 nan 8.230 nan 0.000 0.434 326 A N 0.225 123.025 122.820 -0.034 0.000 1.855 326 A HA -0.222 4.095 4.320 -0.006 0.000 0.215 326 A C 2.282 179.839 177.584 -0.046 0.000 1.191 326 A CA 1.494 53.502 52.037 -0.048 0.000 0.613 326 A CB -0.504 18.469 19.000 -0.044 0.000 0.829 326 A HN 0.460 nan 8.150 nan 0.000 0.442 327 R N -0.675 119.804 120.500 -0.035 0.000 2.105 327 R HA -0.122 4.215 4.340 -0.006 0.000 0.239 327 R C 2.448 178.728 176.300 -0.033 0.000 1.135 327 R CA 1.614 57.694 56.100 -0.032 0.000 0.967 327 R CB -0.312 29.973 30.300 -0.025 0.000 0.861 327 R HN 0.489 nan 8.270 nan 0.000 0.442 328 R N 0.327 120.807 120.500 -0.033 0.000 2.073 328 R HA -0.096 4.240 4.340 -0.006 0.000 0.234 328 R C 2.361 178.637 176.300 -0.039 0.000 1.134 328 R CA 1.642 57.722 56.100 -0.034 0.000 0.952 328 R CB -0.354 29.927 30.300 -0.031 0.000 0.850 328 R HN 0.221 nan 8.270 nan 0.000 0.433 329 A N 0.834 123.623 122.820 -0.051 0.000 1.854 329 A HA -0.123 4.193 4.320 -0.006 0.000 0.214 329 A C 2.101 179.645 177.584 -0.067 0.000 1.192 329 A CA 1.163 53.159 52.037 -0.069 0.000 0.611 329 A CB -0.472 18.465 19.000 -0.105 0.000 0.832 329 A HN 0.230 nan 8.150 nan 0.000 0.442 330 R N -0.386 120.073 120.500 -0.067 0.000 2.159 330 R HA -0.168 4.168 4.340 -0.006 0.000 0.237 330 R C 0.189 176.464 176.300 -0.042 0.000 1.131 330 R CA 1.826 57.890 56.100 -0.060 0.000 0.982 330 R CB -0.164 30.103 30.300 -0.055 0.000 0.868 330 R HN 0.399 nan 8.270 nan 0.000 0.453 331 D N -0.730 119.649 120.400 -0.036 0.000 2.369 331 D HA 0.191 4.827 4.640 -0.006 0.000 0.211 331 D C -0.318 175.970 176.300 -0.021 0.000 1.077 331 D CA 0.317 54.301 54.000 -0.026 0.000 0.842 331 D CB 1.045 41.831 40.800 -0.024 0.000 0.947 331 D HN 0.298 nan 8.370 nan 0.000 0.509 332 A N 0.076 122.882 122.820 -0.023 0.000 2.313 332 A HA 0.463 4.780 4.320 -0.006 0.000 0.323 332 A C 0.421 178.001 177.584 -0.008 0.000 1.133 332 A CA -0.559 51.470 52.037 -0.012 0.000 0.847 332 A CB 1.503 20.497 19.000 -0.010 0.000 1.308 332 A HN -0.192 nan 8.150 nan 0.000 0.475 333 D N -0.620 119.785 120.400 0.008 0.000 2.394 333 D HA 0.007 4.643 4.640 -0.006 0.000 0.226 333 D C -0.585 175.741 176.300 0.044 0.000 0.990 333 D CA 0.518 54.529 54.000 0.019 0.000 0.902 333 D CB 0.225 41.039 40.800 0.024 0.000 1.038 333 D HN 0.508 nan 8.370 nan 0.000 0.499 334 D N 1.308 121.741 120.400 0.054 0.000 2.402 334 D HA 0.100 4.736 4.640 -0.006 0.000 0.235 334 D C 1.368 177.712 176.300 0.074 0.000 1.226 334 D CA -0.017 54.043 54.000 0.100 0.000 0.918 334 D CB 0.691 41.549 40.800 0.097 0.000 1.043 334 D HN 0.047 nan 8.370 nan 0.000 0.506 335 L N 2.541 123.794 121.223 0.050 0.000 2.202 335 L HA -0.019 4.317 4.340 -0.006 0.000 0.205 335 L C 1.889 178.702 176.870 -0.095 0.000 1.083 335 L CA 0.305 55.091 54.840 -0.089 0.000 0.790 335 L CB -0.312 41.602 42.059 -0.242 0.000 0.942 335 L HN 0.314 nan 8.230 nan 0.000 0.452 336 F N 1.111 121.070 119.950 0.015 0.000 2.126 336 F HA -0.121 4.402 4.527 -0.006 0.000 0.299 336 F C 2.546 178.371 175.800 0.041 0.000 1.096 336 F CA 1.555 59.575 58.000 0.034 0.000 1.255 336 F CB -0.963 38.062 39.000 0.041 0.000 0.997 336 F HN 0.035 nan 8.300 nan 0.000 0.479 337 G N -0.985 107.952 108.800 0.229 0.000 2.464 337 G HA2 -0.001 3.955 3.960 -0.006 0.000 0.217 337 G HA3 -0.001 3.955 3.960 -0.006 0.000 0.217 337 G C 1.772 176.761 174.900 0.148 0.000 1.138 337 G CA 0.658 45.861 45.100 0.171 0.000 0.793 337 G HN 0.439 nan 8.290 nan 0.000 0.539 338 A N 0.376 123.248 122.820 0.087 0.000 1.903 338 A HA 0.316 4.632 4.320 -0.006 0.000 0.213 338 A C 2.225 179.838 177.584 0.048 0.000 1.185 338 A CA 0.497 52.564 52.037 0.049 0.000 0.628 338 A CB -0.268 18.732 19.000 -0.001 0.000 0.830 338 A HN 0.293 nan 8.150 nan 0.000 0.446 339 L N -1.143 120.087 121.223 0.011 0.000 2.465 339 L HA 0.002 4.338 4.340 -0.006 0.000 0.224 339 L C 2.020 178.915 176.870 0.041 0.000 1.145 339 L CA 0.812 55.644 54.840 -0.014 0.000 0.834 339 L CB -0.017 41.976 42.059 -0.110 0.000 0.944 339 L HN 0.455 nan 8.230 nan 0.000 0.451 340 A N -3.014 119.858 122.820 0.087 0.000 2.603 340 A HA 0.090 4.406 4.320 -0.006 0.000 0.277 340 A C 0.293 177.935 177.584 0.095 0.000 1.158 340 A CA -0.368 51.723 52.037 0.089 0.000 0.962 340 A CB -0.134 18.924 19.000 0.096 0.000 1.189 340 A HN 0.188 nan 8.150 nan 0.000 0.552 341 H N 1.613 120.712 119.070 0.049 0.000 3.017 341 H HA 0.138 4.690 4.556 -0.006 0.000 0.276 341 H C -1.863 173.495 175.328 0.051 0.000 1.062 341 H CA -1.279 54.797 56.048 0.047 0.000 1.486 341 H CB 1.184 30.969 29.762 0.038 0.000 1.507 341 H HN 0.076 nan 8.280 nan 0.000 0.508 342 P HA -0.152 nan 4.420 nan 0.000 0.223 342 P C 0.432 177.807 177.300 0.125 0.000 1.140 342 P CA 1.162 64.302 63.100 0.066 0.000 0.783 342 P CB 0.452 32.159 31.700 0.012 0.000 0.759 343 D N -1.626 118.901 120.400 0.211 0.000 2.431 343 D HA -0.021 4.615 4.640 -0.006 0.000 0.235 343 D C 0.729 177.109 176.300 0.134 0.000 0.980 343 D CA 0.691 54.795 54.000 0.174 0.000 0.912 343 D CB -0.623 40.297 40.800 0.200 0.000 1.056 343 D HN 0.084 nan 8.370 nan 0.000 0.494 344 D N 0.865 121.358 120.400 0.155 0.000 2.434 344 D HA 0.203 4.839 4.640 -0.006 0.000 0.232 344 D C 0.585 176.957 176.300 0.121 0.000 1.166 344 D CA 0.015 54.073 54.000 0.096 0.000 0.830 344 D CB -0.119 40.709 40.800 0.046 0.000 0.960 344 D HN 0.021 nan 8.370 nan 0.000 0.497 345 G N 0.642 109.525 108.800 0.138 0.000 2.432 345 G HA2 0.248 4.205 3.960 -0.006 0.000 0.257 345 G HA3 0.248 4.205 3.960 -0.006 0.000 0.257 345 G C 1.477 176.470 174.900 0.154 0.000 1.238 345 G CA -0.610 44.570 45.100 0.134 0.000 0.838 345 G HN 0.318 nan 8.290 nan 0.000 0.547 346 I N 0.602 121.265 120.570 0.156 0.000 2.335 346 I HA -0.128 4.038 4.170 -0.006 0.000 0.251 346 I C 2.378 178.799 176.117 0.507 0.000 1.129 346 I CA 1.642 63.113 61.300 0.285 0.000 1.402 346 I CB -0.097 37.961 38.000 0.097 0.000 1.069 346 I HN 0.396 nan 8.210 nan 0.000 0.424 347 A N 1.438 124.461 122.820 0.338 0.000 2.084 347 A HA -0.051 4.265 4.320 -0.006 0.000 0.221 347 A C 2.471 180.205 177.584 0.251 0.000 1.161 347 A CA 1.739 53.984 52.037 0.347 0.000 0.653 347 A CB -0.923 18.209 19.000 0.220 0.000 0.802 347 A HN 0.685 nan 8.150 nan 0.000 0.457 348 A N -0.703 122.235 122.820 0.196 0.000 2.119 348 A HA 0.171 4.487 4.320 -0.006 0.000 0.217 348 A C 2.002 179.640 177.584 0.089 0.000 1.153 348 A CA 1.175 53.287 52.037 0.124 0.000 0.692 348 A CB -0.348 18.715 19.000 0.104 0.000 0.799 348 A HN 0.504 nan 8.150 nan 0.000 0.458 349 L N -1.030 120.258 121.223 0.108 0.000 2.189 349 L HA 0.261 4.597 4.340 -0.006 0.000 0.199 349 L C 0.526 177.293 176.870 -0.173 0.000 1.074 349 L CA 0.444 55.272 54.840 -0.020 0.000 0.783 349 L CB -0.242 41.822 42.059 0.008 0.000 0.955 349 L HN 0.165 nan 8.230 nan 0.000 0.460 350 I N 0.448 120.822 120.570 -0.326 0.000 2.441 350 I HA 0.274 4.440 4.170 -0.006 0.000 0.295 350 I C -2.300 173.778 176.117 -0.065 0.000 0.994 350 I CA -2.086 59.012 61.300 -0.337 0.000 1.144 350 I CB 1.732 39.272 38.000 -0.768 0.000 1.314 350 I HN -0.242 nan 8.210 nan 0.000 0.445 351 P HA 0.085 nan 4.420 nan 0.000 0.268 351 P C -0.762 176.578 177.300 0.067 0.000 1.282 351 P CA -0.151 62.964 63.100 0.025 0.000 0.880 351 P CB -0.005 31.689 31.700 -0.009 0.000 0.971 352 C N 1.159 120.527 119.300 0.114 0.000 3.336 352 C HA 0.532 4.988 4.460 -0.006 0.000 0.352 352 C C 0.654 175.702 174.990 0.096 0.000 1.567 352 C CA -0.551 58.558 59.018 0.151 0.000 1.328 352 C CB 1.732 29.665 27.740 0.322 0.000 1.922 352 C HN 0.322 nan 8.230 nan 0.000 0.439 353 D N -0.018 120.425 120.400 0.071 0.000 2.454 353 D HA 0.362 4.998 4.640 -0.006 0.000 0.219 353 D C 0.642 177.035 176.300 0.154 0.000 1.081 353 D CA 1.072 55.089 54.000 0.028 0.000 0.867 353 D CB 1.103 41.718 40.800 -0.308 0.000 1.054 353 D HN 1.042 nan 8.370 nan 0.000 0.500 354 G N -0.092 108.863 108.800 0.258 0.000 2.720 354 G HA2 0.630 4.586 3.960 -0.006 0.000 0.295 354 G HA3 0.630 4.586 3.960 -0.006 0.000 0.295 354 G C -1.647 173.531 174.900 0.463 0.000 1.437 354 G CA -0.170 45.126 45.100 0.326 0.000 0.886 354 G HN 0.191 nan 8.290 nan 0.000 0.509 355 A N 0.422 123.451 122.820 0.349 0.000 2.588 355 A HA 0.906 5.222 4.320 -0.006 0.000 0.290 355 A C -2.014 175.662 177.584 0.152 0.000 1.136 355 A CA -0.705 51.440 52.037 0.180 0.000 0.681 355 A CB 2.141 21.198 19.000 0.096 0.000 1.282 355 A HN 1.604 nan 8.150 nan 0.000 0.421 356 L N 1.342 122.569 121.223 0.007 0.000 2.614 356 L HA 0.558 4.895 4.340 -0.006 0.000 0.264 356 L C -1.284 175.631 176.870 0.073 0.000 0.940 356 L CA -0.181 54.725 54.840 0.111 0.000 0.903 356 L CB 1.217 43.428 42.059 0.253 0.000 1.306 356 L HN 0.637 nan 8.230 nan 0.000 0.410 360 G N 3.826 112.786 108.800 0.268 0.000 2.552 360 G HA2 -0.012 3.944 3.960 -0.006 0.000 0.267 360 G HA3 -0.012 3.944 3.960 -0.006 0.000 0.267 360 G C 0.530 175.499 174.900 0.116 0.000 1.174 360 G CA 0.058 45.268 45.100 0.183 0.000 0.955 360 G HN 1.935 nan 8.290 nan 0.000 0.546 361 G N -0.018 108.819 108.800 0.063 0.000 3.735 361 G HA2 0.518 4.475 3.960 -0.006 0.000 0.283 361 G HA3 0.518 4.475 3.960 -0.006 0.000 0.283 361 G C 0.369 175.279 174.900 0.016 0.000 1.007 361 G CA 0.968 46.089 45.100 0.035 0.000 0.821 361 G HN 0.627 nan 8.290 nan 0.000 0.505 362 R N 0.518 121.035 120.500 0.028 0.000 2.439 362 R HA 0.591 4.928 4.340 -0.006 0.000 0.310 362 R C -1.157 175.208 176.300 0.108 0.000 0.955 362 R CA -0.233 55.862 56.100 -0.008 0.000 0.853 362 R CB 1.509 31.684 30.300 -0.208 0.000 1.171 362 R HN 0.068 nan 8.270 nan 0.000 0.449 363 T N 3.351 117.953 114.554 0.081 0.000 2.926 363 T HA 0.599 4.945 4.350 -0.006 0.000 0.289 363 T C -1.444 173.308 174.700 0.087 0.000 1.054 363 T CA -0.673 61.494 62.100 0.111 0.000 1.015 363 T CB 1.033 69.944 68.868 0.072 0.000 1.167 363 T HN 0.502 nan 8.240 nan 0.000 0.526 364 L N 2.770 124.051 121.223 0.096 0.000 2.580 364 L HA 0.439 4.776 4.340 -0.006 0.000 0.266 364 L C -0.424 176.487 176.870 0.068 0.000 0.955 364 L CA -0.644 54.238 54.840 0.071 0.000 0.886 364 L CB 2.029 44.137 42.059 0.082 0.000 1.263 364 L HN 0.819 nan 8.230 nan 0.000 0.406 365 S N 5.051 120.778 115.700 0.046 0.000 2.485 365 S HA 0.367 4.833 4.470 -0.006 0.000 0.312 365 S C -0.163 174.469 174.600 0.053 0.000 1.102 365 S CA -0.615 57.614 58.200 0.048 0.000 1.066 365 S CB 0.411 63.617 63.200 0.010 0.000 1.102 365 S HN 0.578 nan 8.310 nan 0.000 0.519 366 I N 2.724 123.340 120.570 0.077 0.000 2.532 366 I HA 0.460 4.626 4.170 -0.006 0.000 0.292 366 I C 0.387 176.562 176.117 0.097 0.000 1.014 366 I CA -0.569 60.776 61.300 0.075 0.000 1.340 366 I CB 0.739 38.784 38.000 0.076 0.000 1.422 366 I HN 0.820 nan 8.210 nan 0.000 0.528 372 R N 0.911 121.313 120.500 -0.162 0.000 2.064 372 R HA 0.140 4.477 4.340 -0.006 0.000 0.221 372 R C 2.072 178.278 176.300 -0.158 0.000 1.136 372 R CA 1.301 57.320 56.100 -0.135 0.000 0.980 372 R CB 0.051 30.290 30.300 -0.100 0.000 0.876 372 R HN 0.069 nan 8.270 nan 0.000 0.437 373 Q N -0.261 119.415 119.800 -0.207 0.000 2.376 373 Q HA -0.172 4.164 4.340 -0.006 0.000 0.211 373 Q C 1.673 177.513 176.000 -0.267 0.000 0.986 373 Q CA 1.425 57.095 55.803 -0.223 0.000 0.886 373 Q CB 0.024 28.545 28.738 -0.362 0.000 0.927 373 Q HN 0.467 nan 8.270 nan 0.000 0.457 374 A N -0.220 122.412 122.820 -0.312 0.000 2.021 374 A HA 0.033 4.349 4.320 -0.006 0.000 0.216 374 A C 2.150 179.539 177.584 -0.325 0.000 1.163 374 A CA 1.057 52.834 52.037 -0.434 0.000 0.676 374 A CB -0.458 18.239 19.000 -0.506 0.000 0.818 374 A HN 0.459 nan 8.150 nan 0.000 0.453 375 G N 0.367 109.043 108.800 -0.206 0.000 2.408 375 G HA2 -0.233 3.724 3.960 -0.006 0.000 0.217 375 G HA3 -0.233 3.724 3.960 -0.006 0.000 0.217 375 G C 1.360 176.191 174.900 -0.115 0.000 1.150 375 G CA 1.061 46.076 45.100 -0.143 0.000 0.776 375 G HN 0.517 nan 8.290 nan 0.000 0.542 376 N N 0.359 119.010 118.700 -0.083 0.000 2.135 376 N HA -0.067 4.669 4.740 -0.006 0.000 0.186 376 N C 2.328 177.837 175.510 -0.001 0.000 1.027 376 N CA 1.001 54.052 53.050 0.001 0.000 0.849 376 N CB -0.590 37.969 38.487 0.120 0.000 1.002 376 N HN 0.175 nan 8.380 nan 0.000 0.425 377 V N 1.330 121.193 119.914 -0.085 0.000 2.427 377 V HA -0.108 4.009 4.120 -0.006 0.000 0.248 377 V C 2.143 178.066 176.094 -0.285 0.000 1.051 377 V CA 0.823 63.026 62.300 -0.163 0.000 1.048 377 V CB -0.428 31.183 31.823 -0.352 0.000 0.666 377 V HN 0.170 nan 8.190 nan 0.000 0.456 378 L N -0.087 120.947 121.223 -0.315 0.000 2.549 378 L HA -0.108 4.228 4.340 -0.006 0.000 0.229 378 L C 2.123 178.869 176.870 -0.207 0.000 1.158 378 L CA 1.695 56.334 54.840 -0.337 0.000 0.842 378 L CB -0.473 41.391 42.059 -0.324 0.000 0.952 378 L HN 0.413 nan 8.230 nan 0.000 0.452 379 Q N -1.446 118.267 119.800 -0.146 0.000 2.373 379 Q HA -0.099 4.237 4.340 -0.006 0.000 0.210 379 Q C 2.182 178.139 176.000 -0.071 0.000 0.913 379 Q CA 0.203 55.955 55.803 -0.086 0.000 0.911 379 Q CB 0.225 28.930 28.738 -0.055 0.000 1.040 379 Q HN 0.415 nan 8.270 nan 0.000 0.521 380 R N 0.356 120.810 120.500 -0.077 0.000 2.062 380 R HA 0.005 4.341 4.340 -0.006 0.000 0.231 380 R C 1.712 177.958 176.300 -0.091 0.000 1.136 380 R CA 1.268 57.333 56.100 -0.058 0.000 0.948 380 R CB -0.241 30.053 30.300 -0.010 0.000 0.845 380 R HN 0.277 nan 8.270 nan 0.000 0.430 381 L N 1.385 122.502 121.223 -0.177 0.000 2.711 381 L HA -0.028 4.308 4.340 -0.006 0.000 0.242 381 L C 1.604 178.439 176.870 -0.058 0.000 1.153 381 L CA 0.106 54.871 54.840 -0.126 0.000 0.898 381 L CB -0.252 41.684 42.059 -0.205 0.000 1.044 381 L HN 0.323 nan 8.230 nan 0.000 0.437 382 Q N 0.359 120.124 119.800 -0.058 0.000 2.167 382 Q HA -0.101 4.235 4.340 -0.006 0.000 0.202 382 Q C 1.782 177.779 176.000 -0.005 0.000 0.970 382 Q CA 1.181 56.968 55.803 -0.027 0.000 0.855 382 Q CB -0.016 28.703 28.738 -0.032 0.000 0.911 382 Q HN 0.510 nan 8.270 nan 0.000 0.438 383 R N 0.550 121.047 120.500 -0.005 0.000 2.320 383 R HA 0.026 4.363 4.340 -0.006 0.000 0.211 383 R C -0.064 176.249 176.300 0.022 0.000 0.931 383 R CA 0.162 56.267 56.100 0.008 0.000 1.071 383 R CB 0.432 30.735 30.300 0.005 0.000 1.025 383 R HN -0.022 nan 8.270 nan 0.000 0.495 384 D N -0.097 120.319 120.400 0.027 0.000 2.714 384 D HA 0.147 4.784 4.640 -0.006 0.000 0.264 384 D C -2.296 174.043 176.300 0.065 0.000 1.231 384 D CA -1.768 52.262 54.000 0.051 0.000 0.802 384 D CB 1.357 42.198 40.800 0.069 0.000 1.319 384 D HN -0.111 nan 8.370 nan 0.000 0.528 385 P HA 0.146 nan 4.420 nan 0.000 0.245 385 P C 0.259 177.614 177.300 0.091 0.000 1.212 385 P CA 0.457 63.602 63.100 0.075 0.000 0.774 385 P CB 0.423 32.155 31.700 0.052 0.000 0.999 386 E N -0.759 119.493 120.200 0.087 0.000 2.789 386 E HA 0.154 4.501 4.350 -0.006 0.000 0.208 386 E C 0.062 176.720 176.600 0.096 0.000 0.988 386 E CA -0.331 56.116 56.400 0.078 0.000 1.092 386 E CB 0.411 30.142 29.700 0.053 0.000 1.066 386 E HN -0.020 nan 8.360 nan 0.000 0.465 387 R N 0.792 121.380 120.500 0.148 0.000 2.297 387 R HA 0.156 4.492 4.340 -0.006 0.000 0.308 387 R C -0.314 176.129 176.300 0.238 0.000 1.029 387 R CA -0.075 56.137 56.100 0.187 0.000 0.929 387 R CB 1.076 31.509 30.300 0.221 0.000 1.046 387 R HN 0.081 nan 8.270 nan 0.000 0.461 388 D N 1.489 121.968 120.400 0.132 0.000 2.398 388 D HA 0.268 4.905 4.640 -0.006 0.000 0.210 388 D C 0.137 176.487 176.300 0.083 0.000 1.094 388 D CA 0.404 54.398 54.000 -0.010 0.000 0.839 388 D CB 0.652 41.397 40.800 -0.091 0.000 0.963 388 D HN 0.363 nan 8.370 nan 0.000 0.506 389 I N -0.209 120.489 120.570 0.215 0.000 2.769 389 I HA 0.384 4.550 4.170 -0.006 0.000 0.298 389 I C -1.501 174.821 176.117 0.342 0.000 1.128 389 I CA -1.226 60.214 61.300 0.233 0.000 1.031 389 I CB 2.602 40.684 38.000 0.136 0.000 1.235 389 I HN -0.260 nan 8.210 nan 0.000 0.423 390 Y N 5.286 125.675 120.300 0.149 0.000 2.544 390 Y HA 0.575 5.121 4.550 -0.007 0.000 0.342 390 Y C -1.309 174.631 175.900 0.067 0.000 1.062 390 Y CA -0.517 57.639 58.100 0.092 0.000 1.023 390 Y CB 1.666 40.145 38.460 0.032 0.000 1.308 390 Y HN 0.614 nan 8.280 nan 0.000 0.457 391 H N 2.125 120.743 119.070 -0.753 0.000 3.085 391 H HA 0.663 5.216 4.556 -0.006 0.000 0.356 391 H C -1.895 173.107 175.328 -0.544 0.000 1.178 391 H CA -0.721 54.976 56.048 -0.586 0.000 1.214 391 H CB 1.977 31.513 29.762 -0.376 0.000 1.881 391 H HN 0.732 nan 8.280 nan 0.000 0.538 392 T N 2.147 116.587 114.554 -0.188 0.000 2.831 392 T HA 0.324 4.671 4.350 -0.006 0.000 0.333 392 T C -2.260 172.649 174.700 0.349 0.000 1.684 392 T CA -0.668 61.454 62.100 0.037 0.000 1.049 392 T CB 1.568 70.439 68.868 0.005 0.000 1.518 392 T HN 0.845 nan 8.240 nan 0.000 0.491 393 D N 2.022 122.576 120.400 0.256 0.000 2.602 393 D HA 0.376 5.012 4.640 -0.006 0.000 0.236 393 D C -0.398 175.940 176.300 0.064 0.000 1.209 393 D CA -0.691 53.421 54.000 0.186 0.000 0.831 393 D CB 1.292 42.146 40.800 0.090 0.000 1.478 393 D HN 0.375 nan 8.370 nan 0.000 0.438 394 N N -0.268 118.430 118.700 -0.003 0.000 2.187 394 N HA 0.037 4.773 4.740 -0.006 0.000 0.212 394 N C 0.360 175.975 175.510 0.174 0.000 1.152 394 N CA -0.417 52.619 53.050 -0.022 0.000 0.872 394 N CB 0.414 38.764 38.487 -0.229 0.000 1.025 394 N HN 0.482 nan 8.380 nan 0.000 0.514 407 D N -1.122 119.296 120.400 0.031 0.000 2.407 407 D HA 0.267 4.903 4.640 -0.006 0.000 0.208 407 D C 0.336 176.655 176.300 0.031 0.000 1.083 407 D CA -0.021 53.992 54.000 0.022 0.000 0.844 407 D CB 0.155 40.944 40.800 -0.019 0.000 0.967 407 D HN 0.361 nan 8.370 nan 0.000 0.506 408 C N 0.496 119.790 119.300 -0.011 0.000 2.441 408 C HA 0.400 4.856 4.460 -0.006 0.000 0.318 408 C C 1.513 176.554 174.990 0.084 0.000 1.222 408 C CA -0.725 58.318 59.018 0.042 0.000 1.474 408 C CB 1.029 28.748 27.740 -0.035 0.000 2.125 408 C HN 0.518 nan 8.230 nan 0.000 0.479 409 C N 1.498 120.914 119.300 0.193 0.000 2.518 409 C HA 0.243 4.699 4.460 -0.006 0.000 0.283 409 C C 1.569 176.749 174.990 0.316 0.000 1.351 409 C CA 0.036 59.218 59.018 0.272 0.000 1.745 409 C CB -1.354 26.513 27.740 0.213 0.000 2.107 409 C HN 1.023 nan 8.230 nan 0.000 0.502 410 G N 1.080 110.092 108.800 0.353 0.000 2.361 410 G HA2 0.478 4.434 3.960 -0.006 0.000 0.260 410 G HA3 0.478 4.434 3.960 -0.006 0.000 0.260 410 G C -0.859 174.427 174.900 0.644 0.000 1.261 410 G CA 0.332 45.823 45.100 0.652 0.000 0.897 410 G HN 0.288 nan 8.290 nan 0.000 0.499 411 V N 4.236 124.412 119.914 0.437 0.000 2.577 411 V HA 0.350 4.466 4.120 -0.006 0.000 0.294 411 V C -0.281 175.713 176.094 -0.167 0.000 1.052 411 V CA -0.594 61.770 62.300 0.108 0.000 0.891 411 V CB 1.578 33.427 31.823 0.043 0.000 1.017 411 V HN 0.703 nan 8.190 nan 0.000 0.436 412 L N 4.078 125.086 121.223 -0.359 0.000 2.341 412 L HA 0.960 5.296 4.340 -0.006 0.000 0.278 412 L C -0.055 176.796 176.870 -0.032 0.000 1.005 412 L CA -0.414 54.232 54.840 -0.324 0.000 0.818 412 L CB 1.843 43.539 42.059 -0.606 0.000 1.259 412 L HN 0.782 nan 8.230 nan 0.000 0.418 413 A N 6.431 129.288 122.820 0.060 0.000 2.375 413 A HA 0.695 5.011 4.320 -0.006 0.000 0.295 413 A C -0.930 176.728 177.584 0.124 0.000 1.066 413 A CA -0.522 51.463 52.037 -0.086 0.000 0.722 413 A CB 1.072 20.045 19.000 -0.044 0.000 1.206 413 A HN 0.678 nan 8.150 nan 0.000 0.435 414 I N -0.433 120.149 120.570 0.019 0.000 2.530 414 I HA 0.819 4.985 4.170 -0.006 0.000 0.297 414 I C -0.297 175.644 176.117 -0.293 0.000 1.011 414 I CA -0.946 60.370 61.300 0.027 0.000 1.107 414 I CB 1.937 39.973 38.000 0.061 0.000 1.285 414 I HN 0.717 nan 8.210 nan 0.000 0.436 415 R N 5.271 125.342 120.500 -0.715 0.000 2.514 415 R HA 0.729 5.065 4.340 -0.006 0.000 0.301 415 R C -1.587 174.279 176.300 -0.722 0.000 0.962 415 R CA -0.391 54.801 56.100 -1.513 0.000 0.882 415 R CB 1.456 30.516 30.300 -2.067 0.000 1.143 415 R HN 0.783 nan 8.270 nan 0.000 0.452 423 W N 1.058 121.749 121.300 -1.015 0.000 2.975 423 W HA 0.824 5.481 4.660 -0.005 0.000 0.342 423 W C -0.084 176.117 176.519 -0.529 0.000 1.168 423 W CA -0.994 55.872 57.345 -0.798 0.000 1.141 423 W CB 2.126 31.340 29.460 -0.411 0.000 1.445 423 W HN 0.309 nan 8.180 nan 0.000 0.560 424 I N 1.442 121.777 120.570 -0.391 0.000 2.730 424 I HA 0.526 4.693 4.170 -0.006 0.000 0.298 424 I C -1.395 174.106 176.117 -1.026 0.000 1.089 424 I CA -1.061 59.966 61.300 -0.454 0.000 1.041 424 I CB 2.009 39.834 38.000 -0.292 0.000 1.235 424 I HN 0.162 nan 8.210 nan 0.000 0.423 425 F N 2.848 122.406 119.950 -0.653 0.000 2.581 425 F HA 0.458 4.982 4.527 -0.006 0.000 0.311 425 F C -1.320 173.819 175.800 -1.102 0.000 1.113 425 F CA -0.534 56.991 58.000 -0.791 0.000 0.935 425 F CB 1.633 40.278 39.000 -0.592 0.000 1.232 425 F HN 0.263 nan 8.300 nan 0.000 0.445 426 W N 2.901 123.885 121.300 -0.526 0.000 2.702 426 W HA 0.771 5.426 4.660 -0.007 0.000 0.331 426 W C -1.569 174.637 176.519 -0.522 0.000 1.049 426 W CA -1.071 56.024 57.345 -0.416 0.000 1.230 426 W CB 1.048 30.408 29.460 -0.167 0.000 1.408 426 W HN 0.177 nan 8.180 nan 0.000 0.492 427 F N 1.505 121.693 119.950 0.398 0.000 2.561 427 F HA 0.726 5.250 4.527 -0.006 0.000 0.321 427 F C 0.338 176.330 175.800 0.319 0.000 1.065 427 F CA -1.494 56.709 58.000 0.339 0.000 0.934 427 F CB 1.963 41.052 39.000 0.149 0.000 1.215 427 F HN 0.064 nan 8.300 nan 0.000 0.471 428 R N 0.748 121.514 120.500 0.442 0.000 2.507 428 R HA 0.262 4.598 4.340 -0.006 0.000 0.298 428 R C -1.292 175.037 176.300 0.048 0.000 1.087 428 R CA -0.927 55.208 56.100 0.058 0.000 0.917 428 R CB 1.277 31.470 30.300 -0.179 0.000 1.173 428 R HN 0.739 nan 8.270 nan 0.000 0.472 429 H N -0.220 118.926 119.070 0.127 0.000 2.607 429 H HA 0.216 4.769 4.556 -0.005 0.000 0.367 429 H C -0.660 174.700 175.328 0.053 0.000 1.181 429 H CA -0.785 55.312 56.048 0.082 0.000 1.402 429 H CB 0.785 30.583 29.762 0.060 0.000 1.474 429 H HN 0.445 nan 8.280 nan 0.000 0.596 430 E N 1.179 121.543 120.200 0.273 0.000 2.969 430 E HA 0.103 4.450 4.350 -0.006 0.000 0.213 430 E C -0.217 176.478 176.600 0.158 0.000 1.107 430 E CA -0.171 56.334 56.400 0.174 0.000 1.007 430 E CB 0.579 30.335 29.700 0.094 0.000 1.326 430 E HN 0.765 nan 8.360 nan 0.000 0.432 431 E N 1.285 121.608 120.200 0.203 0.000 2.465 431 E HA -0.019 4.328 4.350 -0.006 0.000 0.191 431 E C 0.340 177.025 176.600 0.141 0.000 1.053 431 E CA -0.189 56.279 56.400 0.114 0.000 0.869 431 E CB 0.400 30.125 29.700 0.042 0.000 0.977 431 E HN 0.401 nan 8.360 nan 0.000 0.483 432 V N 0.576 120.582 119.914 0.154 0.000 2.780 432 V HA -0.018 4.098 4.120 -0.006 0.000 0.301 432 V C 0.087 176.343 176.094 0.270 0.000 1.168 432 V CA 0.441 62.843 62.300 0.170 0.000 1.305 432 V CB -0.337 31.566 31.823 0.134 0.000 0.858 432 V HN 0.615 nan 8.190 nan 0.000 0.502 449 P HA 0.721 nan 4.420 nan 0.000 0.285 449 P C 0.031 177.323 177.300 -0.012 0.000 1.280 449 P CA -0.236 62.854 63.100 -0.017 0.000 0.862 449 P CB 2.172 33.856 31.700 -0.027 0.000 1.153 450 S N -1.477 114.215 115.700 -0.012 0.000 2.670 450 S HA 0.353 4.820 4.470 -0.006 0.000 0.241 450 S C 0.734 175.333 174.600 -0.003 0.000 1.077 450 S CA 0.396 58.593 58.200 -0.005 0.000 0.899 450 S CB -0.482 62.718 63.200 -0.000 0.000 0.835 450 S HN 0.714 nan 8.310 nan 0.000 0.481 451 G N 1.535 110.331 108.800 -0.007 0.000 2.471 451 G HA2 0.544 4.500 3.960 -0.006 0.000 0.332 451 G HA3 0.544 4.500 3.960 -0.006 0.000 0.332 451 G C -1.484 173.411 174.900 -0.007 0.000 1.176 451 G CA -1.230 43.870 45.100 -0.000 0.000 0.949 451 G HN 0.209 nan 8.290 nan 0.000 0.488 452 P HA -0.149 nan 4.420 nan 0.000 0.215 452 P C 1.427 178.724 177.300 -0.006 0.000 1.157 452 P CA 0.988 64.089 63.100 0.000 0.000 0.868 452 P CB 0.326 32.032 31.700 0.010 0.000 0.788 453 R N -0.004 120.497 120.500 0.002 0.000 2.282 453 R HA 0.132 4.468 4.340 -0.006 0.000 0.195 453 R C 0.865 177.138 176.300 -0.045 0.000 0.909 453 R CA 0.014 56.118 56.100 0.007 0.000 1.039 453 R CB -0.205 30.129 30.300 0.055 0.000 1.015 453 R HN 0.140 nan 8.270 nan 0.000 0.513 454 L N 3.715 124.875 121.223 -0.104 0.000 2.451 454 L HA 0.211 4.547 4.340 -0.006 0.000 0.272 454 L C -0.175 176.367 176.870 -0.547 0.000 1.258 454 L CA -0.119 54.524 54.840 -0.329 0.000 1.132 454 L CB -0.234 41.699 42.059 -0.211 0.000 1.361 454 L HN 0.218 nan 8.230 nan 0.000 0.438 455 T N -1.486 112.784 114.554 -0.473 0.000 2.769 455 T HA 0.425 4.772 4.350 -0.006 0.000 0.306 455 T C -2.572 172.126 174.700 -0.004 0.000 1.400 455 T CA -1.349 60.579 62.100 -0.286 0.000 1.007 455 T CB 2.349 71.155 68.868 -0.103 0.000 1.392 455 T HN -0.101 nan 8.240 nan 0.000 0.500 456 P HA 0.065 nan 4.420 nan 0.000 0.210 456 P C 1.442 178.816 177.300 0.123 0.000 1.191 456 P CA 1.007 64.326 63.100 0.366 0.000 0.917 456 P CB 0.008 31.956 31.700 0.413 0.000 0.778 457 R N -0.409 120.146 120.500 0.092 0.000 2.328 457 R HA -0.009 4.327 4.340 -0.006 0.000 0.207 457 R C 2.060 178.397 176.300 0.061 0.000 1.056 457 R CA 1.237 57.392 56.100 0.091 0.000 1.016 457 R CB -0.893 29.449 30.300 0.070 0.000 0.872 457 R HN 0.203 nan 8.270 nan 0.000 0.471 458 G N -1.490 107.332 108.800 0.038 0.000 2.459 458 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.213 458 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.213 458 G C 1.223 176.152 174.900 0.048 0.000 1.155 458 G CA 0.154 45.264 45.100 0.017 0.000 0.811 458 G HN 0.264 nan 8.290 nan 0.000 0.534 459 S N 0.128 115.885 115.700 0.095 0.000 2.453 459 S HA 0.010 4.476 4.470 -0.006 0.000 0.231 459 S C 1.696 176.371 174.600 0.126 0.000 1.005 459 S CA 0.301 58.604 58.200 0.171 0.000 0.949 459 S CB -0.212 63.252 63.200 0.439 0.000 0.774 459 S HN 0.393 nan 8.310 nan 0.000 0.510 460 F N 2.474 122.317 119.950 -0.177 0.000 2.456 460 F HA 0.174 4.700 4.527 -0.002 0.000 0.298 460 F C 1.815 177.657 175.800 0.070 0.000 1.104 460 F CA 0.698 58.621 58.000 -0.129 0.000 1.435 460 F CB -0.288 38.544 39.000 -0.281 0.000 1.078 460 F HN 0.152 nan 8.300 nan 0.000 0.546 461 E N -0.157 119.946 120.200 -0.163 0.000 2.208 461 E HA -0.006 4.340 4.350 -0.006 0.000 0.193 461 E C 1.791 178.331 176.600 -0.101 0.000 0.988 461 E CA 0.783 57.044 56.400 -0.231 0.000 0.828 461 E CB -0.104 29.517 29.700 -0.130 0.000 0.763 461 E HN 0.399 nan 8.360 nan 0.000 0.478 462 A N -0.459 122.369 122.820 0.014 0.000 2.387 462 A HA 0.029 4.345 4.320 -0.006 0.000 0.234 462 A C 1.301 178.956 177.584 0.119 0.000 1.253 462 A CA -0.429 51.638 52.037 0.049 0.000 0.894 462 A CB -0.313 18.730 19.000 0.071 0.000 0.963 462 A HN 0.374 nan 8.150 nan 0.000 0.508 463 W N 0.690 121.963 121.300 -0.046 0.000 2.526 463 W HA 0.054 4.710 4.660 -0.007 0.000 0.294 463 W C 1.638 178.122 176.519 -0.059 0.000 1.181 463 W CA 1.640 58.981 57.345 -0.006 0.000 1.373 463 W CB 0.082 29.595 29.460 0.089 0.000 1.112 463 W HN 0.389 nan 8.180 nan 0.000 0.545 464 E N 0.257 120.413 120.200 -0.073 0.000 2.070 464 E HA -0.323 4.023 4.350 -0.006 0.000 0.197 464 E C 1.847 178.288 176.600 -0.266 0.000 1.004 464 E CA 1.823 58.052 56.400 -0.284 0.000 0.805 464 E CB -0.469 29.082 29.700 -0.249 0.000 0.744 464 E HN 0.415 nan 8.360 nan 0.000 0.451 465 E N 0.354 120.454 120.200 -0.168 0.000 2.333 465 E HA -0.131 4.216 4.350 -0.006 0.000 0.198 465 E C 1.616 178.148 176.600 -0.113 0.000 1.007 465 E CA 0.415 56.746 56.400 -0.115 0.000 0.845 465 E CB 0.324 29.981 29.700 -0.071 0.000 0.766 465 E HN 0.035 nan 8.360 nan 0.000 0.507 466 V N 0.132 119.933 119.914 -0.188 0.000 3.506 466 V HA -0.080 4.037 4.120 -0.006 0.000 0.263 466 V C 1.774 177.688 176.094 -0.301 0.000 1.203 466 V CA 1.032 63.207 62.300 -0.208 0.000 1.133 466 V CB 1.035 32.720 31.823 -0.230 0.000 0.802 466 V HN 0.364 nan 8.190 nan 0.000 0.459 467 V N -1.837 117.862 119.914 -0.359 0.000 3.643 467 V HA 0.239 4.355 4.120 -0.006 0.000 0.280 467 V C 2.066 178.103 176.094 -0.095 0.000 1.351 467 V CA 0.776 62.872 62.300 -0.340 0.000 1.073 467 V CB -0.290 31.117 31.823 -0.693 0.000 0.863 467 V HN 0.394 nan 8.190 nan 0.000 0.436 468 R N 1.532 122.002 120.500 -0.051 0.000 2.115 468 R HA 0.087 4.423 4.340 -0.006 0.000 0.226 468 R C 2.105 178.432 176.300 0.044 0.000 1.100 468 R CA 1.543 57.642 56.100 -0.003 0.000 0.980 468 R CB -0.698 29.593 30.300 -0.015 0.000 0.875 468 R HN 0.556 nan 8.270 nan 0.000 0.445 469 G N -0.307 108.546 108.800 0.088 0.000 2.625 469 G HA2 -0.140 3.817 3.960 -0.006 0.000 0.214 469 G HA3 -0.140 3.817 3.960 -0.006 0.000 0.214 469 G C -0.015 174.770 174.900 -0.192 0.000 1.132 469 G CA 0.269 45.333 45.100 -0.061 0.000 0.782 469 G HN 0.380 nan 8.290 nan 0.000 0.538 470 H N 0.835 119.887 119.070 -0.029 0.000 2.638 470 H HA 0.292 4.844 4.556 -0.007 0.000 0.303 470 H C -0.014 175.281 175.328 -0.055 0.000 1.034 470 H CA -0.517 55.508 56.048 -0.037 0.000 1.225 470 H CB 1.252 30.970 29.762 -0.075 0.000 1.394 470 H HN 0.232 nan 8.280 nan 0.000 0.477 471 S N 2.555 118.262 115.700 0.013 0.000 2.584 471 S HA 0.037 4.503 4.470 -0.006 0.000 0.270 471 S C 0.522 175.019 174.600 -0.171 0.000 1.346 471 S CA -0.787 57.368 58.200 -0.074 0.000 1.018 471 S CB 0.596 63.726 63.200 -0.116 0.000 0.899 471 S HN 0.503 nan 8.310 nan 0.000 0.542 472 T N 4.167 118.594 114.554 -0.212 0.000 2.704 472 T HA 0.134 4.481 4.350 -0.006 0.000 0.271 472 T C -2.206 172.222 174.700 -0.454 0.000 1.000 472 T CA -0.217 61.735 62.100 -0.247 0.000 1.216 472 T CB -0.822 67.914 68.868 -0.220 0.000 0.961 472 T HN 0.519 nan 8.240 nan 0.000 0.515 473 P HA 0.020 nan 4.420 nan 0.000 0.268 473 P C -0.511 176.566 177.300 -0.371 0.000 1.208 473 P CA -0.353 62.554 63.100 -0.322 0.000 0.777 473 P CB 0.363 32.008 31.700 -0.092 0.000 0.875 474 W N 1.965 123.253 121.300 -0.020 0.000 2.585 474 W HA 0.183 4.839 4.660 -0.006 0.000 0.337 474 W C 0.427 176.883 176.519 -0.105 0.000 1.226 474 W CA -0.112 57.197 57.345 -0.061 0.000 1.463 474 W CB -0.632 28.798 29.460 -0.049 0.000 1.458 474 W HN 0.241 nan 8.180 nan 0.000 0.458 475 S N 1.888 117.613 115.700 0.042 0.000 2.553 475 S HA -0.196 4.270 4.470 -0.006 0.000 0.293 475 S C 1.497 176.074 174.600 -0.039 0.000 1.296 475 S CA -0.151 58.023 58.200 -0.045 0.000 1.046 475 S CB 0.686 63.857 63.200 -0.049 0.000 0.810 475 S HN 0.671 nan 8.310 nan 0.000 0.505 476 E N 2.176 122.323 120.200 -0.089 0.000 2.233 476 E HA -0.200 4.146 4.350 -0.006 0.000 0.199 476 E C 1.551 178.118 176.600 -0.056 0.000 1.004 476 E CA 2.143 58.501 56.400 -0.071 0.000 0.819 476 E CB -0.281 29.378 29.700 -0.068 0.000 0.738 476 E HN 0.751 nan 8.360 nan 0.000 0.478 477 T N 0.111 114.634 114.554 -0.053 0.000 2.942 477 T HA -0.054 4.292 4.350 -0.006 0.000 0.265 477 T C 0.936 175.592 174.700 -0.073 0.000 1.062 477 T CA 0.999 63.066 62.100 -0.054 0.000 1.139 477 T CB -0.122 68.718 68.868 -0.047 0.000 0.883 477 T HN 0.188 nan 8.240 nan 0.000 0.468 478 D N 1.115 121.479 120.400 -0.060 0.000 2.234 478 D HA 0.054 4.691 4.640 -0.006 0.000 0.205 478 D C 1.893 178.109 176.300 -0.139 0.000 0.962 478 D CA 0.324 54.269 54.000 -0.092 0.000 0.855 478 D CB -0.027 40.794 40.800 0.036 0.000 0.951 478 D HN 0.213 nan 8.370 nan 0.000 0.500 479 L N 0.682 121.846 121.223 -0.099 0.000 2.240 479 L HA 0.062 4.399 4.340 -0.006 0.000 0.211 479 L C 2.273 179.081 176.870 -0.103 0.000 1.106 479 L CA 0.706 55.472 54.840 -0.123 0.000 0.793 479 L CB -1.048 40.931 42.059 -0.132 0.000 0.927 479 L HN -0.065 nan 8.230 nan 0.000 0.446 480 A N -0.589 122.178 122.820 -0.089 0.000 2.016 480 A HA -0.041 4.276 4.320 -0.006 0.000 0.217 480 A C 2.266 179.802 177.584 -0.079 0.000 1.162 480 A CA 0.697 52.692 52.037 -0.071 0.000 0.662 480 A CB -0.143 18.822 19.000 -0.058 0.000 0.812 480 A HN 0.296 nan 8.150 nan 0.000 0.450 481 I N -0.522 119.978 120.570 -0.116 0.000 2.235 481 I HA -0.148 4.019 4.170 -0.006 0.000 0.241 481 I C 2.944 178.981 176.117 -0.132 0.000 1.085 481 I CA 0.914 62.130 61.300 -0.140 0.000 1.378 481 I CB -0.290 37.583 38.000 -0.211 0.000 1.076 481 I HN 0.300 nan 8.210 nan 0.000 0.415 482 A N 0.175 122.884 122.820 -0.184 0.000 1.940 482 A HA -0.236 4.080 4.320 -0.006 0.000 0.219 482 A C 2.275 179.877 177.584 0.031 0.000 1.176 482 A CA 1.681 53.698 52.037 -0.033 0.000 0.631 482 A CB -0.464 18.515 19.000 -0.035 0.000 0.814 482 A HN 0.352 nan 8.150 nan 0.000 0.446 483 E N 0.181 120.367 120.200 -0.023 0.000 2.006 483 E HA -0.149 4.197 4.350 -0.006 0.000 0.192 483 E C 1.973 178.566 176.600 -0.012 0.000 0.993 483 E CA 0.988 57.380 56.400 -0.014 0.000 0.808 483 E CB -0.294 29.387 29.700 -0.032 0.000 0.764 483 E HN 0.324 nan 8.360 nan 0.000 0.449 484 K N 0.886 121.272 120.400 -0.024 0.000 2.113 484 K HA -0.151 4.165 4.320 -0.006 0.000 0.208 484 K C 2.247 178.838 176.600 -0.015 0.000 1.047 484 K CA 0.541 56.814 56.287 -0.023 0.000 0.928 484 K CB -0.692 31.790 32.500 -0.030 0.000 0.716 484 K HN 0.235 nan 8.250 nan 0.000 0.446 485 L N 0.795 122.020 121.223 0.005 0.000 2.005 485 L HA -0.208 4.129 4.340 -0.006 0.000 0.207 485 L C 2.791 179.665 176.870 0.006 0.000 1.072 485 L CA 1.429 56.284 54.840 0.025 0.000 0.744 485 L CB -0.370 41.756 42.059 0.112 0.000 0.895 485 L HN 0.230 nan 8.230 nan 0.000 0.433 486 R N -0.035 120.487 120.500 0.037 0.000 2.122 486 R HA -0.268 4.069 4.340 -0.006 0.000 0.236 486 R C 2.285 178.572 176.300 -0.022 0.000 1.129 486 R CA 2.159 58.274 56.100 0.025 0.000 0.925 486 R CB -0.595 29.720 30.300 0.024 0.000 0.850 486 R HN 0.237 nan 8.270 nan 0.000 0.431 487 L N 1.792 123.001 121.223 -0.024 0.000 2.021 487 L HA -0.232 4.104 4.340 -0.006 0.000 0.215 487 L C 2.130 178.970 176.870 -0.051 0.000 1.074 487 L CA 2.068 56.887 54.840 -0.035 0.000 0.760 487 L CB -0.945 41.097 42.059 -0.028 0.000 0.889 487 L HN 0.302 nan 8.230 nan 0.000 0.433 488 D N -1.000 119.368 120.400 -0.053 0.000 2.133 488 D HA -0.127 4.510 4.640 -0.006 0.000 0.195 488 D C 1.053 177.291 176.300 -0.105 0.000 0.997 488 D CA 0.893 54.853 54.000 -0.067 0.000 0.840 488 D CB -0.177 40.588 40.800 -0.058 0.000 0.947 488 D HN 0.023 nan 8.370 nan 0.000 0.452 492 L N 2.859 124.024 121.223 -0.096 0.000 2.562 492 L HA 0.080 4.416 4.340 -0.006 0.000 0.271 492 L C 0.913 177.744 176.870 -0.065 0.000 1.167 492 L CA 0.551 55.336 54.840 -0.091 0.000 0.917 492 L CB 0.183 42.161 42.059 -0.135 0.000 1.187 492 L HN 0.611 nan 8.230 nan 0.000 0.482 493 C N 2.698 121.971 119.300 -0.045 0.000 2.611 493 C HA 0.599 5.055 4.460 -0.006 0.000 0.282 493 C C 0.716 175.695 174.990 -0.019 0.000 1.321 493 C CA -0.491 58.511 59.018 -0.027 0.000 1.747 493 C CB -1.004 26.723 27.740 -0.021 0.000 2.124 493 C HN 0.811 nan 8.230 nan 0.000 0.531 494 L N 0.000 121.209 121.223 -0.023 0.000 2.949 494 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 494 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 494 L CB 0.000 42.060 42.059 0.003 0.000 0.961 494 L HN 0.000 nan 8.230 nan 0.000 0.502