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 2xij_1_A DATA FIRST_RESID 36 DATA SEQUENCE QQPLHPEWAA LAKKQLKGKN PEDLIWHTPE GISIKPLYSK RDTMDLPEEL DATA SEQUENCE PGVKPFTRGP YPTMYTFRPW TIRQYAGFST VEESNKFYKD NIKAGQQGLS DATA SEQUENCE VAFDLATHRG YDSDNPRVRG DVGMAGVAID TVEDTKILFD GIPLEKMSVS DATA SEQUENCE MTMNGAVIPV LANFIVTGEE QGVPKEKLTG TIQNDILKEF MVRNTYIFPP DATA SEQUENCE EPSMKIIADI FEYTAKHMPK FNSISISGYH MQEAGADAIL ELAYTLADGL DATA SEQUENCE EYSRTGLQAG LTIDEFAPRL SFFWGIGMNF YMEIAKMRAG RRLWAHLIEK DATA SEQUENCE MFQPKNSKSL LLRAHCQTSG WSLTEQDPYN NIVRTAIEAM AAVFGGTQSL DATA SEQUENCE HTNSFDEALG LPTVKSARIA RNTQIIIQEE SGIPKVADPW GGSYMMECLT DATA SEQUENCE NDVYDAALKL INEIEEMGGM AKAVAEGIPK LRIEECAARR QARIDSGSEV DATA SEQUENCE IVGVNKYQLE KEDTVEVLAI DNTSVRNRQI EKLKKIKSSR DQALAERCLA DATA SEQUENCE ALTECAASGD GNILALAVDA SRARCTVGEI TDALKKVFGE HKANDRMVSG DATA SEQUENCE AYRQEFGESK EITSAIKRVH KFMEREGRRP RLLVAKMGQD GHDRGAKVIA DATA SEQUENCE TGFADLGFDV DIGPLFQTPR EVAQQAVDAD VHAVGVSTLA AGHKTLVPEL DATA SEQUENCE IKELNSLGRP DILVMCGGVI PPQDYEFLFE VGVSNVFGPG TRIPKAAVQV DATA SEQUENCE LDDIEKCLEK 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 175.996 176.000 -0.007 0.000 1.003 36 Q CA 0.000 55.808 55.803 0.009 0.000 1.022 36 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 37 Q N 2.427 122.219 119.800 -0.013 0.000 2.392 37 Q HA 0.392 4.747 4.340 0.025 0.000 0.262 37 Q C -1.804 174.166 176.000 -0.050 0.000 1.003 37 Q CA -1.106 54.677 55.803 -0.032 0.000 0.888 37 Q CB 1.082 29.798 28.738 -0.038 0.000 1.260 37 Q HN 0.700 nan 8.270 nan 0.000 0.435 38 P HA 0.105 nan 4.420 nan 0.000 0.275 38 P C -0.138 177.134 177.300 -0.046 0.000 1.266 38 P CA -0.383 62.696 63.100 -0.035 0.000 0.793 38 P CB 0.586 32.274 31.700 -0.021 0.000 1.074 39 L N 0.788 122.002 121.223 -0.014 0.000 2.559 39 L HA -0.038 4.317 4.340 0.025 0.000 0.282 39 L C 1.591 178.517 176.870 0.093 0.000 1.232 39 L CA 0.170 55.031 54.840 0.035 0.000 0.885 39 L CB -0.564 41.589 42.059 0.156 0.000 1.131 39 L HN 0.509 nan 8.230 nan 0.000 0.498 40 H N 5.968 125.047 119.070 0.015 0.000 3.187 40 H HA -0.021 4.551 4.556 0.026 0.000 0.286 40 H C -1.739 173.671 175.328 0.136 0.000 0.944 40 H CA -1.152 54.930 56.048 0.057 0.000 1.429 40 H CB 1.090 30.880 29.762 0.047 0.000 1.483 40 H HN 0.373 nan 8.280 nan 0.000 0.555 41 P HA -0.131 nan 4.420 nan 0.000 0.217 41 P C 1.390 178.786 177.300 0.161 0.000 1.150 41 P CA 1.074 64.218 63.100 0.073 0.000 0.832 41 P CB 0.240 31.924 31.700 -0.027 0.000 0.787 42 E N -1.453 118.913 120.200 0.276 0.000 2.077 42 E HA -0.205 4.160 4.350 0.025 0.000 0.193 42 E C 1.851 178.595 176.600 0.240 0.000 0.989 42 E CA 0.876 57.435 56.400 0.265 0.000 0.800 42 E CB -0.499 29.403 29.700 0.337 0.000 0.746 42 E HN 0.190 nan 8.360 nan 0.000 0.452 43 W N 1.093 122.513 121.300 0.200 0.000 2.379 43 W HA -0.106 4.569 4.660 0.025 0.000 0.307 43 W C 2.224 178.762 176.519 0.033 0.000 1.200 43 W CA 2.230 59.592 57.345 0.029 0.000 1.297 43 W CB -0.476 28.956 29.460 -0.047 0.000 1.140 43 W HN 0.142 nan 8.180 nan 0.000 0.507 44 A N 0.917 123.824 122.820 0.144 0.000 1.883 44 A HA -0.140 4.195 4.320 0.025 0.000 0.217 44 A C 2.120 179.582 177.584 -0.202 0.000 1.186 44 A CA 2.847 54.835 52.037 -0.082 0.000 0.624 44 A CB -1.620 17.446 19.000 0.110 0.000 0.822 44 A HN 0.453 nan 8.150 nan 0.000 0.444 45 A N -0.490 122.274 122.820 -0.094 0.000 1.908 45 A HA -0.076 4.259 4.320 0.025 0.000 0.218 45 A C 2.200 179.686 177.584 -0.163 0.000 1.181 45 A CA 1.585 53.564 52.037 -0.096 0.000 0.627 45 A CB -0.621 18.357 19.000 -0.037 0.000 0.818 45 A HN 0.483 nan 8.150 nan 0.000 0.445 46 L N -0.860 120.231 121.223 -0.219 0.000 2.046 46 L HA -0.204 4.151 4.340 0.025 0.000 0.208 46 L C 3.079 179.733 176.870 -0.360 0.000 1.077 46 L CA 1.100 55.784 54.840 -0.259 0.000 0.747 46 L CB -0.442 41.464 42.059 -0.255 0.000 0.896 46 L HN 0.442 nan 8.230 nan 0.000 0.432 47 A N -0.352 122.100 122.820 -0.613 0.000 1.972 47 A HA -0.200 4.136 4.320 0.025 0.000 0.219 47 A C 2.290 179.687 177.584 -0.312 0.000 1.169 47 A CA 1.490 53.171 52.037 -0.593 0.000 0.635 47 A CB -0.291 18.109 19.000 -1.001 0.000 0.810 47 A HN 0.325 nan 8.150 nan 0.000 0.446 48 K N -0.517 119.733 120.400 -0.250 0.000 2.217 48 K HA -0.035 4.300 4.320 0.025 0.000 0.202 48 K C 1.804 178.337 176.600 -0.113 0.000 1.051 48 K CA 0.794 56.995 56.287 -0.144 0.000 0.952 48 K CB -0.044 32.392 32.500 -0.108 0.000 0.736 48 K HN 0.215 nan 8.250 nan 0.000 0.453 49 K N 1.170 121.496 120.400 -0.124 0.000 2.057 49 K HA -0.177 4.158 4.320 0.025 0.000 0.206 49 K C 2.108 178.656 176.600 -0.088 0.000 1.050 49 K CA 1.262 57.494 56.287 -0.092 0.000 0.935 49 K CB -0.026 32.422 32.500 -0.087 0.000 0.715 49 K HN 0.277 nan 8.250 nan 0.000 0.439 50 Q N 0.256 119.987 119.800 -0.115 0.000 2.083 50 Q HA -0.033 4.322 4.340 0.025 0.000 0.198 50 Q C 0.124 176.081 176.000 -0.071 0.000 0.969 50 Q CA 0.779 56.528 55.803 -0.090 0.000 0.838 50 Q CB 0.305 28.981 28.738 -0.103 0.000 0.900 50 Q HN 0.151 nan 8.270 nan 0.000 0.436 51 L N 2.178 123.351 121.223 -0.084 0.000 2.335 51 L HA 0.294 4.650 4.340 0.025 0.000 0.268 51 L C -0.797 176.040 176.870 -0.054 0.000 1.037 51 L CA -0.676 54.129 54.840 -0.060 0.000 0.895 51 L CB 1.434 43.459 42.059 -0.056 0.000 1.266 51 L HN -0.210 nan 8.230 nan 0.000 0.439 52 K N 1.298 121.672 120.400 -0.042 0.000 2.416 52 K HA 0.351 4.686 4.320 0.025 0.000 0.283 52 K C 1.118 177.701 176.600 -0.029 0.000 1.037 52 K CA 0.556 56.821 56.287 -0.037 0.000 0.995 52 K CB 0.828 33.310 32.500 -0.029 0.000 0.938 52 K HN 0.947 nan 8.250 nan 0.000 0.475 53 G N 1.318 110.101 108.800 -0.028 0.000 2.176 53 G HA2 -0.299 3.676 3.960 0.025 0.000 0.253 53 G HA3 -0.299 3.676 3.960 0.025 0.000 0.253 53 G C 0.080 174.970 174.900 -0.016 0.000 0.979 53 G CA 0.677 45.766 45.100 -0.019 0.000 0.641 53 G HN 0.585 nan 8.290 nan 0.000 0.530 54 K N 0.461 120.848 120.400 -0.023 0.000 2.159 54 K HA 0.488 4.823 4.320 0.025 0.000 0.266 54 K C -0.064 176.526 176.600 -0.016 0.000 0.975 54 K CA -0.875 55.403 56.287 -0.016 0.000 0.865 54 K CB 0.479 32.968 32.500 -0.018 0.000 1.087 54 K HN 0.050 nan 8.250 nan 0.000 0.446 55 N N 4.768 123.470 118.700 0.003 0.000 2.405 55 N HA 0.120 4.875 4.740 0.025 0.000 0.260 55 N C -2.114 173.414 175.510 0.030 0.000 1.152 55 N CA -2.101 50.958 53.050 0.015 0.000 0.948 55 N CB 1.274 39.778 38.487 0.028 0.000 1.111 55 N HN 0.404 nan 8.380 nan 0.000 0.485 56 P HA -0.079 nan 4.420 nan 0.000 0.222 56 P C 0.435 177.814 177.300 0.132 0.000 1.147 56 P CA 1.095 64.237 63.100 0.069 0.000 0.790 56 P CB 0.333 32.063 31.700 0.051 0.000 0.780 57 E N -0.479 119.783 120.200 0.103 0.000 2.338 57 E HA -0.145 4.220 4.350 0.025 0.000 0.197 57 E C 1.029 177.697 176.600 0.113 0.000 1.007 57 E CA 0.611 57.075 56.400 0.107 0.000 0.849 57 E CB -0.447 29.310 29.700 0.095 0.000 0.774 57 E HN 0.322 nan 8.360 nan 0.000 0.506 58 D N 0.588 121.047 120.400 0.098 0.000 2.309 58 D HA -0.117 4.538 4.640 0.025 0.000 0.212 58 D C 1.523 177.881 176.300 0.098 0.000 0.968 58 D CA 0.789 54.848 54.000 0.098 0.000 0.882 58 D CB 0.041 40.883 40.800 0.069 0.000 0.918 58 D HN 0.235 nan 8.370 nan 0.000 0.503 59 L N 0.209 121.495 121.223 0.105 0.000 2.592 59 L HA 0.197 4.552 4.340 0.025 0.000 0.227 59 L C 0.664 177.585 176.870 0.084 0.000 1.127 59 L CA -0.187 54.718 54.840 0.108 0.000 0.884 59 L CB 0.156 42.319 42.059 0.173 0.000 1.065 59 L HN -0.125 nan 8.230 nan 0.000 0.457 60 I N 0.325 120.921 120.570 0.042 0.000 2.533 60 I HA -0.074 4.111 4.170 0.025 0.000 0.284 60 I C -0.248 175.804 176.117 -0.108 0.000 1.109 60 I CA -0.078 61.182 61.300 -0.068 0.000 1.412 60 I CB 0.506 38.401 38.000 -0.177 0.000 1.396 60 I HN 0.180 nan 8.210 nan 0.000 0.543 61 W N 8.145 129.305 121.300 -0.233 0.000 2.416 61 W HA 0.214 4.889 4.660 0.024 0.000 0.318 61 W C -0.213 176.168 176.519 -0.231 0.000 1.150 61 W CA -0.753 56.503 57.345 -0.149 0.000 1.392 61 W CB -0.108 29.335 29.460 -0.028 0.000 1.311 61 W HN 0.424 nan 8.180 nan 0.000 0.436 62 H N 4.910 124.147 119.070 0.279 0.000 3.008 62 H HA 0.101 4.672 4.556 0.026 0.000 0.268 62 H C 0.882 176.174 175.328 -0.061 0.000 1.323 62 H CA 0.152 56.232 56.048 0.053 0.000 1.401 62 H CB -0.257 29.550 29.762 0.075 0.000 1.556 62 H HN 0.259 nan 8.280 nan 0.000 0.502 63 T N 0.646 115.018 114.554 -0.304 0.000 2.856 63 T HA 0.047 4.412 4.350 0.025 0.000 0.306 63 T C -1.422 173.193 174.700 -0.140 0.000 1.062 63 T CA -1.512 60.322 62.100 -0.443 0.000 1.083 63 T CB 1.167 69.608 68.868 -0.711 0.000 0.984 63 T HN 0.157 nan 8.240 nan 0.000 0.542 64 P HA -0.048 nan 4.420 nan 0.000 0.219 64 P C 1.174 178.426 177.300 -0.081 0.000 1.146 64 P CA 0.852 63.928 63.100 -0.041 0.000 0.808 64 P CB 0.015 31.704 31.700 -0.018 0.000 0.779 65 E N -1.372 118.750 120.200 -0.131 0.000 2.333 65 E HA 0.039 4.404 4.350 0.025 0.000 0.198 65 E C 1.551 178.084 176.600 -0.112 0.000 1.007 65 E CA 1.140 57.457 56.400 -0.138 0.000 0.845 65 E CB -0.893 28.699 29.700 -0.180 0.000 0.766 65 E HN 0.231 nan 8.360 nan 0.000 0.507 66 G N -0.044 108.699 108.800 -0.095 0.000 2.157 66 G HA2 -0.280 3.695 3.960 0.025 0.000 0.248 66 G HA3 -0.280 3.695 3.960 0.025 0.000 0.248 66 G C 0.184 175.052 174.900 -0.053 0.000 0.979 66 G CA 0.053 45.120 45.100 -0.055 0.000 0.650 66 G HN 0.237 nan 8.290 nan 0.000 0.529 67 I N 1.886 122.393 120.570 -0.105 0.000 2.342 67 I HA 0.340 4.525 4.170 0.025 0.000 0.291 67 I C 0.472 176.519 176.117 -0.116 0.000 1.010 67 I CA -0.433 60.804 61.300 -0.104 0.000 1.308 67 I CB 1.649 39.561 38.000 -0.147 0.000 1.400 67 I HN 0.040 nan 8.210 nan 0.000 0.488 68 S N 7.184 122.858 115.700 -0.044 0.000 2.448 68 S HA 0.430 4.915 4.470 0.025 0.000 0.279 68 S C -0.042 174.519 174.600 -0.065 0.000 1.195 68 S CA -0.376 57.780 58.200 -0.073 0.000 1.051 68 S CB 0.108 63.304 63.200 -0.006 0.000 0.948 68 S HN 0.315 nan 8.310 nan 0.000 0.493 69 I N 4.190 124.719 120.570 -0.068 0.000 2.312 69 I HA 0.244 4.429 4.170 0.025 0.000 0.290 69 I C 0.475 176.654 176.117 0.103 0.000 1.008 69 I CA -0.618 60.740 61.300 0.097 0.000 1.226 69 I CB 0.938 39.016 38.000 0.129 0.000 1.371 69 I HN 0.363 nan 8.210 nan 0.000 0.468 70 K N 7.664 128.053 120.400 -0.019 0.000 2.319 70 K HA 0.154 4.489 4.320 0.025 0.000 0.265 70 K C -1.416 175.095 176.600 -0.148 0.000 1.000 70 K CA -1.175 54.951 56.287 -0.268 0.000 0.943 70 K CB 0.696 32.738 32.500 -0.763 0.000 0.950 70 K HN 0.367 nan 8.250 nan 0.000 0.485 71 P HA -0.036 nan 4.420 nan 0.000 0.236 71 P C -0.408 176.702 177.300 -0.316 0.000 1.177 71 P CA 0.649 63.678 63.100 -0.118 0.000 0.773 71 P CB 0.295 31.999 31.700 0.008 0.000 0.878 72 L N -0.995 119.870 121.223 -0.596 0.000 2.588 72 L HA 0.460 4.815 4.340 0.025 0.000 0.263 72 L C -1.642 174.882 176.870 -0.577 0.000 0.935 72 L CA -0.941 53.498 54.840 -0.669 0.000 0.891 72 L CB 1.439 42.600 42.059 -1.496 0.000 1.318 72 L HN -0.307 nan 8.230 nan 0.000 0.409 73 Y N 2.260 122.412 120.300 -0.247 0.000 2.528 73 Y HA 0.870 5.435 4.550 0.025 0.000 0.335 73 Y C 0.472 176.281 175.900 -0.152 0.000 1.093 73 Y CA -0.013 58.002 58.100 -0.141 0.000 1.134 73 Y CB 2.356 40.807 38.460 -0.014 0.000 1.253 73 Y HN 0.704 nan 8.280 nan 0.000 0.478 74 S N -0.219 115.381 115.700 -0.167 0.000 2.705 74 S HA 0.352 4.838 4.470 0.025 0.000 0.280 74 S C 0.484 174.421 174.600 -1.106 0.000 1.174 74 S CA -1.027 56.826 58.200 -0.579 0.000 0.823 74 S CB 1.820 64.859 63.200 -0.268 0.000 1.162 74 S HN 0.693 nan 8.310 nan 0.000 0.487 75 K N 0.935 120.659 120.400 -1.127 0.000 2.127 75 K HA -0.198 4.137 4.320 0.025 0.000 0.208 75 K C 2.268 178.679 176.600 -0.315 0.000 1.047 75 K CA 1.977 57.823 56.287 -0.735 0.000 0.927 75 K CB -0.347 32.003 32.500 -0.250 0.000 0.716 75 K HN 0.683 nan 8.250 nan 0.000 0.450 76 R N -0.268 120.113 120.500 -0.197 0.000 2.235 76 R HA -0.071 4.284 4.340 0.025 0.000 0.213 76 R C 0.835 177.096 176.300 -0.064 0.000 1.059 76 R CA 1.487 57.534 56.100 -0.088 0.000 0.997 76 R CB -0.099 30.167 30.300 -0.056 0.000 0.884 76 R HN 0.193 nan 8.270 nan 0.000 0.462 77 D N 1.437 121.792 120.400 -0.074 0.000 2.312 77 D HA -0.061 4.595 4.640 0.025 0.000 0.211 77 D C 0.707 177.036 176.300 0.049 0.000 0.964 77 D CA 1.639 55.652 54.000 0.022 0.000 0.877 77 D CB 0.448 41.331 40.800 0.138 0.000 0.924 77 D HN 0.492 nan 8.370 nan 0.000 0.515 78 T N -2.753 111.828 114.554 0.044 0.000 3.339 78 T HA 0.194 4.559 4.350 0.025 0.000 0.292 78 T C 1.378 176.105 174.700 0.045 0.000 1.012 78 T CA -0.381 61.762 62.100 0.073 0.000 0.937 78 T CB 0.094 69.058 68.868 0.161 0.000 1.164 78 T HN -0.194 nan 8.240 nan 0.000 0.509 79 M N 1.262 120.872 119.600 0.016 0.000 2.446 79 M HA 0.039 4.534 4.480 0.025 0.000 0.263 79 M C 0.596 176.899 176.300 0.005 0.000 1.066 79 M CA 1.179 56.485 55.300 0.010 0.000 1.087 79 M CB -0.678 31.919 32.600 -0.005 0.000 1.406 79 M HN 0.246 nan 8.290 nan 0.000 0.459 80 D N -0.222 120.178 120.400 -0.001 0.000 2.379 80 D HA 0.124 4.779 4.640 0.025 0.000 0.208 80 D C 0.063 176.352 176.300 -0.018 0.000 1.065 80 D CA -0.091 53.902 54.000 -0.011 0.000 0.848 80 D CB 0.278 41.067 40.800 -0.018 0.000 0.949 80 D HN 0.088 nan 8.370 nan 0.000 0.509 81 L N 2.191 123.408 121.223 -0.011 0.000 2.601 81 L HA 0.125 4.480 4.340 0.025 0.000 0.277 81 L C -1.929 174.926 176.870 -0.025 0.000 1.219 81 L CA -0.644 54.183 54.840 -0.021 0.000 0.915 81 L CB 0.024 42.081 42.059 -0.004 0.000 1.160 81 L HN -0.102 nan 8.230 nan 0.000 0.494 82 P HA 0.083 nan 4.420 nan 0.000 0.272 82 P C -1.098 176.182 177.300 -0.034 0.000 1.230 82 P CA -0.394 62.681 63.100 -0.040 0.000 0.788 82 P CB 0.389 32.055 31.700 -0.057 0.000 0.949 83 E N 1.943 122.126 120.200 -0.029 0.000 1.944 83 E HA 0.027 4.393 4.350 0.025 0.000 0.272 83 E C -0.423 176.157 176.600 -0.034 0.000 1.195 83 E CA -0.039 56.347 56.400 -0.024 0.000 0.926 83 E CB 0.022 29.712 29.700 -0.017 0.000 1.051 83 E HN 0.327 nan 8.360 nan 0.000 0.404 84 E N 3.281 123.460 120.200 -0.035 0.000 2.250 84 E HA 0.463 4.828 4.350 0.025 0.000 0.269 84 E C -0.516 176.067 176.600 -0.029 0.000 1.018 84 E CA -0.709 55.664 56.400 -0.045 0.000 0.873 84 E CB 1.438 31.108 29.700 -0.049 0.000 1.134 84 E HN 0.440 nan 8.360 nan 0.000 0.403 85 L N 2.234 123.437 121.223 -0.034 0.000 2.401 85 L HA 0.417 4.772 4.340 0.025 0.000 0.266 85 L C -2.413 174.464 176.870 0.011 0.000 0.991 85 L CA -2.431 52.405 54.840 -0.006 0.000 0.818 85 L CB 2.114 44.170 42.059 -0.005 0.000 1.321 85 L HN 0.325 nan 8.230 nan 0.000 0.413 86 P HA 0.083 nan 4.420 nan 0.000 0.268 86 P C 0.767 178.144 177.300 0.129 0.000 1.205 86 P CA 0.625 63.779 63.100 0.089 0.000 0.771 86 P CB 0.914 32.660 31.700 0.078 0.000 0.858 87 G N 0.826 109.767 108.800 0.235 0.000 2.179 87 G HA2 -0.180 3.796 3.960 0.025 0.000 0.260 87 G HA3 -0.180 3.796 3.960 0.025 0.000 0.260 87 G C -0.163 174.890 174.900 0.254 0.000 0.977 87 G CA 0.036 45.322 45.100 0.310 0.000 0.641 87 G HN 0.574 nan 8.290 nan 0.000 0.533 88 V N 1.916 121.816 119.914 -0.024 0.000 2.604 88 V HA 0.500 4.635 4.120 0.025 0.000 0.305 88 V C 0.732 176.278 176.094 -0.914 0.000 1.043 88 V CA -0.826 61.285 62.300 -0.316 0.000 0.888 88 V CB 1.956 33.680 31.823 -0.165 0.000 0.995 88 V HN 0.559 nan 8.190 nan 0.000 0.429 89 K N 5.399 125.081 120.400 -1.198 0.000 2.489 89 K HA 0.171 4.507 4.320 0.025 0.000 0.278 89 K C -2.033 174.249 176.600 -0.531 0.000 1.000 89 K CA -0.679 54.874 56.287 -1.222 0.000 1.012 89 K CB 0.473 32.647 32.500 -0.544 0.000 0.903 89 K HN 0.425 nan 8.250 nan 0.000 0.485 90 P HA 0.098 nan 4.420 nan 0.000 0.258 90 P C -0.734 176.570 177.300 0.006 0.000 1.416 90 P CA -0.344 62.647 63.100 -0.181 0.000 0.927 90 P CB -0.288 31.416 31.700 0.007 0.000 1.444 91 F N -2.158 117.810 119.950 0.029 0.000 2.884 91 F HA -0.238 4.304 4.527 0.025 0.000 0.294 91 F C 1.589 177.399 175.800 0.016 0.000 0.723 91 F CA 1.072 59.082 58.000 0.016 0.000 1.294 91 F CB -3.089 35.921 39.000 0.016 0.000 1.551 91 F HN -0.060 nan 8.300 nan 0.000 0.363 92 T N -0.680 113.946 114.554 0.119 0.000 2.685 92 T HA -0.258 4.107 4.350 0.025 0.000 0.268 92 T C 1.826 176.567 174.700 0.069 0.000 1.034 92 T CA 2.027 64.173 62.100 0.076 0.000 1.149 92 T CB -0.177 68.699 68.868 0.013 0.000 0.860 92 T HN 0.488 nan 8.240 nan 0.000 0.449 93 R N 0.884 121.423 120.500 0.065 0.000 2.310 93 R HA 0.384 4.739 4.340 0.025 0.000 0.202 93 R C 0.924 177.266 176.300 0.070 0.000 0.933 93 R CA 0.169 56.305 56.100 0.059 0.000 1.054 93 R CB 0.383 30.709 30.300 0.043 0.000 0.985 93 R HN 0.441 nan 8.270 nan 0.000 0.489 94 G N 0.354 109.214 108.800 0.099 0.000 2.317 94 G HA2 -0.061 3.914 3.960 0.025 0.000 0.445 94 G HA3 -0.061 3.914 3.960 0.025 0.000 0.445 94 G C -2.811 172.138 174.900 0.082 0.000 1.486 94 G CA -1.085 44.055 45.100 0.067 0.000 0.991 94 G HN -0.252 nan 8.290 nan 0.000 0.660 95 P HA 0.134 nan 4.420 nan 0.000 0.225 95 P C -0.143 176.875 177.300 -0.469 0.000 1.156 95 P CA 1.037 63.851 63.100 -0.476 0.000 0.787 95 P CB 0.064 31.235 31.700 -0.882 0.000 0.802 96 Y N -2.554 117.807 120.300 0.100 0.000 2.499 96 Y HA 0.366 4.930 4.550 0.024 0.000 0.347 96 Y C -1.670 174.284 175.900 0.091 0.000 0.987 96 Y CA -2.847 55.310 58.100 0.095 0.000 1.044 96 Y CB 0.338 38.840 38.460 0.071 0.000 1.245 96 Y HN -0.292 nan 8.280 nan 0.000 0.461 97 P HA -0.136 nan 4.420 nan 0.000 0.215 97 P C 1.266 178.642 177.300 0.126 0.000 1.157 97 P CA 2.400 65.591 63.100 0.153 0.000 0.863 97 P CB 0.070 31.843 31.700 0.122 0.000 0.787 98 T N -5.870 108.766 114.554 0.136 0.000 3.081 98 T HA 0.119 4.484 4.350 0.025 0.000 0.255 98 T C 1.245 176.014 174.700 0.116 0.000 1.113 98 T CA 0.133 62.305 62.100 0.120 0.000 1.082 98 T CB -0.565 68.380 68.868 0.127 0.000 0.939 98 T HN -0.250 nan 8.240 nan 0.000 0.506 99 M N 1.018 120.681 119.600 0.105 0.000 7.319 99 M HA -0.297 4.199 4.480 0.025 0.000 0.320 99 M C 0.899 177.236 176.300 0.062 0.000 0.480 99 M CA 2.082 57.357 55.300 -0.040 0.000 1.311 99 M CB -2.025 30.422 32.600 -0.256 0.000 0.421 99 M HN 0.462 nan 8.290 nan 0.000 0.801 100 Y N 0.272 120.704 120.300 0.220 0.000 2.485 100 Y HA 0.215 4.782 4.550 0.029 0.000 0.260 100 Y C 2.273 178.256 175.900 0.138 0.000 1.173 100 Y CA 0.880 59.094 58.100 0.191 0.000 1.252 100 Y CB -1.087 37.531 38.460 0.263 0.000 1.123 100 Y HN 0.738 nan 8.280 nan 0.000 0.524 101 T N -3.592 111.119 114.554 0.261 0.000 2.995 101 T HA -0.151 4.214 4.350 0.025 0.000 0.269 101 T C 1.627 176.467 174.700 0.233 0.000 1.091 101 T CA 1.008 63.236 62.100 0.212 0.000 1.128 101 T CB -0.425 68.545 68.868 0.169 0.000 0.891 101 T HN 0.242 nan 8.240 nan 0.000 0.492 102 F N 2.007 122.005 119.950 0.081 0.000 2.419 102 F HA 0.444 4.988 4.527 0.027 0.000 0.283 102 F C 0.814 176.635 175.800 0.034 0.000 1.044 102 F CA -0.199 57.828 58.000 0.046 0.000 1.376 102 F CB 0.597 39.616 39.000 0.031 0.000 1.131 102 F HN -0.062 nan 8.300 nan 0.000 0.585 103 R N 0.592 121.068 120.500 -0.041 0.000 2.673 103 R HA 0.473 4.829 4.340 0.025 0.000 0.281 103 R C -2.629 173.682 176.300 0.018 0.000 0.991 103 R CA -1.736 54.268 56.100 -0.160 0.000 0.896 103 R CB 1.184 31.367 30.300 -0.195 0.000 1.201 103 R HN 0.035 nan 8.270 nan 0.000 0.457 104 P HA 0.344 nan 4.420 nan 0.000 0.279 104 P C -0.430 176.763 177.300 -0.178 0.000 1.276 104 P CA -0.819 62.142 63.100 -0.232 0.000 0.801 104 P CB 0.502 31.762 31.700 -0.734 0.000 1.127 105 W N -0.116 121.066 121.300 -0.197 0.000 2.160 105 W HA 0.252 4.922 4.660 0.017 0.000 0.352 105 W C -0.639 175.857 176.519 -0.037 0.000 1.288 105 W CA -0.172 57.145 57.345 -0.047 0.000 1.279 105 W CB -1.619 27.747 29.460 -0.156 0.000 1.181 105 W HN 0.126 nan 8.180 nan 0.000 0.593 106 T N 3.892 118.548 114.554 0.170 0.000 2.817 106 T HA 0.304 4.670 4.350 0.025 0.000 0.293 106 T C 0.257 175.060 174.700 0.173 0.000 0.964 106 T CA -0.481 61.652 62.100 0.056 0.000 1.085 106 T CB 0.338 69.248 68.868 0.071 0.000 0.921 106 T HN 0.318 nan 8.240 nan 0.000 0.502 107 I N 4.267 124.861 120.570 0.039 0.000 2.505 107 I HA 0.188 4.373 4.170 0.025 0.000 0.287 107 I C 0.868 177.037 176.117 0.086 0.000 1.104 107 I CA 0.150 61.523 61.300 0.122 0.000 1.387 107 I CB 0.181 38.204 38.000 0.038 0.000 1.404 107 I HN 0.292 nan 8.210 nan 0.000 0.528 108 R N 6.247 126.842 120.500 0.159 0.000 2.607 108 R HA 0.181 4.536 4.340 0.025 0.000 0.278 108 R C 0.164 176.513 176.300 0.082 0.000 1.637 108 R CA -0.463 55.669 56.100 0.054 0.000 1.325 108 R CB 1.494 31.849 30.300 0.092 0.000 1.211 108 R HN 0.598 nan 8.270 nan 0.000 0.565 109 Q N 0.301 120.050 119.800 -0.086 0.000 2.435 109 Q HA -0.007 4.348 4.340 0.025 0.000 0.207 109 Q C -0.182 175.511 176.000 -0.513 0.000 0.956 109 Q CA 0.265 55.882 55.803 -0.310 0.000 0.917 109 Q CB -0.030 28.637 28.738 -0.118 0.000 0.997 109 Q HN 0.509 nan 8.270 nan 0.000 0.497 110 Y N -0.675 119.421 120.300 -0.339 0.000 3.491 110 Y HA -0.292 4.272 4.550 0.022 0.000 0.215 110 Y C 0.536 176.342 175.900 -0.158 0.000 1.219 110 Y CA 0.189 58.155 58.100 -0.224 0.000 1.485 110 Y CB -2.049 36.279 38.460 -0.220 0.000 1.450 110 Y HN 0.119 nan 8.280 nan 0.000 0.603 111 A N 0.197 122.993 122.820 -0.041 0.000 2.425 111 A HA 0.709 5.044 4.320 0.025 0.000 0.242 111 A C 1.054 178.568 177.584 -0.117 0.000 1.077 111 A CA 0.782 52.763 52.037 -0.094 0.000 0.781 111 A CB 0.450 19.405 19.000 -0.074 0.000 1.020 111 A HN 1.056 nan 8.150 nan 0.000 0.494 112 G N -0.797 107.771 108.800 -0.386 0.000 2.494 112 G HA2 0.564 4.539 3.960 0.025 0.000 0.308 112 G HA3 0.564 4.539 3.960 0.025 0.000 0.308 112 G C -1.404 173.067 174.900 -0.715 0.000 1.263 112 G CA -0.608 44.252 45.100 -0.400 0.000 0.840 112 G HN 0.580 nan 8.290 nan 0.000 0.479 113 F N -1.024 118.776 119.950 -0.250 0.000 2.650 113 F HA 0.628 5.172 4.527 0.028 0.000 0.320 113 F C 1.099 176.805 175.800 -0.156 0.000 1.091 113 F CA -0.582 57.285 58.000 -0.221 0.000 0.962 113 F CB 2.561 41.405 39.000 -0.260 0.000 1.363 113 F HN 0.310 nan 8.300 nan 0.000 0.482 114 S N -0.582 115.168 115.700 0.083 0.000 2.556 114 S HA 0.101 4.586 4.470 0.025 0.000 0.216 114 S C 0.067 174.671 174.600 0.006 0.000 0.970 114 S CA 0.214 58.426 58.200 0.020 0.000 0.912 114 S CB -0.195 63.013 63.200 0.013 0.000 0.790 114 S HN 0.681 nan 8.310 nan 0.000 0.504 115 T N -1.575 112.977 114.554 -0.002 0.000 2.893 115 T HA 0.456 4.821 4.350 0.025 0.000 0.291 115 T C 1.312 175.953 174.700 -0.098 0.000 1.028 115 T CA -0.487 61.585 62.100 -0.048 0.000 0.995 115 T CB 1.588 70.422 68.868 -0.057 0.000 1.051 115 T HN -0.048 nan 8.240 nan 0.000 0.470 116 V N -0.302 119.549 119.914 -0.104 0.000 2.490 116 V HA -0.052 4.083 4.120 0.025 0.000 0.250 116 V C 2.055 178.041 176.094 -0.179 0.000 1.061 116 V CA 1.575 63.786 62.300 -0.148 0.000 1.064 116 V CB -1.222 30.532 31.823 -0.115 0.000 0.670 116 V HN 0.856 nan 8.190 nan 0.000 0.461 117 E N 0.878 120.988 120.200 -0.149 0.000 2.072 117 E HA -0.106 4.260 4.350 0.025 0.000 0.190 117 E C 2.242 178.704 176.600 -0.231 0.000 0.982 117 E CA 1.628 57.934 56.400 -0.156 0.000 0.803 117 E CB -0.316 29.314 29.700 -0.118 0.000 0.755 117 E HN 0.776 nan 8.360 nan 0.000 0.453 118 E N 0.171 120.198 120.200 -0.288 0.000 2.072 118 E HA -0.109 4.257 4.350 0.025 0.000 0.191 118 E C 2.095 178.343 176.600 -0.587 0.000 0.985 118 E CA 1.111 57.200 56.400 -0.518 0.000 0.801 118 E CB -0.020 29.297 29.700 -0.639 0.000 0.750 118 E HN 0.056 nan 8.360 nan 0.000 0.452 119 S N 1.073 116.523 115.700 -0.416 0.000 2.370 119 S HA -0.207 4.278 4.470 0.025 0.000 0.226 119 S C 1.773 175.880 174.600 -0.821 0.000 1.033 119 S CA 1.123 58.985 58.200 -0.563 0.000 1.011 119 S CB -0.396 62.470 63.200 -0.556 0.000 0.852 119 S HN 0.330 nan 8.310 nan 0.000 0.457 120 N N 1.430 119.839 118.700 -0.485 0.000 2.120 120 N HA -0.159 4.596 4.740 0.025 0.000 0.188 120 N C 1.813 177.245 175.510 -0.130 0.000 1.024 120 N CA 1.341 54.249 53.050 -0.235 0.000 0.852 120 N CB -0.184 38.239 38.487 -0.106 0.000 1.003 120 N HN 0.404 nan 8.380 nan 0.000 0.424 121 K N -0.057 120.242 120.400 -0.168 0.000 2.032 121 K HA -0.177 4.158 4.320 0.025 0.000 0.209 121 K C 2.191 178.767 176.600 -0.040 0.000 1.048 121 K CA 1.275 57.496 56.287 -0.110 0.000 0.927 121 K CB -0.451 31.951 32.500 -0.162 0.000 0.712 121 K HN 0.199 nan 8.250 nan 0.000 0.441 122 F N 0.374 120.166 119.950 -0.264 0.000 2.171 122 F HA -0.234 4.307 4.527 0.023 0.000 0.300 122 F C 1.623 177.462 175.800 0.064 0.000 1.090 122 F CA 1.340 59.277 58.000 -0.105 0.000 1.293 122 F CB -0.090 38.879 39.000 -0.052 0.000 1.013 122 F HN 0.120 nan 8.300 nan 0.000 0.486 123 Y N 0.222 120.512 120.300 -0.017 0.000 2.200 123 Y HA -0.235 4.330 4.550 0.024 0.000 0.290 123 Y C 2.398 178.233 175.900 -0.110 0.000 1.137 123 Y CA 1.017 59.057 58.100 -0.100 0.000 1.163 123 Y CB -0.318 38.161 38.460 0.032 0.000 0.988 123 Y HN -0.020 nan 8.280 nan 0.000 0.518 124 K N 0.176 120.638 120.400 0.102 0.000 2.057 124 K HA -0.157 4.178 4.320 0.025 0.000 0.206 124 K C 1.457 178.047 176.600 -0.018 0.000 1.050 124 K CA 1.568 57.876 56.287 0.035 0.000 0.935 124 K CB -0.147 32.371 32.500 0.029 0.000 0.715 124 K HN 0.217 nan 8.250 nan 0.000 0.439 125 D N 0.930 121.307 120.400 -0.038 0.000 2.106 125 D HA -0.175 4.480 4.640 0.025 0.000 0.191 125 D C 1.604 177.838 176.300 -0.109 0.000 0.997 125 D CA 1.224 55.190 54.000 -0.057 0.000 0.834 125 D CB -0.476 40.307 40.800 -0.027 0.000 0.956 125 D HN 0.134 nan 8.370 nan 0.000 0.448 126 N N 0.485 119.059 118.700 -0.210 0.000 2.104 126 N HA -0.100 4.656 4.740 0.025 0.000 0.190 126 N C 2.091 177.525 175.510 -0.126 0.000 1.024 126 N CA 0.447 53.361 53.050 -0.226 0.000 0.853 126 N CB -0.351 37.926 38.487 -0.350 0.000 1.008 126 N HN 0.309 nan 8.380 nan 0.000 0.424 127 I N 1.330 121.849 120.570 -0.084 0.000 2.202 127 I HA -0.249 3.936 4.170 0.025 0.000 0.242 127 I C 2.651 178.739 176.117 -0.048 0.000 1.091 127 I CA 1.562 62.828 61.300 -0.056 0.000 1.368 127 I CB -0.428 37.557 38.000 -0.026 0.000 1.058 127 I HN 0.211 nan 8.210 nan 0.000 0.410 128 K N 1.048 121.423 120.400 -0.041 0.000 2.103 128 K HA -0.027 4.308 4.320 0.025 0.000 0.207 128 K C 2.023 178.600 176.600 -0.039 0.000 1.048 128 K CA 1.582 57.849 56.287 -0.033 0.000 0.930 128 K CB -1.329 31.155 32.500 -0.026 0.000 0.716 128 K HN 0.495 nan 8.250 nan 0.000 0.444 129 A N -0.552 122.238 122.820 -0.050 0.000 2.252 129 A HA 0.449 4.784 4.320 0.025 0.000 0.207 129 A C 1.974 179.524 177.584 -0.056 0.000 1.194 129 A CA 1.067 53.073 52.037 -0.051 0.000 0.809 129 A CB -0.934 18.031 19.000 -0.058 0.000 0.814 129 A HN 1.674 nan 8.150 nan 0.000 0.482 130 G N -1.461 107.306 108.800 -0.056 0.000 2.159 130 G HA2 -0.269 3.706 3.960 0.025 0.000 0.256 130 G HA3 -0.269 3.706 3.960 0.025 0.000 0.256 130 G C 0.152 175.011 174.900 -0.068 0.000 0.977 130 G CA 0.367 45.434 45.100 -0.056 0.000 0.652 130 G HN 0.654 nan 8.290 nan 0.000 0.531 131 Q N -0.437 119.313 119.800 -0.083 0.000 2.327 131 Q HA 0.458 4.813 4.340 0.025 0.000 0.254 131 Q C 1.150 177.092 176.000 -0.096 0.000 0.952 131 Q CA 0.003 55.747 55.803 -0.099 0.000 0.884 131 Q CB 0.389 29.051 28.738 -0.128 0.000 1.224 131 Q HN 0.515 nan 8.270 nan 0.000 0.422 132 Q N 1.040 120.781 119.800 -0.098 0.000 2.189 132 Q HA 0.227 4.582 4.340 0.025 0.000 0.223 132 Q C -0.102 175.831 176.000 -0.111 0.000 0.828 132 Q CA -0.075 55.673 55.803 -0.091 0.000 0.967 132 Q CB 1.554 30.248 28.738 -0.073 0.000 1.139 132 Q HN 0.658 nan 8.270 nan 0.000 0.497 133 G N 0.970 109.688 108.800 -0.136 0.000 2.452 133 G HA2 0.686 4.661 3.960 0.025 0.000 0.324 133 G HA3 0.686 4.661 3.960 0.025 0.000 0.324 133 G C -0.927 173.852 174.900 -0.202 0.000 1.214 133 G CA -0.325 44.674 45.100 -0.167 0.000 0.947 133 G HN -0.016 nan 8.290 nan 0.000 0.478 134 L N 0.736 121.823 121.223 -0.226 0.000 2.327 134 L HA 0.777 5.132 4.340 0.025 0.000 0.258 134 L C 0.217 176.971 176.870 -0.194 0.000 1.024 134 L CA -1.017 53.668 54.840 -0.257 0.000 0.825 134 L CB 2.614 44.365 42.059 -0.513 0.000 1.386 134 L HN 0.698 nan 8.230 nan 0.000 0.417 135 S N -0.116 115.538 115.700 -0.077 0.000 2.599 135 S HA 0.888 5.373 4.470 0.025 0.000 0.287 135 S C -1.079 173.605 174.600 0.139 0.000 1.105 135 S CA -0.729 57.468 58.200 -0.004 0.000 0.899 135 S CB 2.203 65.353 63.200 -0.084 0.000 1.100 135 S HN 0.268 nan 8.310 nan 0.000 0.482 136 V N 0.925 120.879 119.914 0.066 0.000 2.577 136 V HA 0.836 4.971 4.120 0.025 0.000 0.303 136 V C 0.118 176.022 176.094 -0.317 0.000 1.042 136 V CA -0.611 61.608 62.300 -0.135 0.000 0.872 136 V CB 1.092 32.759 31.823 -0.260 0.000 0.998 136 V HN 1.277 nan 8.190 nan 0.000 0.423 137 A N 4.369 126.996 122.820 -0.321 0.000 2.325 137 A HA 0.970 5.305 4.320 0.025 0.000 0.333 137 A C -1.148 176.177 177.584 -0.433 0.000 1.155 137 A CA -0.332 51.579 52.037 -0.209 0.000 0.814 137 A CB 0.824 19.825 19.000 0.001 0.000 1.206 137 A HN 0.624 nan 8.150 nan 0.000 0.482 138 F N 0.698 120.702 119.950 0.090 0.000 2.561 138 F HA 0.409 4.952 4.527 0.026 0.000 0.321 138 F C 0.409 176.280 175.800 0.119 0.000 1.065 138 F CA -0.720 57.277 58.000 -0.005 0.000 0.934 138 F CB 1.684 40.510 39.000 -0.291 0.000 1.215 138 F HN 0.724 nan 8.300 nan 0.000 0.471 139 D N 0.910 121.467 120.400 0.262 0.000 2.360 139 D HA 0.053 4.709 4.640 0.025 0.000 0.242 139 D C 0.899 177.378 176.300 0.300 0.000 1.184 139 D CA -0.403 53.733 54.000 0.226 0.000 0.930 139 D CB 0.710 41.589 40.800 0.131 0.000 1.161 139 D HN 0.431 nan 8.370 nan 0.000 0.447 140 L N 1.222 122.580 121.223 0.225 0.000 2.156 140 L HA 0.057 4.413 4.340 0.025 0.000 0.208 140 L C 2.227 179.195 176.870 0.163 0.000 1.095 140 L CA 1.984 56.941 54.840 0.196 0.000 0.770 140 L CB -1.202 40.918 42.059 0.102 0.000 0.914 140 L HN 0.624 nan 8.230 nan 0.000 0.439 141 A N -1.242 121.659 122.820 0.135 0.000 1.873 141 A HA -0.269 4.066 4.320 0.025 0.000 0.218 141 A C 2.277 179.936 177.584 0.124 0.000 1.193 141 A CA 2.648 54.775 52.037 0.149 0.000 0.629 141 A CB -1.285 17.777 19.000 0.104 0.000 0.826 141 A HN 0.493 nan 8.150 nan 0.000 0.447 142 T N -0.982 113.621 114.554 0.082 0.000 2.737 142 T HA -0.127 4.238 4.350 0.025 0.000 0.265 142 T C 1.805 176.435 174.700 -0.118 0.000 1.038 142 T CA 1.330 63.417 62.100 -0.022 0.000 1.144 142 T CB -0.540 68.320 68.868 -0.013 0.000 0.866 142 T HN 0.589 nan 8.240 nan 0.000 0.434 143 H N 1.364 120.399 119.070 -0.059 0.000 2.357 143 H HA -0.016 4.555 4.556 0.025 0.000 0.296 143 H C 1.996 177.211 175.328 -0.189 0.000 1.108 143 H CA 1.266 57.241 56.048 -0.123 0.000 1.273 143 H CB 0.035 29.753 29.762 -0.073 0.000 1.367 143 H HN 0.266 nan 8.280 nan 0.000 0.498 144 R N -0.200 120.268 120.500 -0.054 0.000 2.388 144 R HA 0.119 4.475 4.340 0.025 0.000 0.247 144 R C 0.779 176.806 176.300 -0.455 0.000 0.931 144 R CA 0.453 56.407 56.100 -0.244 0.000 1.082 144 R CB 0.722 30.910 30.300 -0.188 0.000 1.135 144 R HN 0.377 nan 8.270 nan 0.000 0.525 145 G N 1.104 109.713 108.800 -0.318 0.000 2.182 145 G HA2 -0.290 3.685 3.960 0.025 0.000 0.248 145 G HA3 -0.290 3.685 3.960 0.025 0.000 0.248 145 G C -0.523 174.135 174.900 -0.404 0.000 1.042 145 G CA -0.075 44.815 45.100 -0.350 0.000 0.775 145 G HN 0.263 nan 8.290 nan 0.000 0.501 146 Y N 0.328 120.577 120.300 -0.085 0.000 2.420 146 Y HA 0.560 5.125 4.550 0.025 0.000 0.334 146 Y C 0.599 176.476 175.900 -0.038 0.000 1.094 146 Y CA -1.254 56.809 58.100 -0.061 0.000 1.126 146 Y CB 1.208 39.628 38.460 -0.067 0.000 1.217 146 Y HN 0.073 nan 8.280 nan 0.000 0.462 147 D N -0.018 120.480 120.400 0.162 0.000 2.313 147 D HA 0.131 4.787 4.640 0.025 0.000 0.247 147 D C 0.682 177.025 176.300 0.071 0.000 1.094 147 D CA 0.015 54.066 54.000 0.085 0.000 0.925 147 D CB 1.609 42.445 40.800 0.060 0.000 1.188 147 D HN 0.533 nan 8.370 nan 0.000 0.430 148 S N 0.314 116.041 115.700 0.045 0.000 2.442 148 S HA -0.157 4.329 4.470 0.025 0.000 0.236 148 S C 1.124 175.732 174.600 0.013 0.000 1.007 148 S CA 0.917 59.134 58.200 0.029 0.000 0.965 148 S CB -0.073 63.141 63.200 0.024 0.000 0.773 148 S HN 0.556 nan 8.310 nan 0.000 0.504 149 D N 0.613 121.022 120.400 0.015 0.000 2.340 149 D HA 0.003 4.658 4.640 0.025 0.000 0.220 149 D C 0.249 176.546 176.300 -0.004 0.000 1.039 149 D CA -0.070 53.933 54.000 0.004 0.000 0.866 149 D CB -0.616 40.188 40.800 0.007 0.000 0.913 149 D HN 0.096 nan 8.370 nan 0.000 0.523 150 N N 1.589 120.286 118.700 -0.006 0.000 2.452 150 N HA 0.049 4.805 4.740 0.025 0.000 0.266 150 N C -1.698 173.764 175.510 -0.079 0.000 1.175 150 N CA -1.326 51.701 53.050 -0.038 0.000 0.945 150 N CB 1.764 40.223 38.487 -0.046 0.000 1.063 150 N HN -0.149 nan 8.380 nan 0.000 0.472 151 P HA -0.099 nan 4.420 nan 0.000 0.218 151 P C 1.220 178.460 177.300 -0.100 0.000 1.148 151 P CA 0.915 63.975 63.100 -0.066 0.000 0.822 151 P CB 0.219 31.891 31.700 -0.046 0.000 0.784 152 R N 0.505 120.907 120.500 -0.163 0.000 2.170 152 R HA -0.113 4.243 4.340 0.025 0.000 0.242 152 R C 1.089 177.253 176.300 -0.227 0.000 1.145 152 R CA 1.690 57.651 56.100 -0.232 0.000 0.984 152 R CB -0.347 29.697 30.300 -0.427 0.000 0.869 152 R HN 0.195 nan 8.270 nan 0.000 0.455 153 V N -2.681 117.111 119.914 -0.204 0.000 3.085 153 V HA 0.247 4.382 4.120 0.025 0.000 0.345 153 V C 1.522 177.577 176.094 -0.065 0.000 1.397 153 V CA -0.264 61.956 62.300 -0.134 0.000 1.165 153 V CB 0.225 31.975 31.823 -0.123 0.000 1.153 153 V HN 0.161 nan 8.190 nan 0.000 0.495 154 R N 1.743 122.206 120.500 -0.062 0.000 2.096 154 R HA -0.112 4.244 4.340 0.025 0.000 0.240 154 R C 1.976 178.257 176.300 -0.033 0.000 1.139 154 R CA 2.282 58.357 56.100 -0.041 0.000 0.952 154 R CB -0.636 29.640 30.300 -0.040 0.000 0.854 154 R HN 0.629 nan 8.270 nan 0.000 0.436 155 G N -0.672 108.108 108.800 -0.034 0.000 2.744 155 G HA2 -0.115 3.861 3.960 0.025 0.000 0.211 155 G HA3 -0.115 3.861 3.960 0.025 0.000 0.211 155 G C 0.573 175.464 174.900 -0.014 0.000 1.143 155 G CA 0.409 45.490 45.100 -0.031 0.000 0.788 155 G HN 0.392 nan 8.290 nan 0.000 0.534 156 D N -0.119 120.278 120.400 -0.004 0.000 2.388 156 D HA 0.050 4.706 4.640 0.025 0.000 0.208 156 D C 0.860 177.178 176.300 0.030 0.000 1.035 156 D CA -0.015 53.998 54.000 0.021 0.000 0.875 156 D CB 0.763 41.582 40.800 0.031 0.000 0.984 156 D HN 0.017 nan 8.370 nan 0.000 0.508 157 V N 1.494 121.418 119.914 0.017 0.000 2.540 157 V HA 0.222 4.357 4.120 0.025 0.000 0.297 157 V C 1.577 177.684 176.094 0.023 0.000 1.024 157 V CA 1.076 63.391 62.300 0.024 0.000 1.105 157 V CB 0.343 32.173 31.823 0.012 0.000 0.938 157 V HN 0.506 nan 8.190 nan 0.000 0.482 158 G N 4.691 113.512 108.800 0.035 0.000 2.179 158 G HA2 -0.276 3.699 3.960 0.025 0.000 0.257 158 G HA3 -0.276 3.699 3.960 0.025 0.000 0.257 158 G C 0.588 175.503 174.900 0.024 0.000 1.010 158 G CA 0.600 45.715 45.100 0.027 0.000 0.736 158 G HN 0.486 nan 8.290 nan 0.000 0.513 159 M N -0.561 119.060 119.600 0.036 0.000 2.553 159 M HA 0.296 4.791 4.480 0.025 0.000 0.255 159 M C 2.852 179.179 176.300 0.045 0.000 1.181 159 M CA 1.759 57.078 55.300 0.032 0.000 1.210 159 M CB -1.222 31.397 32.600 0.031 0.000 1.280 159 M HN 0.542 nan 8.290 nan 0.000 0.495 160 A N -0.070 122.795 122.820 0.075 0.000 2.119 160 A HA 0.404 4.739 4.320 0.025 0.000 0.217 160 A C 1.206 178.841 177.584 0.085 0.000 1.153 160 A CA 1.392 53.486 52.037 0.095 0.000 0.692 160 A CB -0.415 18.667 19.000 0.138 0.000 0.799 160 A HN 0.573 nan 8.150 nan 0.000 0.458 161 G N -2.088 106.752 108.800 0.066 0.000 2.325 161 G HA2 0.448 4.423 3.960 0.025 0.000 0.295 161 G HA3 0.448 4.423 3.960 0.025 0.000 0.295 161 G C -0.519 174.389 174.900 0.014 0.000 1.274 161 G CA -0.072 45.043 45.100 0.024 0.000 0.857 161 G HN 1.140 nan 8.290 nan 0.000 0.499 162 V N -0.940 118.946 119.914 -0.047 0.000 2.686 162 V HA 0.723 4.858 4.120 0.025 0.000 0.295 162 V C 0.851 176.987 176.094 0.070 0.000 1.055 162 V CA 0.075 62.362 62.300 -0.022 0.000 1.050 162 V CB 0.862 32.631 31.823 -0.090 0.000 0.984 162 V HN 2.120 nan 8.190 nan 0.000 0.482 163 A N 6.379 129.235 122.820 0.060 0.000 2.404 163 A HA 0.649 4.984 4.320 0.025 0.000 0.273 163 A C -0.149 177.490 177.584 0.092 0.000 1.144 163 A CA -0.414 51.671 52.037 0.080 0.000 0.806 163 A CB -0.323 18.706 19.000 0.048 0.000 1.080 163 A HN 0.752 nan 8.150 nan 0.000 0.509 164 I N 3.303 123.947 120.570 0.124 0.000 2.382 164 I HA 0.266 4.452 4.170 0.025 0.000 0.286 164 I C -0.257 175.894 176.117 0.057 0.000 1.002 164 I CA -0.204 61.161 61.300 0.107 0.000 1.135 164 I CB 1.365 39.467 38.000 0.169 0.000 1.288 164 I HN 0.708 nan 8.210 nan 0.000 0.448 165 D N 2.979 123.405 120.400 0.044 0.000 2.463 165 D HA 0.055 4.710 4.640 0.025 0.000 0.237 165 D C 0.948 177.261 176.300 0.022 0.000 1.013 165 D CA 0.999 55.016 54.000 0.029 0.000 0.910 165 D CB 1.362 42.179 40.800 0.027 0.000 1.080 165 D HN 0.612 nan 8.370 nan 0.000 0.498 166 T N -2.827 111.744 114.554 0.028 0.000 2.804 166 T HA 0.273 4.638 4.350 0.025 0.000 0.290 166 T C 0.993 175.717 174.700 0.040 0.000 1.099 166 T CA -0.566 61.549 62.100 0.025 0.000 1.011 166 T CB 1.848 70.727 68.868 0.018 0.000 1.291 166 T HN -0.237 nan 8.240 nan 0.000 0.523 167 V N 0.967 120.902 119.914 0.036 0.000 2.688 167 V HA -0.108 4.027 4.120 0.025 0.000 0.256 167 V C 2.297 178.425 176.094 0.056 0.000 1.084 167 V CA 2.063 64.394 62.300 0.051 0.000 1.103 167 V CB -0.968 30.874 31.823 0.032 0.000 0.688 167 V HN 0.849 nan 8.190 nan 0.000 0.480 168 E N -0.220 120.003 120.200 0.038 0.000 2.204 168 E HA -0.171 4.195 4.350 0.025 0.000 0.194 168 E C 1.871 178.493 176.600 0.037 0.000 0.989 168 E CA 1.318 57.738 56.400 0.033 0.000 0.824 168 E CB -0.292 29.420 29.700 0.020 0.000 0.756 168 E HN 0.714 nan 8.360 nan 0.000 0.477 169 D N 0.360 120.784 120.400 0.041 0.000 2.123 169 D HA -0.094 4.561 4.640 0.025 0.000 0.200 169 D C 2.053 178.375 176.300 0.037 0.000 0.976 169 D CA 1.905 55.925 54.000 0.033 0.000 0.831 169 D CB -0.278 40.548 40.800 0.042 0.000 0.974 169 D HN 0.278 nan 8.370 nan 0.000 0.469 170 T N -0.296 114.314 114.554 0.093 0.000 2.867 170 T HA -0.083 4.282 4.350 0.025 0.000 0.268 170 T C 1.853 176.657 174.700 0.174 0.000 1.057 170 T CA 0.809 63.002 62.100 0.154 0.000 1.136 170 T CB -0.096 68.961 68.868 0.315 0.000 0.874 170 T HN 0.090 nan 8.240 nan 0.000 0.466 171 K N 0.787 121.265 120.400 0.130 0.000 2.057 171 K HA 0.119 4.454 4.320 0.025 0.000 0.206 171 K C 2.237 178.886 176.600 0.082 0.000 1.050 171 K CA 1.241 57.600 56.287 0.120 0.000 0.935 171 K CB -0.347 32.196 32.500 0.072 0.000 0.715 171 K HN 0.381 nan 8.250 nan 0.000 0.439 172 I N 0.791 121.379 120.570 0.031 0.000 2.202 172 I HA -0.263 3.922 4.170 0.025 0.000 0.242 172 I C 2.285 178.378 176.117 -0.039 0.000 1.091 172 I CA 0.588 61.887 61.300 -0.001 0.000 1.368 172 I CB -0.250 37.739 38.000 -0.019 0.000 1.058 172 I HN 0.100 nan 8.210 nan 0.000 0.410 173 L N 0.786 121.940 121.223 -0.115 0.000 2.051 173 L HA -0.212 4.144 4.340 0.025 0.000 0.214 173 L C 1.602 178.315 176.870 -0.263 0.000 1.076 173 L CA 2.132 56.797 54.840 -0.291 0.000 0.758 173 L CB -0.596 41.142 42.059 -0.534 0.000 0.890 173 L HN 0.132 nan 8.230 nan 0.000 0.433 174 F N -1.188 118.860 119.950 0.164 0.000 2.647 174 F HA 0.207 4.749 4.527 0.025 0.000 0.300 174 F C 0.508 176.362 175.800 0.090 0.000 1.106 174 F CA -0.891 57.201 58.000 0.153 0.000 1.313 174 F CB -0.129 38.947 39.000 0.126 0.000 1.007 174 F HN 0.014 nan 8.300 nan 0.000 0.536 175 D N 0.592 121.098 120.400 0.176 0.000 2.412 175 D HA 0.291 4.946 4.640 0.025 0.000 0.257 175 D C 1.183 177.546 176.300 0.104 0.000 1.217 175 D CA 1.454 55.521 54.000 0.110 0.000 0.897 175 D CB 0.627 41.462 40.800 0.057 0.000 1.132 175 D HN 0.454 nan 8.370 nan 0.000 0.493 176 G N 3.699 112.550 108.800 0.086 0.000 2.159 176 G HA2 -0.208 3.767 3.960 0.025 0.000 0.256 176 G HA3 -0.208 3.767 3.960 0.025 0.000 0.256 176 G C 0.173 175.121 174.900 0.080 0.000 0.977 176 G CA 0.074 45.213 45.100 0.066 0.000 0.652 176 G HN 0.504 nan 8.290 nan 0.000 0.531 177 I N 2.102 122.747 120.570 0.125 0.000 2.312 177 I HA 0.321 4.506 4.170 0.025 0.000 0.290 177 I C -2.041 174.107 176.117 0.051 0.000 1.008 177 I CA -3.408 57.968 61.300 0.126 0.000 1.226 177 I CB 1.027 39.189 38.000 0.270 0.000 1.371 177 I HN -0.104 nan 8.210 nan 0.000 0.468 178 P HA 0.213 nan 4.420 nan 0.000 0.277 178 P C 0.724 177.991 177.300 -0.056 0.000 1.354 178 P CA -0.163 62.924 63.100 -0.023 0.000 0.891 178 P CB 0.756 32.444 31.700 -0.019 0.000 1.058 179 L N 2.572 123.739 121.223 -0.093 0.000 2.478 179 L HA -0.103 4.252 4.340 0.025 0.000 0.223 179 L C 2.422 179.238 176.870 -0.091 0.000 1.140 179 L CA 0.767 55.523 54.840 -0.140 0.000 0.842 179 L CB -0.504 41.394 42.059 -0.269 0.000 0.953 179 L HN 0.342 nan 8.230 nan 0.000 0.452 180 E N 1.024 121.182 120.200 -0.070 0.000 2.268 180 E HA -0.211 4.154 4.350 0.025 0.000 0.195 180 E C 1.816 178.397 176.600 -0.032 0.000 0.995 180 E CA 1.564 57.937 56.400 -0.045 0.000 0.836 180 E CB -0.019 29.657 29.700 -0.039 0.000 0.763 180 E HN 0.452 nan 8.360 nan 0.000 0.491 181 K N 0.559 120.936 120.400 -0.038 0.000 2.399 181 K HA 0.290 4.625 4.320 0.025 0.000 0.196 181 K C 1.259 177.834 176.600 -0.042 0.000 1.117 181 K CA 0.399 56.665 56.287 -0.035 0.000 0.965 181 K CB 0.080 32.559 32.500 -0.034 0.000 0.983 181 K HN -0.007 nan 8.250 nan 0.000 0.531 182 M N 1.427 120.996 119.600 -0.052 0.000 2.209 182 M HA 0.386 4.881 4.480 0.025 0.000 0.355 182 M C -0.133 176.137 176.300 -0.050 0.000 1.171 182 M CA -0.980 54.278 55.300 -0.070 0.000 1.069 182 M CB 1.004 33.543 32.600 -0.101 0.000 1.622 182 M HN 0.119 nan 8.290 nan 0.000 0.459 183 S N 2.458 118.118 115.700 -0.066 0.000 2.505 183 S HA 0.413 4.898 4.470 0.025 0.000 0.276 183 S C -0.468 174.074 174.600 -0.096 0.000 1.274 183 S CA -0.505 57.656 58.200 -0.064 0.000 1.053 183 S CB 0.139 63.280 63.200 -0.099 0.000 0.919 183 S HN 0.473 nan 8.310 nan 0.000 0.490 184 V N 5.368 125.244 119.914 -0.063 0.000 2.334 184 V HA 0.380 4.515 4.120 0.025 0.000 0.281 184 V C 0.251 176.263 176.094 -0.136 0.000 1.016 184 V CA -0.665 61.567 62.300 -0.114 0.000 0.832 184 V CB 1.341 33.067 31.823 -0.161 0.000 0.999 184 V HN 0.835 nan 8.190 nan 0.000 0.439 185 S N 6.777 122.412 115.700 -0.109 0.000 2.452 185 S HA 0.682 5.168 4.470 0.025 0.000 0.284 185 S C -0.420 174.214 174.600 0.056 0.000 1.171 185 S CA -0.527 57.639 58.200 -0.057 0.000 1.064 185 S CB 0.231 63.407 63.200 -0.039 0.000 0.967 185 S HN 0.659 nan 8.310 nan 0.000 0.484 186 M N 4.305 123.954 119.600 0.083 0.000 2.181 186 M HA 0.251 4.746 4.480 0.025 0.000 0.323 186 M C -0.167 176.273 176.300 0.234 0.000 1.004 186 M CA -0.556 54.883 55.300 0.231 0.000 0.941 186 M CB 1.992 34.742 32.600 0.249 0.000 1.579 186 M HN 0.667 nan 8.290 nan 0.000 0.427 187 T N 1.526 116.270 114.554 0.318 0.000 3.162 187 T HA 0.624 4.990 4.350 0.025 0.000 0.316 187 T C -0.518 174.382 174.700 0.334 0.000 1.182 187 T CA -0.570 61.689 62.100 0.266 0.000 1.015 187 T CB -0.043 68.969 68.868 0.240 0.000 1.089 187 T HN 0.613 nan 8.240 nan 0.000 0.646 188 M N 2.945 122.629 119.600 0.140 0.000 2.421 188 M HA 0.510 5.006 4.480 0.025 0.000 0.287 188 M C -1.094 175.189 176.300 -0.028 0.000 1.183 188 M CA -0.755 54.509 55.300 -0.061 0.000 0.916 188 M CB 1.812 34.184 32.600 -0.379 0.000 1.701 188 M HN 0.338 nan 8.290 nan 0.000 0.470 189 N N 1.682 120.368 118.700 -0.022 0.000 2.496 189 N HA 0.153 4.909 4.740 0.025 0.000 0.262 189 N C 1.017 176.488 175.510 -0.066 0.000 0.981 189 N CA 0.668 53.696 53.050 -0.036 0.000 0.903 189 N CB 0.127 38.593 38.487 -0.035 0.000 1.737 189 N HN 0.757 nan 8.380 nan 0.000 0.715 190 G N 1.541 110.293 108.800 -0.080 0.000 2.524 190 G HA2 -0.078 3.897 3.960 0.025 0.000 0.215 190 G HA3 -0.078 3.897 3.960 0.025 0.000 0.215 190 G C 0.936 175.751 174.900 -0.141 0.000 1.239 190 G CA 1.288 46.303 45.100 -0.141 0.000 0.798 190 G HN 0.386 nan 8.290 nan 0.000 0.557 191 A N 0.089 122.806 122.820 -0.172 0.000 2.840 191 A HA 0.537 4.872 4.320 0.025 0.000 0.269 191 A C 1.762 179.251 177.584 -0.158 0.000 1.439 191 A CA 0.318 52.257 52.037 -0.164 0.000 1.083 191 A CB -0.115 18.759 19.000 -0.211 0.000 1.019 191 A HN 0.452 nan 8.150 nan 0.000 0.607 192 V N 0.032 119.879 119.914 -0.111 0.000 2.469 192 V HA -0.209 3.926 4.120 0.025 0.000 0.251 192 V C 2.047 178.093 176.094 -0.079 0.000 1.064 192 V CA 2.089 64.326 62.300 -0.105 0.000 1.066 192 V CB -0.443 31.343 31.823 -0.062 0.000 0.667 192 V HN 0.651 nan 8.190 nan 0.000 0.461 193 I N 1.223 121.768 120.570 -0.040 0.000 2.113 193 I HA -0.064 4.121 4.170 0.025 0.000 0.238 193 I C 0.205 176.284 176.117 -0.063 0.000 1.070 193 I CA 2.003 63.278 61.300 -0.043 0.000 1.332 193 I CB -2.761 35.240 38.000 0.001 0.000 1.044 193 I HN 0.374 nan 8.210 nan 0.000 0.402 194 P HA -0.021 nan 4.420 nan 0.000 0.220 194 P C 2.160 179.424 177.300 -0.061 0.000 1.152 194 P CA 0.994 64.060 63.100 -0.057 0.000 0.812 194 P CB 0.091 31.760 31.700 -0.052 0.000 0.792 195 V N 0.395 120.243 119.914 -0.109 0.000 2.307 195 V HA -0.193 3.942 4.120 0.025 0.000 0.245 195 V C 2.632 178.717 176.094 -0.014 0.000 1.045 195 V CA 1.463 63.690 62.300 -0.122 0.000 1.024 195 V CB -1.294 30.312 31.823 -0.361 0.000 0.651 195 V HN 0.019 nan 8.190 nan 0.000 0.449 196 L N 0.787 121.988 121.223 -0.037 0.000 2.083 196 L HA -0.057 4.298 4.340 0.025 0.000 0.209 196 L C 2.448 179.333 176.870 0.026 0.000 1.083 196 L CA 2.255 57.101 54.840 0.010 0.000 0.752 196 L CB -1.002 41.033 42.059 -0.039 0.000 0.899 196 L HN 0.233 nan 8.230 nan 0.000 0.433 197 A N -0.317 122.478 122.820 -0.041 0.000 1.883 197 A HA -0.250 4.085 4.320 0.025 0.000 0.217 197 A C 2.089 179.670 177.584 -0.004 0.000 1.186 197 A CA 1.985 53.983 52.037 -0.065 0.000 0.624 197 A CB -0.844 18.102 19.000 -0.091 0.000 0.822 197 A HN 0.590 nan 8.150 nan 0.000 0.444 198 N N -0.962 117.762 118.700 0.039 0.000 2.149 198 N HA -0.158 4.598 4.740 0.025 0.000 0.188 198 N C 1.444 177.040 175.510 0.143 0.000 1.019 198 N CA 1.562 54.660 53.050 0.080 0.000 0.857 198 N CB -0.678 37.870 38.487 0.102 0.000 0.997 198 N HN 0.623 nan 8.380 nan 0.000 0.426 199 F N 1.377 121.350 119.950 0.039 0.000 2.102 199 F HA -0.097 4.445 4.527 0.026 0.000 0.298 199 F C 2.112 177.886 175.800 -0.044 0.000 1.105 199 F CA 1.092 59.115 58.000 0.039 0.000 1.239 199 F CB -0.144 38.866 39.000 0.016 0.000 0.991 199 F HN -0.080 nan 8.300 nan 0.000 0.474 200 I N -0.358 120.144 120.570 -0.113 0.000 2.142 200 I HA -0.312 3.873 4.170 0.025 0.000 0.240 200 I C 2.229 178.225 176.117 -0.201 0.000 1.078 200 I CA 1.313 62.478 61.300 -0.224 0.000 1.343 200 I CB -0.563 37.386 38.000 -0.085 0.000 1.046 200 I HN 0.008 nan 8.210 nan 0.000 0.405 201 V N 0.234 120.082 119.914 -0.109 0.000 2.407 201 V HA -0.268 3.868 4.120 0.025 0.000 0.248 201 V C 2.464 178.508 176.094 -0.085 0.000 1.055 201 V CA 2.315 64.567 62.300 -0.080 0.000 1.049 201 V CB -0.959 30.839 31.823 -0.042 0.000 0.662 201 V HN 0.475 nan 8.190 nan 0.000 0.455 202 T N 0.494 115.001 114.554 -0.079 0.000 2.684 202 T HA -0.157 4.208 4.350 0.025 0.000 0.267 202 T C 1.931 176.544 174.700 -0.146 0.000 1.036 202 T CA 1.720 63.789 62.100 -0.052 0.000 1.148 202 T CB -0.686 68.222 68.868 0.067 0.000 0.863 202 T HN 0.630 nan 8.240 nan 0.000 0.436 203 G N 1.155 109.765 108.800 -0.315 0.000 2.421 203 G HA2 -0.208 3.768 3.960 0.025 0.000 0.216 203 G HA3 -0.208 3.768 3.960 0.025 0.000 0.216 203 G C 1.454 176.241 174.900 -0.187 0.000 1.171 203 G CA 0.760 45.663 45.100 -0.328 0.000 0.775 203 G HN 0.518 nan 8.290 nan 0.000 0.543 204 E N 0.406 120.511 120.200 -0.158 0.000 2.085 204 E HA -0.140 4.225 4.350 0.025 0.000 0.194 204 E C 2.363 178.920 176.600 -0.072 0.000 0.994 204 E CA 1.142 57.482 56.400 -0.100 0.000 0.801 204 E CB -0.105 29.545 29.700 -0.083 0.000 0.743 204 E HN 0.577 nan 8.360 nan 0.000 0.453 205 E N 0.412 120.573 120.200 -0.065 0.000 2.427 205 E HA -0.098 4.267 4.350 0.025 0.000 0.196 205 E C 1.669 178.248 176.600 -0.035 0.000 1.028 205 E CA 0.198 56.574 56.400 -0.040 0.000 0.864 205 E CB 0.122 29.807 29.700 -0.025 0.000 0.813 205 E HN 0.299 nan 8.360 nan 0.000 0.514 206 Q N -0.181 119.589 119.800 -0.049 0.000 2.482 206 Q HA 0.010 4.365 4.340 0.025 0.000 0.209 206 Q C 0.838 176.812 176.000 -0.044 0.000 0.961 206 Q CA 0.477 56.255 55.803 -0.042 0.000 0.945 206 Q CB 0.389 29.093 28.738 -0.055 0.000 1.012 206 Q HN 0.345 nan 8.270 nan 0.000 0.515 207 G N 0.958 109.729 108.800 -0.049 0.000 2.246 207 G HA2 -0.238 3.737 3.960 0.025 0.000 0.273 207 G HA3 -0.238 3.737 3.960 0.025 0.000 0.273 207 G C -0.146 174.723 174.900 -0.052 0.000 1.055 207 G CA 0.011 45.084 45.100 -0.044 0.000 0.851 207 G HN 0.208 nan 8.290 nan 0.000 0.500 208 V N 1.305 121.174 119.914 -0.074 0.000 2.350 208 V HA 0.418 4.553 4.120 0.025 0.000 0.276 208 V C -1.521 174.526 176.094 -0.079 0.000 1.028 208 V CA -1.763 60.489 62.300 -0.081 0.000 0.860 208 V CB 1.642 33.395 31.823 -0.116 0.000 0.990 208 V HN 0.184 nan 8.190 nan 0.000 0.453 209 P HA 0.154 nan 4.420 nan 0.000 0.268 209 P C 0.760 178.031 177.300 -0.048 0.000 1.204 209 P CA -0.117 62.957 63.100 -0.043 0.000 0.768 209 P CB 0.642 32.327 31.700 -0.025 0.000 0.842 210 K N 2.532 122.904 120.400 -0.046 0.000 2.077 210 K HA -0.251 4.085 4.320 0.025 0.000 0.213 210 K C 1.703 178.303 176.600 0.000 0.000 1.051 210 K CA 1.911 58.177 56.287 -0.035 0.000 0.929 210 K CB -0.122 32.371 32.500 -0.010 0.000 0.715 210 K HN 0.638 nan 8.250 nan 0.000 0.451 211 E N 1.035 121.242 120.200 0.011 0.000 2.409 211 E HA -0.188 4.177 4.350 0.025 0.000 0.198 211 E C 1.009 177.627 176.600 0.029 0.000 1.024 211 E CA 1.170 57.585 56.400 0.026 0.000 0.861 211 E CB 0.004 29.713 29.700 0.014 0.000 0.788 211 E HN 0.304 nan 8.360 nan 0.000 0.521 212 K N 0.571 120.978 120.400 0.012 0.000 2.393 212 K HA 0.235 4.570 4.320 0.025 0.000 0.193 212 K C 0.596 177.216 176.600 0.033 0.000 1.026 212 K CA -0.173 56.122 56.287 0.014 0.000 1.064 212 K CB 0.319 32.814 32.500 -0.010 0.000 0.833 212 K HN 0.112 nan 8.250 nan 0.000 0.521 213 L N 2.425 123.675 121.223 0.046 0.000 2.455 213 L HA 0.037 4.393 4.340 0.025 0.000 0.272 213 L C 0.659 177.706 176.870 0.295 0.000 1.174 213 L CA 0.130 55.042 54.840 0.119 0.000 0.869 213 L CB 0.370 42.456 42.059 0.046 0.000 1.130 213 L HN 0.136 nan 8.230 nan 0.000 0.474 214 T N -0.214 114.531 114.554 0.318 0.000 2.916 214 T HA 0.929 5.294 4.350 0.025 0.000 0.292 214 T C -0.049 174.778 174.700 0.212 0.000 1.055 214 T CA -0.147 62.108 62.100 0.258 0.000 1.009 214 T CB 2.444 71.357 68.868 0.075 0.000 1.118 214 T HN 0.993 nan 8.240 nan 0.000 0.497 215 G N 0.375 109.073 108.800 -0.170 0.000 2.302 215 G HA2 0.415 4.390 3.960 0.025 0.000 0.276 215 G HA3 0.415 4.390 3.960 0.025 0.000 0.276 215 G C -1.076 173.228 174.900 -0.993 0.000 1.316 215 G CA -0.297 44.565 45.100 -0.398 0.000 0.988 215 G HN 1.121 nan 8.290 nan 0.000 0.479 216 T N -0.055 114.041 114.554 -0.763 0.000 2.956 216 T HA 0.648 5.013 4.350 0.025 0.000 0.312 216 T C -0.935 173.606 174.700 -0.265 0.000 1.151 216 T CA -0.208 61.519 62.100 -0.622 0.000 1.024 216 T CB 2.015 70.686 68.868 -0.329 0.000 1.140 216 T HN 1.001 nan 8.240 nan 0.000 0.473 217 I N 2.191 122.708 120.570 -0.088 0.000 2.498 217 I HA 0.349 4.534 4.170 0.025 0.000 0.290 217 I C 1.380 177.505 176.117 0.013 0.000 1.032 217 I CA -0.650 60.687 61.300 0.061 0.000 1.073 217 I CB 2.044 40.159 38.000 0.191 0.000 1.251 217 I HN 0.750 nan 8.210 nan 0.000 0.426 218 Q N 4.480 124.289 119.800 0.015 0.000 2.030 218 Q HA -0.237 4.118 4.340 0.025 0.000 0.204 218 Q C 0.775 176.758 176.000 -0.029 0.000 0.986 218 Q CA 2.028 57.830 55.803 -0.001 0.000 0.843 218 Q CB 0.041 28.808 28.738 0.049 0.000 0.904 218 Q HN 0.791 nan 8.270 nan 0.000 0.420 219 N N 0.950 119.636 118.700 -0.024 0.000 2.721 219 N HA -0.187 4.568 4.740 0.025 0.000 0.249 219 N C -1.840 173.594 175.510 -0.127 0.000 1.072 219 N CA 1.118 54.132 53.050 -0.060 0.000 0.710 219 N CB -1.102 37.364 38.487 -0.035 0.000 0.993 219 N HN 0.391 nan 8.380 nan 0.000 0.547 220 D N 0.089 120.448 120.400 -0.068 0.000 2.479 220 D HA 0.237 4.893 4.640 0.025 0.000 0.247 220 D C 1.004 177.359 176.300 0.092 0.000 1.119 220 D CA -0.570 53.429 54.000 -0.001 0.000 0.922 220 D CB 0.016 40.846 40.800 0.052 0.000 1.014 220 D HN 0.263 nan 8.370 nan 0.000 0.510 221 I N 3.210 123.874 120.570 0.155 0.000 2.584 221 I HA -0.018 4.167 4.170 0.025 0.000 0.255 221 I C 1.969 178.164 176.117 0.129 0.000 1.145 221 I CA 0.692 62.029 61.300 0.061 0.000 1.462 221 I CB 0.145 38.190 38.000 0.074 0.000 1.102 221 I HN 0.428 nan 8.210 nan 0.000 0.433 222 L N 0.546 121.955 121.223 0.311 0.000 2.042 222 L HA -0.250 4.106 4.340 0.025 0.000 0.210 222 L C 2.351 179.340 176.870 0.199 0.000 1.076 222 L CA 1.905 56.909 54.840 0.273 0.000 0.749 222 L CB -0.874 41.247 42.059 0.103 0.000 0.893 222 L HN 0.282 nan 8.230 nan 0.000 0.432 223 K N -0.737 119.759 120.400 0.160 0.000 2.365 223 K HA -0.099 4.236 4.320 0.025 0.000 0.199 223 K C 1.648 178.275 176.600 0.045 0.000 1.045 223 K CA 0.859 57.214 56.287 0.114 0.000 0.962 223 K CB -0.228 32.352 32.500 0.132 0.000 0.759 223 K HN 0.153 nan 8.250 nan 0.000 0.469 224 E N 0.644 120.829 120.200 -0.026 0.000 2.047 224 E HA -0.107 4.258 4.350 0.025 0.000 0.191 224 E C 1.749 178.379 176.600 0.050 0.000 0.987 224 E CA 1.119 57.467 56.400 -0.087 0.000 0.799 224 E CB -0.366 29.201 29.700 -0.222 0.000 0.752 224 E HN 0.391 nan 8.360 nan 0.000 0.449 225 F N 0.655 120.705 119.950 0.168 0.000 2.171 225 F HA -0.082 4.461 4.527 0.026 0.000 0.300 225 F C 2.522 178.364 175.800 0.069 0.000 1.090 225 F CA 0.972 59.001 58.000 0.049 0.000 1.293 225 F CB -0.513 38.383 39.000 -0.174 0.000 1.013 225 F HN -0.030 nan 8.300 nan 0.000 0.486 226 M N -0.666 119.061 119.600 0.213 0.000 2.123 226 M HA -0.082 4.413 4.480 0.025 0.000 0.263 226 M C 1.875 178.247 176.300 0.120 0.000 1.069 226 M CA 2.022 57.401 55.300 0.132 0.000 1.133 226 M CB -0.165 32.493 32.600 0.096 0.000 1.356 226 M HN 0.194 nan 8.290 nan 0.000 0.415 227 V N -4.911 115.066 119.914 0.104 0.000 3.180 227 V HA 0.208 4.343 4.120 0.025 0.000 0.246 227 V C 1.564 177.674 176.094 0.027 0.000 1.545 227 V CA -0.109 62.232 62.300 0.069 0.000 1.138 227 V CB -0.101 31.761 31.823 0.066 0.000 0.978 227 V HN 0.319 nan 8.190 nan 0.000 0.437 228 R N 0.365 120.860 120.500 -0.009 0.000 2.265 228 R HA 0.218 4.573 4.340 0.025 0.000 0.194 228 R C 0.665 176.886 176.300 -0.133 0.000 0.931 228 R CA 0.751 56.793 56.100 -0.097 0.000 1.032 228 R CB 0.161 30.349 30.300 -0.186 0.000 0.980 228 R HN 0.591 nan 8.270 nan 0.000 0.497 229 N N 0.523 119.170 118.700 -0.088 0.000 2.741 229 N HA -0.135 4.620 4.740 0.025 0.000 0.250 229 N C -0.389 174.900 175.510 -0.369 0.000 1.115 229 N CA 1.670 54.600 53.050 -0.199 0.000 0.724 229 N CB -1.565 36.876 38.487 -0.077 0.000 1.090 229 N HN 0.514 nan 8.380 nan 0.000 0.558 230 T N -3.193 111.132 114.554 -0.381 0.000 3.266 230 T HA 0.251 4.617 4.350 0.025 0.000 0.278 230 T C 0.652 175.118 174.700 -0.390 0.000 1.010 230 T CA -0.733 61.146 62.100 -0.368 0.000 0.909 230 T CB -0.428 68.298 68.868 -0.237 0.000 1.122 230 T HN 0.273 nan 8.240 nan 0.000 0.536 231 Y N -0.037 120.104 120.300 -0.266 0.000 2.459 231 Y HA 0.582 5.147 4.550 0.025 0.000 0.349 231 Y C 0.922 176.649 175.900 -0.288 0.000 1.266 231 Y CA -1.504 56.358 58.100 -0.396 0.000 1.483 231 Y CB 0.275 38.277 38.460 -0.763 0.000 1.362 231 Y HN 0.023 nan 8.280 nan 0.000 0.628 232 I N -1.375 119.123 120.570 -0.120 0.000 3.746 232 I HA 0.176 4.361 4.170 0.025 0.000 0.262 232 I C -0.115 175.893 176.117 -0.182 0.000 1.153 232 I CA -0.360 60.716 61.300 -0.374 0.000 1.395 232 I CB 0.221 37.650 38.000 -0.953 0.000 1.589 232 I HN 0.402 nan 8.210 nan 0.000 0.441 233 F N 1.767 121.844 119.950 0.211 0.000 2.380 233 F HA 0.439 4.982 4.527 0.026 0.000 0.319 233 F C -2.201 173.753 175.800 0.257 0.000 1.113 233 F CA -2.430 55.698 58.000 0.214 0.000 1.056 233 F CB -0.423 38.653 39.000 0.127 0.000 1.289 233 F HN -0.324 nan 8.300 nan 0.000 0.515 234 P HA 0.071 nan 4.420 nan 0.000 0.271 234 P C -2.142 175.153 177.300 -0.008 0.000 1.244 234 P CA -0.800 62.402 63.100 0.170 0.000 0.793 234 P CB 0.157 31.946 31.700 0.149 0.000 0.984 235 P HA -0.154 nan 4.420 nan 0.000 0.215 235 P C 1.237 178.433 177.300 -0.173 0.000 1.153 235 P CA 1.681 64.512 63.100 -0.448 0.000 0.853 235 P CB -0.060 31.194 31.700 -0.744 0.000 0.788 236 E N -0.510 119.584 120.200 -0.177 0.000 2.028 236 E HA -0.129 4.236 4.350 0.025 0.000 0.191 236 E C -0.529 175.936 176.600 -0.224 0.000 0.988 236 E CA 1.553 57.858 56.400 -0.159 0.000 0.799 236 E CB -1.698 27.924 29.700 -0.131 0.000 0.755 236 E HN 0.397 nan 8.360 nan 0.000 0.447 237 P HA -0.033 nan 4.420 nan 0.000 0.221 237 P C 1.184 178.191 177.300 -0.488 0.000 1.150 237 P CA 1.144 63.791 63.100 -0.756 0.000 0.800 237 P CB 0.130 30.898 31.700 -1.554 0.000 0.787 238 S N -0.385 115.223 115.700 -0.152 0.000 2.383 238 S HA -0.099 4.386 4.470 0.025 0.000 0.229 238 S C 1.928 176.530 174.600 0.005 0.000 1.030 238 S CA 1.259 59.494 58.200 0.059 0.000 1.002 238 S CB -0.659 62.703 63.200 0.271 0.000 0.829 238 S HN 0.074 nan 8.310 nan 0.000 0.467 239 M N 1.080 120.667 119.600 -0.022 0.000 2.254 239 M HA 0.048 4.543 4.480 0.025 0.000 0.265 239 M C 2.052 178.304 176.300 -0.080 0.000 1.066 239 M CA 1.205 56.495 55.300 -0.016 0.000 1.123 239 M CB -1.125 31.469 32.600 -0.011 0.000 1.388 239 M HN 0.143 nan 8.290 nan 0.000 0.425 240 K N 1.343 121.666 120.400 -0.129 0.000 2.057 240 K HA -0.037 4.298 4.320 0.025 0.000 0.207 240 K C 1.698 178.232 176.600 -0.111 0.000 1.049 240 K CA 1.354 57.567 56.287 -0.122 0.000 0.931 240 K CB -0.608 31.796 32.500 -0.161 0.000 0.714 240 K HN 0.276 nan 8.250 nan 0.000 0.440 241 I N 0.525 121.020 120.570 -0.126 0.000 2.151 241 I HA -0.313 3.872 4.170 0.025 0.000 0.243 241 I C 2.183 178.223 176.117 -0.129 0.000 1.080 241 I CA 1.477 62.729 61.300 -0.080 0.000 1.339 241 I CB -0.231 37.753 38.000 -0.027 0.000 1.039 241 I HN 0.182 nan 8.210 nan 0.000 0.409 242 I N 0.410 120.866 120.570 -0.189 0.000 2.226 242 I HA -0.293 3.892 4.170 0.025 0.000 0.245 242 I C 2.801 178.538 176.117 -0.633 0.000 1.100 242 I CA 1.245 62.291 61.300 -0.423 0.000 1.374 242 I CB -0.548 37.219 38.000 -0.388 0.000 1.057 242 I HN 0.211 nan 8.210 nan 0.000 0.413 243 A N 0.826 123.445 122.820 -0.335 0.000 1.865 243 A HA -0.279 4.056 4.320 0.025 0.000 0.217 243 A C 1.930 179.489 177.584 -0.042 0.000 1.191 243 A CA 2.358 54.299 52.037 -0.161 0.000 0.623 243 A CB -0.753 18.219 19.000 -0.046 0.000 0.826 243 A HN 0.336 nan 8.150 nan 0.000 0.444 244 D N -0.162 120.218 120.400 -0.033 0.000 2.149 244 D HA -0.127 4.529 4.640 0.025 0.000 0.198 244 D C 1.750 178.099 176.300 0.083 0.000 0.990 244 D CA 1.146 55.170 54.000 0.039 0.000 0.839 244 D CB -0.325 40.487 40.800 0.020 0.000 0.948 244 D HN 0.549 nan 8.370 nan 0.000 0.460 245 I N -0.254 120.317 120.570 0.002 0.000 2.252 245 I HA -0.232 3.953 4.170 0.025 0.000 0.245 245 I C 2.116 178.407 176.117 0.291 0.000 1.102 245 I CA 0.769 62.120 61.300 0.085 0.000 1.385 245 I CB -0.242 37.752 38.000 -0.009 0.000 1.064 245 I HN -0.005 nan 8.210 nan 0.000 0.414 246 F N 0.805 120.840 119.950 0.142 0.000 2.102 246 F HA -0.259 4.283 4.527 0.025 0.000 0.298 246 F C 2.726 178.615 175.800 0.149 0.000 1.105 246 F CA 1.097 59.193 58.000 0.161 0.000 1.239 246 F CB -0.290 38.780 39.000 0.117 0.000 0.991 246 F HN 0.139 nan 8.300 nan 0.000 0.474 247 E N 0.092 120.483 120.200 0.318 0.000 2.031 247 E HA -0.300 4.065 4.350 0.025 0.000 0.193 247 E C 2.102 178.827 176.600 0.208 0.000 0.994 247 E CA 1.485 58.010 56.400 0.210 0.000 0.800 247 E CB -0.419 29.377 29.700 0.160 0.000 0.752 247 E HN 0.504 nan 8.360 nan 0.000 0.447 248 Y N 1.324 121.716 120.300 0.153 0.000 2.145 248 Y HA -0.228 4.337 4.550 0.025 0.000 0.286 248 Y C 2.607 178.633 175.900 0.210 0.000 1.145 248 Y CA 2.555 60.778 58.100 0.204 0.000 1.148 248 Y CB -0.445 38.119 38.460 0.173 0.000 0.981 248 Y HN 0.205 nan 8.280 nan 0.000 0.507 249 T N -1.915 112.867 114.554 0.379 0.000 2.904 249 T HA -0.044 4.321 4.350 0.025 0.000 0.267 249 T C 2.053 176.841 174.700 0.148 0.000 1.059 249 T CA 0.851 63.123 62.100 0.287 0.000 1.137 249 T CB -0.868 68.217 68.868 0.361 0.000 0.879 249 T HN 0.355 nan 8.240 nan 0.000 0.467 250 A N 2.044 124.943 122.820 0.132 0.000 1.933 250 A HA -0.047 4.288 4.320 0.025 0.000 0.218 250 A C 2.392 179.949 177.584 -0.045 0.000 1.175 250 A CA 1.895 53.969 52.037 0.060 0.000 0.628 250 A CB -0.681 18.366 19.000 0.078 0.000 0.814 250 A HN 0.591 nan 8.150 nan 0.000 0.444 251 K N -1.670 118.634 120.400 -0.159 0.000 2.007 251 K HA -0.134 4.202 4.320 0.025 0.000 0.206 251 K C 1.835 178.167 176.600 -0.447 0.000 1.047 251 K CA 1.445 57.504 56.287 -0.380 0.000 0.937 251 K CB -0.190 31.922 32.500 -0.647 0.000 0.718 251 K HN 0.645 nan 8.250 nan 0.000 0.438 252 H N -1.315 117.615 119.070 -0.233 0.000 2.604 252 H HA 0.184 4.755 4.556 0.025 0.000 0.273 252 H C 0.361 175.622 175.328 -0.111 0.000 0.971 252 H CA 0.577 56.475 56.048 -0.249 0.000 1.249 252 H CB 0.625 30.066 29.762 -0.535 0.000 1.449 252 H HN 0.165 nan 8.280 nan 0.000 0.512 253 M N 1.674 121.310 119.600 0.060 0.000 3.124 253 M HA 0.197 4.692 4.480 0.025 0.000 0.298 253 M C -2.041 174.345 176.300 0.142 0.000 1.403 253 M CA -1.363 54.006 55.300 0.116 0.000 0.651 253 M CB 1.952 34.635 32.600 0.140 0.000 1.412 253 M HN -0.139 nan 8.290 nan 0.000 0.477 254 P HA -0.157 nan 4.420 nan 0.000 0.222 254 P C 0.530 177.873 177.300 0.070 0.000 1.142 254 P CA 1.350 64.485 63.100 0.060 0.000 0.788 254 P CB 0.084 31.796 31.700 0.020 0.000 0.767 255 K N -2.091 118.367 120.400 0.097 0.000 2.379 255 K HA 0.088 4.423 4.320 0.025 0.000 0.194 255 K C 0.587 177.247 176.600 0.099 0.000 1.031 255 K CA -0.243 56.089 56.287 0.075 0.000 1.037 255 K CB -0.062 32.477 32.500 0.064 0.000 0.824 255 K HN 0.095 nan 8.250 nan 0.000 0.516 256 F N 2.680 122.647 119.950 0.027 0.000 2.427 256 F HA 0.133 4.675 4.527 0.026 0.000 0.352 256 F C 0.013 175.818 175.800 0.009 0.000 1.100 256 F CA -0.813 57.209 58.000 0.037 0.000 1.191 256 F CB 0.537 39.594 39.000 0.095 0.000 1.128 256 F HN -0.085 nan 8.300 nan 0.000 0.533 257 N N 4.250 122.640 118.700 -0.516 0.000 2.415 257 N HA 0.066 4.822 4.740 0.025 0.000 0.246 257 N C -0.059 175.307 175.510 -0.240 0.000 1.078 257 N CA 0.012 52.858 53.050 -0.340 0.000 0.942 257 N CB 1.444 39.710 38.487 -0.367 0.000 1.140 257 N HN 0.527 nan 8.380 nan 0.000 0.501 258 S N 1.468 117.191 115.700 0.038 0.000 2.577 258 S HA 0.278 4.763 4.470 0.025 0.000 0.219 258 S C 0.563 175.291 174.600 0.213 0.000 0.962 258 S CA -0.233 58.129 58.200 0.269 0.000 0.921 258 S CB -0.024 63.458 63.200 0.470 0.000 0.789 258 S HN 0.611 nan 8.310 nan 0.000 0.497 259 I N -0.081 120.501 120.570 0.020 0.000 2.842 259 I HA 0.359 4.544 4.170 0.025 0.000 0.297 259 I C -1.616 174.393 176.117 -0.181 0.000 1.380 259 I CA -0.272 60.993 61.300 -0.057 0.000 1.018 259 I CB 2.043 40.028 38.000 -0.024 0.000 1.311 259 I HN -0.095 nan 8.210 nan 0.000 0.439 260 S N 7.321 122.918 115.700 -0.171 0.000 2.707 260 S HA 0.599 5.085 4.470 0.025 0.000 0.312 260 S C -0.750 173.745 174.600 -0.176 0.000 1.116 260 S CA -0.586 57.495 58.200 -0.197 0.000 1.078 260 S CB 0.525 63.652 63.200 -0.121 0.000 0.997 260 S HN 0.429 nan 8.310 nan 0.000 0.477 261 I N 4.427 124.769 120.570 -0.381 0.000 2.363 261 I HA 0.215 4.400 4.170 0.025 0.000 0.292 261 I C 0.252 176.287 176.117 -0.135 0.000 1.075 261 I CA 0.044 61.157 61.300 -0.311 0.000 1.333 261 I CB 0.966 38.538 38.000 -0.713 0.000 1.415 261 I HN 0.452 nan 8.210 nan 0.000 0.502 262 S N 4.141 119.885 115.700 0.075 0.000 2.451 262 S HA 0.469 4.954 4.470 0.025 0.000 0.301 262 S C 0.894 175.575 174.600 0.136 0.000 1.116 262 S CA -0.603 57.687 58.200 0.150 0.000 1.093 262 S CB 1.820 65.257 63.200 0.395 0.000 1.017 262 S HN 0.836 nan 8.310 nan 0.000 0.482 263 G N 0.579 109.406 108.800 0.045 0.000 2.848 263 G HA2 0.001 3.976 3.960 0.025 0.000 0.213 263 G HA3 0.001 3.976 3.960 0.025 0.000 0.213 263 G C 0.917 175.786 174.900 -0.050 0.000 1.101 263 G CA -0.140 45.046 45.100 0.145 0.000 0.778 263 G HN 0.698 nan 8.290 nan 0.000 0.536 264 Y N 2.162 122.141 120.300 -0.535 0.000 2.069 264 Y HA -0.338 4.225 4.550 0.021 0.000 0.278 264 Y C 2.716 178.292 175.900 -0.540 0.000 1.175 264 Y CA 2.635 60.261 58.100 -0.790 0.000 1.134 264 Y CB -0.255 37.095 38.460 -1.850 0.000 0.965 264 Y HN 0.423 nan 8.280 nan 0.000 0.498 265 H N -1.216 117.750 119.070 -0.173 0.000 2.423 265 H HA -0.119 4.453 4.556 0.027 0.000 0.297 265 H C 2.167 177.408 175.328 -0.145 0.000 1.075 265 H CA 1.752 57.727 56.048 -0.121 0.000 1.342 265 H CB -0.444 29.331 29.762 0.022 0.000 1.395 265 H HN 0.389 nan 8.280 nan 0.000 0.530 266 M N 0.224 119.828 119.600 0.006 0.000 2.132 266 M HA -0.203 4.292 4.480 0.025 0.000 0.263 266 M C 2.427 178.656 176.300 -0.118 0.000 1.065 266 M CA 1.629 56.929 55.300 -0.000 0.000 1.122 266 M CB -0.209 32.439 32.600 0.080 0.000 1.365 266 M HN 0.335 nan 8.290 nan 0.000 0.411 267 Q N 0.687 120.362 119.800 -0.208 0.000 2.050 267 Q HA -0.198 4.157 4.340 0.025 0.000 0.202 267 Q C 1.799 177.584 176.000 -0.359 0.000 0.980 267 Q CA 1.357 56.993 55.803 -0.278 0.000 0.840 267 Q CB 0.097 28.660 28.738 -0.292 0.000 0.898 267 Q HN 0.366 nan 8.270 nan 0.000 0.424 268 E N 0.156 120.107 120.200 -0.414 0.000 2.160 268 E HA -0.181 4.184 4.350 0.025 0.000 0.195 268 E C 1.680 178.123 176.600 -0.262 0.000 0.991 268 E CA 1.202 57.406 56.400 -0.326 0.000 0.810 268 E CB -0.214 29.316 29.700 -0.284 0.000 0.742 268 E HN 0.501 nan 8.360 nan 0.000 0.466 269 A N -0.402 122.305 122.820 -0.189 0.000 2.167 269 A HA 0.249 4.584 4.320 0.025 0.000 0.214 269 A C 1.730 179.198 177.584 -0.193 0.000 1.151 269 A CA 1.345 53.306 52.037 -0.127 0.000 0.735 269 A CB 0.097 19.071 19.000 -0.043 0.000 0.802 269 A HN 0.319 nan 8.150 nan 0.000 0.467 270 G N -2.602 106.023 108.800 -0.291 0.000 2.227 270 G HA2 0.225 4.200 3.960 0.025 0.000 0.168 270 G HA3 0.225 4.200 3.960 0.025 0.000 0.168 270 G C 0.334 175.099 174.900 -0.225 0.000 1.006 270 G CA -0.037 44.872 45.100 -0.319 0.000 0.684 270 G HN 1.376 nan 8.290 nan 0.000 0.489 271 A N 1.216 123.931 122.820 -0.175 0.000 2.488 271 A HA 0.526 4.861 4.320 0.025 0.000 0.249 271 A C 0.769 178.247 177.584 -0.176 0.000 1.083 271 A CA 0.756 52.709 52.037 -0.140 0.000 0.768 271 A CB 0.003 18.949 19.000 -0.090 0.000 1.017 271 A HN 0.900 nan 8.150 nan 0.000 0.496 272 D N 2.005 122.305 120.400 -0.168 0.000 2.393 272 D HA 0.374 5.029 4.640 0.025 0.000 0.246 272 D C 1.169 177.359 176.300 -0.183 0.000 1.275 272 D CA 0.156 54.056 54.000 -0.167 0.000 0.979 272 D CB 0.451 41.163 40.800 -0.146 0.000 1.101 272 D HN 0.411 nan 8.370 nan 0.000 0.505 273 A N -0.144 122.565 122.820 -0.184 0.000 1.972 273 A HA -0.119 4.217 4.320 0.025 0.000 0.219 273 A C 2.172 179.621 177.584 -0.225 0.000 1.169 273 A CA 1.111 53.021 52.037 -0.212 0.000 0.635 273 A CB -0.747 18.122 19.000 -0.218 0.000 0.810 273 A HN 0.568 nan 8.150 nan 0.000 0.446 274 I N -0.124 120.319 120.570 -0.212 0.000 2.233 274 I HA -0.158 4.027 4.170 0.025 0.000 0.243 274 I C 2.450 178.403 176.117 -0.274 0.000 1.093 274 I CA 0.976 62.148 61.300 -0.213 0.000 1.380 274 I CB -1.504 36.386 38.000 -0.183 0.000 1.067 274 I HN 0.280 nan 8.210 nan 0.000 0.413 275 L N 0.321 121.339 121.223 -0.342 0.000 2.046 275 L HA -0.205 4.150 4.340 0.025 0.000 0.208 275 L C 2.582 179.204 176.870 -0.414 0.000 1.077 275 L CA 1.410 55.888 54.840 -0.603 0.000 0.747 275 L CB -0.601 41.130 42.059 -0.546 0.000 0.896 275 L HN 0.322 nan 8.230 nan 0.000 0.432 276 E N 0.524 120.604 120.200 -0.199 0.000 2.038 276 E HA -0.282 4.083 4.350 0.025 0.000 0.195 276 E C 2.229 178.873 176.600 0.073 0.000 1.000 276 E CA 1.430 57.811 56.400 -0.031 0.000 0.803 276 E CB -0.033 29.637 29.700 -0.049 0.000 0.750 276 E HN 0.253 nan 8.360 nan 0.000 0.448 277 L N 0.972 122.151 121.223 -0.073 0.000 1.994 277 L HA -0.101 4.254 4.340 0.025 0.000 0.208 277 L C 2.329 179.258 176.870 0.099 0.000 1.071 277 L CA 2.379 57.196 54.840 -0.039 0.000 0.745 277 L CB -1.009 40.923 42.059 -0.212 0.000 0.892 277 L HN 0.192 nan 8.230 nan 0.000 0.431 278 A N -1.311 121.506 122.820 -0.006 0.000 1.883 278 A HA -0.245 4.090 4.320 0.025 0.000 0.217 278 A C 2.173 179.924 177.584 0.277 0.000 1.186 278 A CA 1.992 54.072 52.037 0.073 0.000 0.624 278 A CB -1.097 17.878 19.000 -0.043 0.000 0.822 278 A HN 0.557 nan 8.150 nan 0.000 0.444 279 Y N 0.674 121.038 120.300 0.107 0.000 2.263 279 Y HA -0.077 4.489 4.550 0.026 0.000 0.292 279 Y C 2.939 178.939 175.900 0.166 0.000 1.130 279 Y CA 1.090 59.258 58.100 0.114 0.000 1.179 279 Y CB -1.531 36.980 38.460 0.086 0.000 0.998 279 Y HN 0.300 nan 8.280 nan 0.000 0.532 280 T N 0.719 115.505 114.554 0.387 0.000 2.777 280 T HA -0.118 4.247 4.350 0.025 0.000 0.266 280 T C 2.208 177.138 174.700 0.384 0.000 1.040 280 T CA 1.157 63.477 62.100 0.367 0.000 1.141 280 T CB -0.505 68.624 68.868 0.434 0.000 0.868 280 T HN 0.203 nan 8.240 nan 0.000 0.444 281 L N 0.666 122.131 121.223 0.402 0.000 2.093 281 L HA 0.007 4.362 4.340 0.025 0.000 0.208 281 L C 3.050 180.204 176.870 0.473 0.000 1.085 281 L CA 1.065 56.187 54.840 0.470 0.000 0.755 281 L CB -0.723 41.605 42.059 0.447 0.000 0.904 281 L HN 0.251 nan 8.230 nan 0.000 0.435 282 A N -0.129 122.894 122.820 0.339 0.000 1.930 282 A HA -0.198 4.138 4.320 0.025 0.000 0.217 282 A C 1.873 179.568 177.584 0.184 0.000 1.175 282 A CA 1.638 53.827 52.037 0.253 0.000 0.627 282 A CB -0.401 18.717 19.000 0.196 0.000 0.815 282 A HN 0.300 nan 8.150 nan 0.000 0.443 283 D N -0.014 120.480 120.400 0.156 0.000 2.123 283 D HA -0.108 4.547 4.640 0.025 0.000 0.196 283 D C 2.081 178.405 176.300 0.040 0.000 0.992 283 D CA 1.565 55.557 54.000 -0.013 0.000 0.833 283 D CB -0.718 40.134 40.800 0.085 0.000 0.954 283 D HN 0.420 nan 8.370 nan 0.000 0.455 284 G N 0.600 109.613 108.800 0.355 0.000 2.440 284 G HA2 -0.206 3.769 3.960 0.025 0.000 0.218 284 G HA3 -0.206 3.769 3.960 0.025 0.000 0.218 284 G C 1.775 177.084 174.900 0.682 0.000 1.154 284 G CA 0.370 45.816 45.100 0.577 0.000 0.767 284 G HN 0.268 nan 8.290 nan 0.000 0.552 285 L N -0.109 121.457 121.223 0.571 0.000 2.093 285 L HA -0.031 4.324 4.340 0.025 0.000 0.208 285 L C 2.768 179.836 176.870 0.330 0.000 1.085 285 L CA 1.397 56.507 54.840 0.449 0.000 0.755 285 L CB -0.323 41.946 42.059 0.350 0.000 0.904 285 L HN 0.231 nan 8.230 nan 0.000 0.435 286 E N -0.121 120.177 120.200 0.164 0.000 2.047 286 E HA -0.220 4.146 4.350 0.025 0.000 0.191 286 E C 2.068 178.725 176.600 0.096 0.000 0.987 286 E CA 1.530 57.954 56.400 0.040 0.000 0.799 286 E CB -0.216 29.396 29.700 -0.146 0.000 0.752 286 E HN 0.350 nan 8.360 nan 0.000 0.449 287 Y N 0.385 120.835 120.300 0.250 0.000 2.256 287 Y HA -0.108 4.456 4.550 0.025 0.000 0.288 287 Y C 2.597 178.610 175.900 0.189 0.000 1.155 287 Y CA 1.270 59.554 58.100 0.307 0.000 1.203 287 Y CB -0.659 38.046 38.460 0.408 0.000 0.980 287 Y HN 0.022 nan 8.280 nan 0.000 0.530 288 S N -0.436 115.444 115.700 0.300 0.000 2.368 288 S HA -0.134 4.352 4.470 0.025 0.000 0.224 288 S C 2.056 176.566 174.600 -0.151 0.000 1.029 288 S CA 0.854 59.002 58.200 -0.087 0.000 0.988 288 S CB -0.165 62.832 63.200 -0.339 0.000 0.838 288 S HN 0.424 nan 8.310 nan 0.000 0.462 289 R N 0.678 121.270 120.500 0.153 0.000 2.105 289 R HA -0.062 4.293 4.340 0.025 0.000 0.239 289 R C 2.297 178.634 176.300 0.063 0.000 1.135 289 R CA 1.647 57.854 56.100 0.178 0.000 0.967 289 R CB -0.717 29.694 30.300 0.185 0.000 0.861 289 R HN 0.340 nan 8.270 nan 0.000 0.442 290 T N -0.235 114.366 114.554 0.078 0.000 2.821 290 T HA -0.071 4.294 4.350 0.025 0.000 0.267 290 T C 1.889 176.626 174.700 0.061 0.000 1.046 290 T CA 1.278 63.442 62.100 0.107 0.000 1.139 290 T CB -0.431 68.576 68.868 0.231 0.000 0.871 290 T HN 0.508 nan 8.240 nan 0.000 0.454 291 G N 2.067 110.701 108.800 -0.278 0.000 2.529 291 G HA2 -0.217 3.758 3.960 0.025 0.000 0.219 291 G HA3 -0.217 3.758 3.960 0.025 0.000 0.219 291 G C 1.466 176.203 174.900 -0.271 0.000 1.177 291 G CA 0.798 45.470 45.100 -0.713 0.000 0.773 291 G HN 0.445 nan 8.290 nan 0.000 0.573 292 L N 0.016 121.130 121.223 -0.181 0.000 2.012 292 L HA -0.179 4.176 4.340 0.025 0.000 0.210 292 L C 2.997 179.867 176.870 0.001 0.000 1.073 292 L CA 1.803 56.620 54.840 -0.037 0.000 0.748 292 L CB -0.719 41.370 42.059 0.051 0.000 0.891 292 L HN 0.373 nan 8.230 nan 0.000 0.431 293 Q N 0.446 120.255 119.800 0.014 0.000 2.152 293 Q HA -0.229 4.126 4.340 0.025 0.000 0.206 293 Q C 1.997 178.018 176.000 0.035 0.000 0.985 293 Q CA 1.819 57.637 55.803 0.026 0.000 0.863 293 Q CB -0.059 28.696 28.738 0.028 0.000 0.904 293 Q HN 0.531 nan 8.270 nan 0.000 0.422 294 A N -0.509 122.341 122.820 0.050 0.000 2.235 294 A HA 0.236 4.571 4.320 0.025 0.000 0.208 294 A C 1.408 179.027 177.584 0.058 0.000 1.172 294 A CA 0.908 52.993 52.037 0.080 0.000 0.786 294 A CB -0.448 18.655 19.000 0.172 0.000 0.804 294 A HN 0.668 nan 8.150 nan 0.000 0.479 295 G N -1.545 107.274 108.800 0.033 0.000 2.157 295 G HA2 -0.192 3.783 3.960 0.025 0.000 0.239 295 G HA3 -0.192 3.783 3.960 0.025 0.000 0.239 295 G C 0.013 174.927 174.900 0.024 0.000 0.982 295 G CA 0.213 45.330 45.100 0.028 0.000 0.650 295 G HN 0.445 nan 8.290 nan 0.000 0.527 296 L N 1.643 122.874 121.223 0.013 0.000 2.357 296 L HA 0.618 4.973 4.340 0.025 0.000 0.273 296 L C 1.390 178.268 176.870 0.014 0.000 1.080 296 L CA -0.336 54.514 54.840 0.018 0.000 0.803 296 L CB 1.297 43.370 42.059 0.022 0.000 1.174 296 L HN 0.346 nan 8.230 nan 0.000 0.443 297 T N -1.594 112.983 114.554 0.038 0.000 2.882 297 T HA 0.146 4.511 4.350 0.025 0.000 0.287 297 T C 1.064 175.802 174.700 0.063 0.000 1.014 297 T CA -0.612 61.517 62.100 0.048 0.000 1.049 297 T CB 1.286 70.184 68.868 0.050 0.000 1.001 297 T HN 0.476 nan 8.240 nan 0.000 0.525 298 I N 0.725 121.331 120.570 0.058 0.000 2.315 298 I HA -0.146 4.039 4.170 0.025 0.000 0.251 298 I C 1.710 177.871 176.117 0.073 0.000 1.125 298 I CA 1.622 62.950 61.300 0.046 0.000 1.392 298 I CB -0.543 37.468 38.000 0.018 0.000 1.065 298 I HN 0.688 nan 8.210 nan 0.000 0.424 299 D N 0.036 120.474 120.400 0.063 0.000 2.234 299 D HA -0.123 4.532 4.640 0.025 0.000 0.205 299 D C 1.992 178.317 176.300 0.043 0.000 0.962 299 D CA 0.905 54.934 54.000 0.050 0.000 0.855 299 D CB 0.024 40.852 40.800 0.046 0.000 0.951 299 D HN 0.545 nan 8.370 nan 0.000 0.500 300 E N -0.426 119.809 120.200 0.058 0.000 2.158 300 E HA -0.090 4.275 4.350 0.025 0.000 0.191 300 E C 1.595 178.235 176.600 0.067 0.000 0.982 300 E CA 0.342 56.775 56.400 0.054 0.000 0.823 300 E CB 0.047 29.782 29.700 0.058 0.000 0.766 300 E HN 0.180 nan 8.360 nan 0.000 0.468 301 F N 1.199 121.095 119.950 -0.090 0.000 2.220 301 F HA 0.156 4.698 4.527 0.026 0.000 0.290 301 F C 2.132 177.853 175.800 -0.132 0.000 1.080 301 F CA 0.981 58.886 58.000 -0.157 0.000 1.318 301 F CB -0.454 38.426 39.000 -0.201 0.000 1.063 301 F HN -0.072 nan 8.300 nan 0.000 0.498 302 A N 1.188 123.894 122.820 -0.191 0.000 1.892 302 A HA -0.151 4.185 4.320 0.025 0.000 0.218 302 A C -0.286 177.174 177.584 -0.206 0.000 1.188 302 A CA 2.025 53.942 52.037 -0.201 0.000 0.631 302 A CB -2.282 16.718 19.000 -0.000 0.000 0.822 302 A HN 0.375 nan 8.150 nan 0.000 0.447 303 P HA -0.094 nan 4.420 nan 0.000 0.228 303 P C 1.082 178.288 177.300 -0.156 0.000 1.151 303 P CA 0.768 63.807 63.100 -0.101 0.000 0.770 303 P CB 0.023 31.690 31.700 -0.055 0.000 0.786 304 R N -1.348 118.989 120.500 -0.272 0.000 2.334 304 R HA 0.227 4.582 4.340 0.025 0.000 0.216 304 R C 0.691 176.771 176.300 -0.367 0.000 0.905 304 R CA -0.017 55.910 56.100 -0.289 0.000 1.064 304 R CB -0.252 29.871 30.300 -0.294 0.000 1.046 304 R HN 0.313 nan 8.270 nan 0.000 0.508 305 L N 1.503 122.477 121.223 -0.416 0.000 2.350 305 L HA 0.212 4.567 4.340 0.025 0.000 0.275 305 L C 0.578 177.267 176.870 -0.302 0.000 1.099 305 L CA -0.177 54.402 54.840 -0.434 0.000 0.808 305 L CB 1.337 43.144 42.059 -0.419 0.000 1.149 305 L HN 0.056 nan 8.230 nan 0.000 0.442 306 S N 1.067 116.525 115.700 -0.404 0.000 2.625 306 S HA 0.737 5.223 4.470 0.025 0.000 0.271 306 S C -1.152 173.115 174.600 -0.555 0.000 1.161 306 S CA -0.843 57.191 58.200 -0.278 0.000 0.820 306 S CB 1.691 64.808 63.200 -0.138 0.000 1.137 306 S HN 0.251 nan 8.310 nan 0.000 0.470 307 F N 0.651 120.418 119.950 -0.305 0.000 2.593 307 F HA 0.794 5.335 4.527 0.024 0.000 0.320 307 F C -0.802 174.806 175.800 -0.320 0.000 1.060 307 F CA -1.003 56.724 58.000 -0.455 0.000 0.940 307 F CB 1.949 40.454 39.000 -0.825 0.000 1.268 307 F HN 0.659 nan 8.300 nan 0.000 0.475 308 F N 2.514 122.248 119.950 -0.360 0.000 2.716 308 F HA 0.454 4.994 4.527 0.022 0.000 0.354 308 F C -1.778 173.945 175.800 -0.129 0.000 1.168 308 F CA -1.907 55.990 58.000 -0.172 0.000 1.045 308 F CB 0.517 39.499 39.000 -0.030 0.000 1.311 308 F HN 0.452 nan 8.300 nan 0.000 0.477 309 W N 4.180 125.607 121.300 0.212 0.000 2.449 309 W HA 0.649 5.323 4.660 0.023 0.000 0.331 309 W C 0.670 177.169 176.519 -0.034 0.000 1.119 309 W CA -1.215 56.131 57.345 0.002 0.000 1.240 309 W CB 1.675 31.144 29.460 0.015 0.000 1.251 309 W HN 0.849 nan 8.180 nan 0.000 0.576 310 G N 2.378 111.299 108.800 0.201 0.000 2.448 310 G HA2 0.583 4.558 3.960 0.025 0.000 0.285 310 G HA3 0.583 4.558 3.960 0.025 0.000 0.285 310 G C -1.013 173.936 174.900 0.082 0.000 1.176 310 G CA -0.599 44.585 45.100 0.141 0.000 0.852 310 G HN 0.348 nan 8.290 nan 0.000 0.530 311 I N 2.196 122.814 120.570 0.080 0.000 2.476 311 I HA 0.332 4.517 4.170 0.025 0.000 0.281 311 I C 0.807 176.948 176.117 0.041 0.000 1.040 311 I CA -0.409 60.906 61.300 0.025 0.000 1.094 311 I CB 0.830 38.840 38.000 0.017 0.000 1.219 311 I HN 0.610 nan 8.210 nan 0.000 0.450 312 G N 5.346 114.160 108.800 0.024 0.000 2.641 312 G HA2 0.421 4.397 3.960 0.025 0.000 0.239 312 G HA3 0.421 4.397 3.960 0.025 0.000 0.239 312 G C 0.642 175.593 174.900 0.084 0.000 1.402 312 G CA -0.358 44.786 45.100 0.074 0.000 1.046 312 G HN 0.380 nan 8.290 nan 0.000 0.565 313 M N 0.438 120.108 119.600 0.116 0.000 2.556 313 M HA 0.129 4.625 4.480 0.025 0.000 0.245 313 M C 0.837 177.214 176.300 0.129 0.000 1.128 313 M CA 0.048 55.420 55.300 0.120 0.000 1.069 313 M CB -0.703 31.968 32.600 0.118 0.000 1.469 313 M HN 0.382 nan 8.290 nan 0.000 0.494 314 N N 1.208 119.978 118.700 0.117 0.000 2.549 314 N HA -0.034 4.722 4.740 0.025 0.000 0.267 314 N C 0.566 176.131 175.510 0.091 0.000 1.182 314 N CA -0.041 53.094 53.050 0.142 0.000 1.019 314 N CB 0.049 38.607 38.487 0.119 0.000 1.380 314 N HN 0.116 nan 8.380 nan 0.000 0.505 315 F N 4.184 124.080 119.950 -0.090 0.000 2.069 315 F HA -0.224 4.317 4.527 0.023 0.000 0.298 315 F C 1.149 176.850 175.800 -0.165 0.000 1.113 315 F CA 1.609 59.516 58.000 -0.156 0.000 1.214 315 F CB -0.226 38.620 39.000 -0.258 0.000 0.978 315 F HN 0.513 nan 8.300 nan 0.000 0.474 316 Y N -0.932 119.413 120.300 0.076 0.000 2.145 316 Y HA -0.313 4.256 4.550 0.032 0.000 0.286 316 Y C 2.522 178.255 175.900 -0.278 0.000 1.145 316 Y CA 1.031 59.015 58.100 -0.194 0.000 1.148 316 Y CB -0.526 37.909 38.460 -0.041 0.000 0.981 316 Y HN 0.186 nan 8.280 nan 0.000 0.507 317 M N 0.473 120.054 119.600 -0.032 0.000 2.159 317 M HA -0.201 4.294 4.480 0.025 0.000 0.263 317 M C 1.810 177.988 176.300 -0.204 0.000 1.063 317 M CA 1.708 56.923 55.300 -0.141 0.000 1.110 317 M CB -0.220 32.292 32.600 -0.146 0.000 1.374 317 M HN 0.054 nan 8.290 nan 0.000 0.411 318 E N -0.017 120.058 120.200 -0.208 0.000 2.072 318 E HA -0.121 4.244 4.350 0.025 0.000 0.191 318 E C 2.173 178.595 176.600 -0.297 0.000 0.985 318 E CA 1.538 57.789 56.400 -0.248 0.000 0.801 318 E CB -0.474 29.107 29.700 -0.198 0.000 0.750 318 E HN 0.603 nan 8.360 nan 0.000 0.452 319 I N 1.341 121.701 120.570 -0.351 0.000 2.127 319 I HA -0.275 3.910 4.170 0.025 0.000 0.241 319 I C 2.576 178.521 176.117 -0.287 0.000 1.075 319 I CA 1.270 62.362 61.300 -0.347 0.000 1.334 319 I CB -0.449 37.232 38.000 -0.531 0.000 1.040 319 I HN -0.004 nan 8.210 nan 0.000 0.405 320 A N 0.647 123.295 122.820 -0.287 0.000 1.902 320 A HA -0.269 4.066 4.320 0.025 0.000 0.217 320 A C 2.403 179.853 177.584 -0.224 0.000 1.181 320 A CA 1.932 53.830 52.037 -0.232 0.000 0.623 320 A CB -0.598 18.271 19.000 -0.218 0.000 0.818 320 A HN 0.367 nan 8.150 nan 0.000 0.443 321 K N -0.800 119.431 120.400 -0.281 0.000 2.044 321 K HA -0.181 4.154 4.320 0.025 0.000 0.210 321 K C 2.057 178.399 176.600 -0.431 0.000 1.049 321 K CA 2.032 58.096 56.287 -0.371 0.000 0.927 321 K CB -0.266 31.960 32.500 -0.458 0.000 0.713 321 K HN 0.544 nan 8.250 nan 0.000 0.443 322 M N -0.239 119.128 119.600 -0.388 0.000 2.200 322 M HA -0.110 4.385 4.480 0.025 0.000 0.265 322 M C 2.165 178.396 176.300 -0.115 0.000 1.066 322 M CA 1.433 56.555 55.300 -0.296 0.000 1.127 322 M CB -0.098 32.397 32.600 -0.175 0.000 1.379 322 M HN 0.106 nan 8.290 nan 0.000 0.420 323 R N 0.209 120.647 120.500 -0.103 0.000 2.073 323 R HA 0.029 4.384 4.340 0.025 0.000 0.229 323 R C 2.393 178.696 176.300 0.005 0.000 1.120 323 R CA 1.336 57.417 56.100 -0.031 0.000 0.967 323 R CB -0.466 29.805 30.300 -0.047 0.000 0.862 323 R HN 0.321 nan 8.270 nan 0.000 0.436 324 A N 0.922 123.727 122.820 -0.024 0.000 1.930 324 A HA -0.042 4.293 4.320 0.025 0.000 0.217 324 A C 2.372 180.013 177.584 0.095 0.000 1.175 324 A CA 1.594 53.669 52.037 0.063 0.000 0.627 324 A CB -1.104 17.910 19.000 0.024 0.000 0.815 324 A HN 0.448 nan 8.150 nan 0.000 0.443 325 G N -0.244 108.548 108.800 -0.013 0.000 2.476 325 G HA2 -0.274 3.701 3.960 0.025 0.000 0.218 325 G HA3 -0.274 3.701 3.960 0.025 0.000 0.218 325 G C 1.769 176.758 174.900 0.148 0.000 1.164 325 G CA 0.989 46.112 45.100 0.038 0.000 0.768 325 G HN 0.569 nan 8.290 nan 0.000 0.560 326 R N -0.267 120.316 120.500 0.139 0.000 2.083 326 R HA -0.037 4.318 4.340 0.025 0.000 0.237 326 R C 2.683 179.162 176.300 0.298 0.000 1.137 326 R CA 1.305 57.525 56.100 0.200 0.000 0.951 326 R CB -0.358 30.046 30.300 0.173 0.000 0.851 326 R HN 0.285 nan 8.270 nan 0.000 0.434 327 R N 0.745 121.405 120.500 0.266 0.000 2.081 327 R HA -0.150 4.206 4.340 0.025 0.000 0.235 327 R C 2.226 178.786 176.300 0.434 0.000 1.131 327 R CA 1.254 57.533 56.100 0.299 0.000 0.960 327 R CB -0.248 30.173 30.300 0.201 0.000 0.856 327 R HN 0.106 nan 8.270 nan 0.000 0.436 328 L N 0.447 121.925 121.223 0.426 0.000 2.027 328 L HA -0.177 4.178 4.340 0.025 0.000 0.206 328 L C 2.029 179.104 176.870 0.343 0.000 1.074 328 L CA 1.737 56.753 54.840 0.294 0.000 0.745 328 L CB -0.872 41.200 42.059 0.021 0.000 0.898 328 L HN 0.362 nan 8.230 nan 0.000 0.433 329 W N 0.094 121.478 121.300 0.139 0.000 2.358 329 W HA -0.257 4.420 4.660 0.027 0.000 0.303 329 W C 2.182 178.812 176.519 0.185 0.000 1.208 329 W CA 1.820 59.241 57.345 0.127 0.000 1.274 329 W CB -0.097 29.370 29.460 0.011 0.000 1.138 329 W HN 0.340 nan 8.180 nan 0.000 0.515 330 A N -0.244 122.750 122.820 0.289 0.000 1.902 330 A HA -0.311 4.024 4.320 0.025 0.000 0.217 330 A C 1.705 179.380 177.584 0.151 0.000 1.181 330 A CA 2.170 54.339 52.037 0.220 0.000 0.623 330 A CB -1.513 17.727 19.000 0.401 0.000 0.818 330 A HN 0.587 nan 8.150 nan 0.000 0.443 331 H N -0.125 119.023 119.070 0.131 0.000 2.319 331 H HA -0.041 4.530 4.556 0.025 0.000 0.299 331 H C 1.703 177.056 175.328 0.041 0.000 1.092 331 H CA 2.120 58.234 56.048 0.110 0.000 1.302 331 H CB -0.291 29.600 29.762 0.215 0.000 1.373 331 H HN 0.356 nan 8.280 nan 0.000 0.497 332 L N -0.273 120.922 121.223 -0.046 0.000 2.072 332 L HA -0.126 4.229 4.340 0.025 0.000 0.205 332 L C 2.322 179.082 176.870 -0.183 0.000 1.079 332 L CA 0.567 55.310 54.840 -0.160 0.000 0.752 332 L CB -0.266 41.781 42.059 -0.020 0.000 0.906 332 L HN 0.354 nan 8.230 nan 0.000 0.436 333 I N -0.006 120.406 120.570 -0.264 0.000 2.226 333 I HA -0.248 3.937 4.170 0.025 0.000 0.245 333 I C 2.576 178.688 176.117 -0.008 0.000 1.100 333 I CA 1.327 62.539 61.300 -0.148 0.000 1.374 333 I CB -0.970 36.785 38.000 -0.409 0.000 1.057 333 I HN 0.322 nan 8.210 nan 0.000 0.413 334 E N 1.791 121.955 120.200 -0.060 0.000 2.031 334 E HA -0.259 4.106 4.350 0.025 0.000 0.193 334 E C 2.232 178.785 176.600 -0.078 0.000 0.994 334 E CA 1.779 58.160 56.400 -0.032 0.000 0.800 334 E CB -0.282 29.408 29.700 -0.018 0.000 0.752 334 E HN 0.349 nan 8.360 nan 0.000 0.447 335 K N -0.706 119.589 120.400 -0.174 0.000 2.097 335 K HA -0.108 4.227 4.320 0.025 0.000 0.206 335 K C 1.971 178.449 176.600 -0.203 0.000 1.049 335 K CA 1.735 57.898 56.287 -0.208 0.000 0.933 335 K CB -0.068 32.223 32.500 -0.347 0.000 0.717 335 K HN 0.235 nan 8.250 nan 0.000 0.442 336 M N -1.346 118.102 119.600 -0.253 0.000 2.516 336 M HA 0.108 4.603 4.480 0.025 0.000 0.259 336 M C 0.551 176.435 176.300 -0.692 0.000 1.146 336 M CA 0.581 55.587 55.300 -0.490 0.000 1.122 336 M CB 0.602 32.818 32.600 -0.640 0.000 1.341 336 M HN 0.032 nan 8.290 nan 0.000 0.478 337 F N -0.592 119.312 119.950 -0.077 0.000 2.831 337 F HA 0.227 4.769 4.527 0.025 0.000 0.334 337 F C 0.080 175.861 175.800 -0.031 0.000 1.071 337 F CA -0.524 57.449 58.000 -0.046 0.000 1.172 337 F CB 0.256 39.230 39.000 -0.043 0.000 1.054 337 F HN -0.056 nan 8.300 nan 0.000 0.572 338 Q N 1.470 121.322 119.800 0.087 0.000 2.439 338 Q HA -0.179 4.176 4.340 0.025 0.000 0.361 338 Q C -2.486 173.561 176.000 0.078 0.000 1.408 338 Q CA 0.109 55.945 55.803 0.055 0.000 1.052 338 Q CB -1.622 27.131 28.738 0.024 0.000 1.233 338 Q HN 0.190 nan 8.270 nan 0.000 0.347 339 P HA -0.040 nan 4.420 nan 0.000 0.272 339 P C -0.078 177.258 177.300 0.060 0.000 1.223 339 P CA 0.039 63.185 63.100 0.076 0.000 0.784 339 P CB 0.894 32.637 31.700 0.071 0.000 0.923 340 K N 0.437 120.870 120.400 0.055 0.000 2.305 340 K HA 0.073 4.408 4.320 0.025 0.000 0.199 340 K C 0.293 176.924 176.600 0.052 0.000 1.047 340 K CA 0.635 56.950 56.287 0.047 0.000 0.976 340 K CB 0.003 32.527 32.500 0.041 0.000 0.765 340 K HN 0.448 nan 8.250 nan 0.000 0.474 341 N N 0.108 118.843 118.700 0.059 0.000 2.372 341 N HA 0.108 4.863 4.740 0.025 0.000 0.291 341 N C 0.113 175.677 175.510 0.090 0.000 1.024 341 N CA -0.172 52.918 53.050 0.067 0.000 0.873 341 N CB 1.912 40.434 38.487 0.058 0.000 1.206 341 N HN -0.226 nan 8.380 nan 0.000 0.486 342 S N 1.583 117.349 115.700 0.111 0.000 2.392 342 S HA -0.176 4.310 4.470 0.025 0.000 0.232 342 S C 1.465 176.171 174.600 0.176 0.000 1.041 342 S CA 1.404 59.711 58.200 0.178 0.000 1.026 342 S CB -0.006 63.313 63.200 0.199 0.000 0.845 342 S HN 0.524 nan 8.310 nan 0.000 0.465 343 K N 0.891 121.356 120.400 0.109 0.000 2.209 343 K HA 0.031 4.367 4.320 0.025 0.000 0.204 343 K C 2.042 178.658 176.600 0.028 0.000 1.048 343 K CA 1.143 57.461 56.287 0.051 0.000 0.940 343 K CB -0.163 32.369 32.500 0.054 0.000 0.729 343 K HN 0.190 nan 8.250 nan 0.000 0.451 344 S N 1.155 116.890 115.700 0.057 0.000 2.507 344 S HA 0.005 4.490 4.470 0.025 0.000 0.235 344 S C 1.470 176.120 174.600 0.084 0.000 0.988 344 S CA 0.686 58.922 58.200 0.060 0.000 0.944 344 S CB -0.033 63.200 63.200 0.054 0.000 0.762 344 S HN 0.241 nan 8.310 nan 0.000 0.526 345 L N 0.765 122.041 121.223 0.090 0.000 2.592 345 L HA 0.272 4.628 4.340 0.025 0.000 0.227 345 L C 0.150 177.081 176.870 0.103 0.000 1.127 345 L CA 0.006 54.922 54.840 0.127 0.000 0.884 345 L CB -0.206 42.028 42.059 0.291 0.000 1.065 345 L HN 0.186 nan 8.230 nan 0.000 0.457 346 L N 1.067 122.246 121.223 -0.073 0.000 2.426 346 L HA 0.179 4.535 4.340 0.025 0.000 0.271 346 L C -0.217 176.685 176.870 0.054 0.000 1.169 346 L CA 0.082 54.762 54.840 -0.268 0.000 0.836 346 L CB 1.172 43.013 42.059 -0.364 0.000 1.112 346 L HN 0.093 nan 8.230 nan 0.000 0.465 347 L N 4.319 125.504 121.223 -0.064 0.000 2.324 347 L HA 0.423 4.778 4.340 0.025 0.000 0.274 347 L C -0.492 176.325 176.870 -0.088 0.000 1.012 347 L CA -0.414 54.344 54.840 -0.138 0.000 0.859 347 L CB 0.580 42.463 42.059 -0.292 0.000 1.224 347 L HN 0.619 nan 8.230 nan 0.000 0.429 348 R N 3.917 124.426 120.500 0.015 0.000 2.294 348 R HA 0.739 5.095 4.340 0.025 0.000 0.319 348 R C -0.687 175.674 176.300 0.102 0.000 0.984 348 R CA -0.394 55.739 56.100 0.055 0.000 0.861 348 R CB 1.788 32.134 30.300 0.076 0.000 1.104 348 R HN 0.628 nan 8.270 nan 0.000 0.451 349 A N 2.151 125.045 122.820 0.123 0.000 2.371 349 A HA 0.336 4.671 4.320 0.025 0.000 0.311 349 A C -1.419 176.279 177.584 0.190 0.000 1.068 349 A CA -0.701 51.400 52.037 0.108 0.000 0.744 349 A CB 1.044 20.134 19.000 0.150 0.000 1.239 349 A HN 0.825 nan 8.150 nan 0.000 0.435 350 H N 0.348 119.461 119.070 0.072 0.000 2.487 350 H HA 0.620 5.192 4.556 0.026 0.000 0.333 350 H C -0.757 174.716 175.328 0.242 0.000 1.114 350 H CA -0.353 55.756 56.048 0.101 0.000 1.310 350 H CB 1.029 30.756 29.762 -0.059 0.000 1.462 350 H HN 0.676 nan 8.280 nan 0.000 0.516 351 C N 4.408 123.501 119.300 -0.345 0.000 2.561 351 C HA 0.431 4.906 4.460 0.025 0.000 0.319 351 C C -0.539 174.253 174.990 -0.330 0.000 1.198 351 C CA -0.648 58.301 59.018 -0.115 0.000 1.665 351 C CB 1.345 29.099 27.740 0.024 0.000 2.258 351 C HN 0.845 nan 8.230 nan 0.000 0.493 352 Q N 1.253 121.063 119.800 0.016 0.000 2.340 352 Q HA 0.502 4.857 4.340 0.025 0.000 0.268 352 Q C -0.100 175.965 176.000 0.108 0.000 1.031 352 Q CA -0.138 55.650 55.803 -0.025 0.000 0.804 352 Q CB 1.747 30.352 28.738 -0.222 0.000 1.286 352 Q HN 0.890 nan 8.270 nan 0.000 0.448 353 T N 0.595 115.172 114.554 0.038 0.000 2.940 353 T HA 0.059 4.424 4.350 0.025 0.000 0.309 353 T C 0.425 175.227 174.700 0.169 0.000 1.056 353 T CA -0.383 61.768 62.100 0.085 0.000 1.137 353 T CB 1.146 70.044 68.868 0.050 0.000 0.976 353 T HN 0.498 nan 8.240 nan 0.000 0.547 354 S N 2.266 118.064 115.700 0.162 0.000 2.481 354 S HA 0.304 4.789 4.470 0.025 0.000 0.282 354 S C 1.712 176.420 174.600 0.180 0.000 1.243 354 S CA -0.248 58.051 58.200 0.165 0.000 1.078 354 S CB -0.296 62.981 63.200 0.130 0.000 0.916 354 S HN 0.971 nan 8.310 nan 0.000 0.495 355 G N 4.450 113.387 108.800 0.229 0.000 2.418 355 G HA2 -0.225 3.750 3.960 0.025 0.000 0.217 355 G HA3 -0.225 3.750 3.960 0.025 0.000 0.217 355 G C 1.023 176.023 174.900 0.167 0.000 1.158 355 G CA 0.686 45.898 45.100 0.186 0.000 0.771 355 G HN 0.912 nan 8.290 nan 0.000 0.545 356 W N 2.465 123.770 121.300 0.008 0.000 2.374 356 W HA -0.150 4.527 4.660 0.030 0.000 0.288 356 W C 2.780 179.304 176.519 0.009 0.000 1.218 356 W CA 2.137 59.483 57.345 0.002 0.000 1.245 356 W CB -0.027 29.418 29.460 -0.026 0.000 1.126 356 W HN 0.264 nan 8.180 nan 0.000 0.545 357 S N 0.259 116.024 115.700 0.108 0.000 2.515 357 S HA -0.049 4.436 4.470 0.025 0.000 0.231 357 S C 0.816 175.327 174.600 -0.147 0.000 0.987 357 S CA 0.270 58.424 58.200 -0.076 0.000 0.936 357 S CB -0.873 62.402 63.200 0.125 0.000 0.766 357 S HN 0.173 nan 8.310 nan 0.000 0.528 358 L N 3.218 124.384 121.223 -0.096 0.000 2.455 358 L HA 0.253 4.608 4.340 0.025 0.000 0.272 358 L C 0.865 177.651 176.870 -0.142 0.000 1.174 358 L CA -0.328 54.465 54.840 -0.077 0.000 0.869 358 L CB 0.371 42.412 42.059 -0.030 0.000 1.130 358 L HN 0.280 nan 8.230 nan 0.000 0.474 359 T N -1.898 112.596 114.554 -0.099 0.000 2.922 359 T HA 0.163 4.528 4.350 0.025 0.000 0.285 359 T C 0.717 175.386 174.700 -0.051 0.000 1.005 359 T CA -0.796 61.246 62.100 -0.097 0.000 1.061 359 T CB 2.101 70.929 68.868 -0.066 0.000 1.007 359 T HN 0.725 nan 8.240 nan 0.000 0.502 360 E N 0.732 120.903 120.200 -0.048 0.000 2.072 360 E HA -0.082 4.284 4.350 0.025 0.000 0.190 360 E C 0.162 176.764 176.600 0.002 0.000 0.982 360 E CA 0.646 57.033 56.400 -0.021 0.000 0.803 360 E CB 0.160 29.847 29.700 -0.022 0.000 0.755 360 E HN 0.689 nan 8.360 nan 0.000 0.453 361 Q N 0.984 120.785 119.800 0.002 0.000 2.293 361 Q HA 0.093 4.448 4.340 0.025 0.000 0.251 361 Q C -0.681 175.339 176.000 0.035 0.000 0.930 361 Q CA 0.262 56.078 55.803 0.021 0.000 0.893 361 Q CB 1.078 29.828 28.738 0.019 0.000 1.215 361 Q HN 0.092 nan 8.270 nan 0.000 0.425 362 D N 1.590 122.024 120.400 0.057 0.000 2.697 362 D HA -0.141 4.514 4.640 0.025 0.000 0.235 362 D C -1.788 174.561 176.300 0.082 0.000 1.167 362 D CA 0.422 54.468 54.000 0.077 0.000 0.656 362 D CB -0.121 40.712 40.800 0.056 0.000 1.025 362 D HN 0.447 nan 8.370 nan 0.000 0.419 363 P HA -0.139 nan 4.420 nan 0.000 0.229 363 P C 1.373 178.671 177.300 -0.004 0.000 1.160 363 P CA 0.653 63.794 63.100 0.068 0.000 0.777 363 P CB -0.116 31.648 31.700 0.107 0.000 0.814 364 Y N 0.862 121.101 120.300 -0.101 0.000 2.403 364 Y HA -0.122 4.406 4.550 -0.037 0.000 0.291 364 Y C 2.274 178.081 175.900 -0.154 0.000 1.143 364 Y CA 0.995 58.900 58.100 -0.325 0.000 1.257 364 Y CB -1.139 37.109 38.460 -0.353 0.000 0.984 364 Y HN -0.010 nan 8.280 nan 0.000 0.550 365 N N 0.122 118.852 118.700 0.050 0.000 2.289 365 N HA -0.162 4.594 4.740 0.025 0.000 0.184 365 N C 1.186 176.711 175.510 0.025 0.000 1.016 365 N CA 0.869 53.934 53.050 0.024 0.000 0.872 365 N CB -0.401 38.096 38.487 0.016 0.000 0.973 365 N HN 0.439 nan 8.380 nan 0.000 0.433 366 N N 1.076 119.800 118.700 0.040 0.000 2.364 366 N HA -0.055 4.700 4.740 0.025 0.000 0.183 366 N C 1.762 177.321 175.510 0.083 0.000 1.022 366 N CA 0.382 53.470 53.050 0.064 0.000 0.883 366 N CB -0.110 38.435 38.487 0.096 0.000 0.965 366 N HN 0.392 nan 8.380 nan 0.000 0.438 367 I N 0.212 120.824 120.570 0.071 0.000 2.226 367 I HA -0.216 3.969 4.170 0.025 0.000 0.245 367 I C 2.064 178.215 176.117 0.056 0.000 1.100 367 I CA 0.798 62.143 61.300 0.075 0.000 1.374 367 I CB -0.259 37.764 38.000 0.038 0.000 1.057 367 I HN -0.092 nan 8.210 nan 0.000 0.413 368 V N 0.791 120.726 119.914 0.035 0.000 2.307 368 V HA -0.245 3.890 4.120 0.025 0.000 0.245 368 V C 2.577 178.692 176.094 0.035 0.000 1.045 368 V CA 1.776 64.092 62.300 0.025 0.000 1.024 368 V CB -0.737 31.088 31.823 0.003 0.000 0.651 368 V HN 0.352 nan 8.190 nan 0.000 0.449 369 R N -0.183 120.339 120.500 0.036 0.000 2.083 369 R HA -0.158 4.197 4.340 0.025 0.000 0.237 369 R C 2.381 178.718 176.300 0.062 0.000 1.137 369 R CA 2.036 58.162 56.100 0.044 0.000 0.951 369 R CB -0.768 29.553 30.300 0.036 0.000 0.851 369 R HN 0.487 nan 8.270 nan 0.000 0.434 370 T N 0.679 115.273 114.554 0.067 0.000 2.867 370 T HA -0.065 4.300 4.350 0.025 0.000 0.268 370 T C 1.888 176.632 174.700 0.074 0.000 1.057 370 T CA 1.173 63.318 62.100 0.074 0.000 1.136 370 T CB -0.134 68.785 68.868 0.085 0.000 0.874 370 T HN 0.372 nan 8.240 nan 0.000 0.466 371 A N 1.251 124.114 122.820 0.073 0.000 1.902 371 A HA -0.001 4.334 4.320 0.025 0.000 0.217 371 A C 2.254 179.890 177.584 0.086 0.000 1.181 371 A CA 1.139 53.219 52.037 0.072 0.000 0.623 371 A CB -0.713 18.325 19.000 0.063 0.000 0.818 371 A HN 0.509 nan 8.150 nan 0.000 0.443 372 I N -0.572 120.054 120.570 0.094 0.000 2.252 372 I HA -0.244 3.941 4.170 0.025 0.000 0.245 372 I C 2.502 178.750 176.117 0.219 0.000 1.102 372 I CA 1.549 62.938 61.300 0.148 0.000 1.385 372 I CB -0.404 37.651 38.000 0.091 0.000 1.064 372 I HN 0.422 nan 8.210 nan 0.000 0.414 373 E N 0.966 121.247 120.200 0.135 0.000 2.051 373 E HA -0.216 4.149 4.350 0.025 0.000 0.192 373 E C 2.362 178.986 176.600 0.040 0.000 0.991 373 E CA 1.319 57.776 56.400 0.096 0.000 0.799 373 E CB -0.233 29.512 29.700 0.074 0.000 0.748 373 E HN 0.502 nan 8.360 nan 0.000 0.449 374 A N 1.154 123.989 122.820 0.026 0.000 1.883 374 A HA -0.254 4.081 4.320 0.025 0.000 0.217 374 A C 2.195 179.702 177.584 -0.127 0.000 1.186 374 A CA 1.772 53.777 52.037 -0.053 0.000 0.624 374 A CB -0.574 18.420 19.000 -0.010 0.000 0.822 374 A HN 0.159 nan 8.150 nan 0.000 0.444 375 M N -0.601 118.987 119.600 -0.020 0.000 2.108 375 M HA -0.180 4.315 4.480 0.025 0.000 0.261 375 M C 2.531 178.813 176.300 -0.030 0.000 1.066 375 M CA 1.494 56.763 55.300 -0.053 0.000 1.107 375 M CB -0.463 32.281 32.600 0.240 0.000 1.356 375 M HN 0.497 nan 8.290 nan 0.000 0.406 376 A N 0.443 123.295 122.820 0.054 0.000 1.883 376 A HA -0.112 4.223 4.320 0.025 0.000 0.217 376 A C 2.382 179.874 177.584 -0.154 0.000 1.186 376 A CA 2.061 53.970 52.037 -0.213 0.000 0.624 376 A CB -1.036 17.792 19.000 -0.288 0.000 0.822 376 A HN 0.512 nan 8.150 nan 0.000 0.444 377 A N -0.694 122.037 122.820 -0.147 0.000 1.902 377 A HA -0.007 4.328 4.320 0.025 0.000 0.217 377 A C 2.249 179.719 177.584 -0.191 0.000 1.181 377 A CA 1.864 53.810 52.037 -0.152 0.000 0.623 377 A CB -0.900 17.998 19.000 -0.170 0.000 0.818 377 A HN 0.398 nan 8.150 nan 0.000 0.443 378 V N -1.258 118.445 119.914 -0.352 0.000 2.307 378 V HA -0.230 3.905 4.120 0.025 0.000 0.245 378 V C 2.299 178.389 176.094 -0.007 0.000 1.045 378 V CA 1.969 64.035 62.300 -0.391 0.000 1.024 378 V CB -0.971 30.408 31.823 -0.741 0.000 0.651 378 V HN 0.629 nan 8.190 nan 0.000 0.449 379 F N 0.984 120.974 119.950 0.067 0.000 2.216 379 F HA -0.073 4.469 4.527 0.025 0.000 0.300 379 F C 2.347 178.175 175.800 0.047 0.000 1.085 379 F CA 0.978 59.067 58.000 0.148 0.000 1.326 379 F CB -0.534 38.574 39.000 0.179 0.000 1.027 379 F HN 0.289 nan 8.300 nan 0.000 0.497 380 G N -0.716 108.154 108.800 0.117 0.000 2.650 380 G HA2 0.211 4.186 3.960 0.025 0.000 0.214 380 G HA3 0.211 4.186 3.960 0.025 0.000 0.214 380 G C 1.260 176.207 174.900 0.078 0.000 1.136 380 G CA 0.441 45.557 45.100 0.027 0.000 0.789 380 G HN 0.561 nan 8.290 nan 0.000 0.536 381 G N -0.517 108.370 108.800 0.145 0.000 2.248 381 G HA2 -0.199 3.777 3.960 0.025 0.000 0.252 381 G HA3 -0.199 3.777 3.960 0.025 0.000 0.252 381 G C 0.291 175.327 174.900 0.226 0.000 1.085 381 G CA 0.371 45.565 45.100 0.155 0.000 0.845 381 G HN 0.717 nan 8.290 nan 0.000 0.494 382 T N -1.091 113.611 114.554 0.246 0.000 2.900 382 T HA 0.364 4.729 4.350 0.025 0.000 0.307 382 T C 1.691 176.614 174.700 0.371 0.000 1.065 382 T CA 0.811 63.049 62.100 0.230 0.000 1.105 382 T CB 0.683 69.602 68.868 0.085 0.000 0.979 382 T HN 0.287 nan 8.240 nan 0.000 0.544 383 Q N 1.206 121.205 119.800 0.331 0.000 2.250 383 Q HA 0.232 4.587 4.340 0.025 0.000 0.200 383 Q C 0.618 176.850 176.000 0.386 0.000 0.941 383 Q CA 0.431 56.466 55.803 0.387 0.000 0.872 383 Q CB 0.413 29.339 28.738 0.314 0.000 0.965 383 Q HN 0.738 nan 8.270 nan 0.000 0.480 384 S N -1.242 114.667 115.700 0.348 0.000 2.607 384 S HA 0.745 5.230 4.470 0.025 0.000 0.273 384 S C -1.497 173.293 174.600 0.316 0.000 1.148 384 S CA -1.018 57.427 58.200 0.407 0.000 0.833 384 S CB 1.646 65.093 63.200 0.412 0.000 1.130 384 S HN 0.053 nan 8.310 nan 0.000 0.470 385 L N 1.111 122.545 121.223 0.352 0.000 2.482 385 L HA 0.550 4.906 4.340 0.025 0.000 0.263 385 L C -1.355 175.708 176.870 0.323 0.000 0.957 385 L CA -0.195 54.738 54.840 0.154 0.000 0.836 385 L CB 2.121 44.178 42.059 -0.003 0.000 1.324 385 L HN 1.086 nan 8.230 nan 0.000 0.406 386 H N 2.571 121.710 119.070 0.116 0.000 2.551 386 H HA 0.631 5.200 4.556 0.022 0.000 0.321 386 H C -1.068 174.321 175.328 0.103 0.000 1.028 386 H CA -0.416 55.739 56.048 0.180 0.000 1.215 386 H CB 1.122 31.033 29.762 0.248 0.000 1.414 386 H HN 0.747 nan 8.280 nan 0.000 0.480 387 T N 2.765 117.542 114.554 0.372 0.000 2.799 387 T HA 0.235 4.601 4.350 0.025 0.000 0.286 387 T C 0.327 175.157 174.700 0.218 0.000 0.973 387 T CA -1.179 61.042 62.100 0.202 0.000 1.035 387 T CB 1.057 70.026 68.868 0.169 0.000 0.932 387 T HN 0.527 nan 8.240 nan 0.000 0.469 388 N N 1.911 120.649 118.700 0.063 0.000 2.399 388 N HA 0.255 5.011 4.740 0.025 0.000 0.250 388 N C 0.068 175.630 175.510 0.086 0.000 1.272 388 N CA -0.289 52.797 53.050 0.059 0.000 0.928 388 N CB 0.750 39.242 38.487 0.009 0.000 1.158 388 N HN 0.626 nan 8.380 nan 0.000 0.463 389 S N 0.312 116.039 115.700 0.045 0.000 2.616 389 S HA 0.201 4.686 4.470 0.025 0.000 0.277 389 S C 1.236 175.798 174.600 -0.063 0.000 1.234 389 S CA -0.732 57.456 58.200 -0.020 0.000 1.028 389 S CB 0.346 63.474 63.200 -0.120 0.000 0.988 389 S HN 0.560 nan 8.310 nan 0.000 0.522 390 F N 1.201 121.115 119.950 -0.060 0.000 2.407 390 F HA 0.028 4.598 4.527 0.072 0.000 0.299 390 F C 1.229 176.944 175.800 -0.141 0.000 1.097 390 F CA 0.783 58.716 58.000 -0.110 0.000 1.422 390 F CB -0.316 38.578 39.000 -0.177 0.000 1.067 390 F HN 0.489 nan 8.300 nan 0.000 0.539 391 D N 0.734 120.671 120.400 -0.771 0.000 2.368 391 D HA -0.043 4.612 4.640 0.025 0.000 0.218 391 D C 0.681 176.821 176.300 -0.266 0.000 1.112 391 D CA 0.216 53.903 54.000 -0.522 0.000 0.834 391 D CB -0.978 39.362 40.800 -0.767 0.000 0.953 391 D HN 0.773 nan 8.370 nan 0.000 0.505 392 E N 0.004 120.091 120.200 -0.189 0.000 2.499 392 E HA 0.434 4.799 4.350 0.025 0.000 0.207 392 E C 1.089 177.658 176.600 -0.052 0.000 1.034 392 E CA -0.426 55.910 56.400 -0.107 0.000 1.098 392 E CB 0.543 30.193 29.700 -0.085 0.000 1.148 392 E HN 0.103 nan 8.360 nan 0.000 0.447 393 A N 1.315 124.103 122.820 -0.053 0.000 1.845 393 A HA -0.105 4.230 4.320 0.025 0.000 0.215 393 A C 1.996 179.561 177.584 -0.032 0.000 1.195 393 A CA 1.206 53.219 52.037 -0.039 0.000 0.616 393 A CB -0.335 18.634 19.000 -0.051 0.000 0.832 393 A HN 0.426 nan 8.150 nan 0.000 0.443 394 L N -2.219 118.981 121.223 -0.039 0.000 2.672 394 L HA 0.292 4.647 4.340 0.025 0.000 0.236 394 L C 1.485 178.334 176.870 -0.035 0.000 1.092 394 L CA 0.100 54.920 54.840 -0.032 0.000 0.887 394 L CB -0.021 42.021 42.059 -0.029 0.000 1.168 394 L HN 0.449 nan 8.230 nan 0.000 0.502 395 G N 0.008 108.776 108.800 -0.054 0.000 2.795 395 G HA2 0.658 4.633 3.960 0.025 0.000 0.267 395 G HA3 0.658 4.633 3.960 0.025 0.000 0.267 395 G C -0.705 174.151 174.900 -0.074 0.000 1.362 395 G CA -0.607 44.454 45.100 -0.065 0.000 1.048 395 G HN -0.105 nan 8.290 nan 0.000 0.547 396 L N 1.215 122.384 121.223 -0.090 0.000 2.344 396 L HA 0.407 4.762 4.340 0.025 0.000 0.272 396 L C -1.833 174.950 176.870 -0.145 0.000 1.035 396 L CA -1.853 52.922 54.840 -0.107 0.000 0.807 396 L CB 1.955 43.948 42.059 -0.109 0.000 1.237 396 L HN 0.319 nan 8.230 nan 0.000 0.442 397 P HA 0.071 nan 4.420 nan 0.000 0.269 397 P C -0.566 176.633 177.300 -0.167 0.000 1.215 397 P CA -0.209 62.782 63.100 -0.182 0.000 0.780 397 P CB 0.499 32.116 31.700 -0.139 0.000 0.898 398 T N -2.378 112.070 114.554 -0.177 0.000 2.923 398 T HA 0.252 4.618 4.350 0.025 0.000 0.281 398 T C 1.455 176.114 174.700 -0.069 0.000 0.995 398 T CA -0.797 61.237 62.100 -0.110 0.000 0.985 398 T CB 0.263 69.074 68.868 -0.096 0.000 1.114 398 T HN 0.048 nan 8.240 nan 0.000 0.548 399 V N 1.016 120.915 119.914 -0.026 0.000 2.282 399 V HA -0.181 3.955 4.120 0.025 0.000 0.249 399 V C 2.833 178.943 176.094 0.027 0.000 1.057 399 V CA 2.326 64.629 62.300 0.006 0.000 1.032 399 V CB -0.938 30.901 31.823 0.026 0.000 0.645 399 V HN 1.003 nan 8.190 nan 0.000 0.447 400 K N 0.605 121.031 120.400 0.042 0.000 2.026 400 K HA -0.202 4.134 4.320 0.025 0.000 0.208 400 K C 2.470 179.140 176.600 0.117 0.000 1.048 400 K CA 1.904 58.248 56.287 0.095 0.000 0.929 400 K CB -0.285 32.300 32.500 0.141 0.000 0.713 400 K HN 0.604 nan 8.250 nan 0.000 0.439 401 S N 0.231 115.953 115.700 0.037 0.000 2.383 401 S HA -0.077 4.408 4.470 0.025 0.000 0.227 401 S C 2.198 176.801 174.600 0.004 0.000 1.026 401 S CA 0.912 59.094 58.200 -0.030 0.000 0.981 401 S CB -0.320 62.529 63.200 -0.584 0.000 0.818 401 S HN 0.396 nan 8.310 nan 0.000 0.472 402 A N 2.263 125.071 122.820 -0.019 0.000 1.933 402 A HA -0.026 4.310 4.320 0.025 0.000 0.218 402 A C 2.344 179.962 177.584 0.056 0.000 1.175 402 A CA 1.504 53.550 52.037 0.014 0.000 0.628 402 A CB -0.781 18.213 19.000 -0.010 0.000 0.814 402 A HN 0.614 nan 8.150 nan 0.000 0.444 403 R N -0.288 120.250 120.500 0.064 0.000 2.081 403 R HA -0.069 4.286 4.340 0.025 0.000 0.235 403 R C 1.939 178.294 176.300 0.091 0.000 1.131 403 R CA 1.666 57.810 56.100 0.074 0.000 0.960 403 R CB -0.412 29.930 30.300 0.070 0.000 0.856 403 R HN 0.539 nan 8.270 nan 0.000 0.436 404 I N 0.817 121.460 120.570 0.121 0.000 2.163 404 I HA -0.299 3.887 4.170 0.025 0.000 0.243 404 I C 2.572 178.767 176.117 0.131 0.000 1.085 404 I CA 1.461 62.846 61.300 0.141 0.000 1.347 404 I CB -0.406 37.724 38.000 0.217 0.000 1.044 404 I HN 0.322 nan 8.210 nan 0.000 0.408 405 A N 0.587 123.486 122.820 0.131 0.000 1.877 405 A HA -0.253 4.082 4.320 0.025 0.000 0.216 405 A C 2.445 180.105 177.584 0.126 0.000 1.186 405 A CA 1.911 54.026 52.037 0.131 0.000 0.620 405 A CB -0.641 18.435 19.000 0.127 0.000 0.822 405 A HN 0.361 nan 8.150 nan 0.000 0.443 406 R N -0.502 120.063 120.500 0.108 0.000 2.066 406 R HA -0.119 4.236 4.340 0.025 0.000 0.232 406 R C 1.645 177.998 176.300 0.089 0.000 1.131 406 R CA 1.580 57.739 56.100 0.097 0.000 0.955 406 R CB -0.278 30.066 30.300 0.072 0.000 0.851 406 R HN 0.473 nan 8.270 nan 0.000 0.432 407 N N -0.075 118.673 118.700 0.079 0.000 2.364 407 N HA -0.099 4.656 4.740 0.025 0.000 0.183 407 N C 1.361 176.919 175.510 0.080 0.000 1.022 407 N CA 1.461 54.551 53.050 0.067 0.000 0.883 407 N CB -0.287 38.236 38.487 0.061 0.000 0.965 407 N HN 0.258 nan 8.380 nan 0.000 0.438 408 T N 1.373 115.986 114.554 0.098 0.000 2.684 408 T HA -0.153 4.213 4.350 0.025 0.000 0.267 408 T C 1.858 176.634 174.700 0.127 0.000 1.036 408 T CA 1.219 63.382 62.100 0.104 0.000 1.148 408 T CB -0.123 68.811 68.868 0.109 0.000 0.863 408 T HN 0.389 nan 8.240 nan 0.000 0.436 409 Q N 0.070 119.967 119.800 0.162 0.000 2.079 409 Q HA 0.033 4.388 4.340 0.025 0.000 0.200 409 Q C 2.445 178.547 176.000 0.171 0.000 0.974 409 Q CA 1.096 57.056 55.803 0.261 0.000 0.840 409 Q CB -0.317 28.613 28.738 0.318 0.000 0.898 409 Q HN 0.528 nan 8.270 nan 0.000 0.430 410 I N 0.468 121.081 120.570 0.072 0.000 2.315 410 I HA -0.262 3.923 4.170 0.025 0.000 0.248 410 I C 2.146 178.271 176.117 0.013 0.000 1.117 410 I CA 1.011 62.310 61.300 -0.002 0.000 1.404 410 I CB -0.203 37.791 38.000 -0.010 0.000 1.071 410 I HN 0.184 nan 8.210 nan 0.000 0.419 411 I N 0.702 121.301 120.570 0.048 0.000 2.252 411 I HA -0.277 3.908 4.170 0.025 0.000 0.245 411 I C 2.441 178.597 176.117 0.065 0.000 1.102 411 I CA 1.528 62.857 61.300 0.048 0.000 1.385 411 I CB -0.187 37.844 38.000 0.052 0.000 1.064 411 I HN 0.124 nan 8.210 nan 0.000 0.414 412 I N 0.248 120.882 120.570 0.107 0.000 2.208 412 I HA -0.329 3.856 4.170 0.025 0.000 0.245 412 I C 2.565 178.771 176.117 0.148 0.000 1.097 412 I CA 1.517 62.903 61.300 0.144 0.000 1.363 412 I CB -0.417 37.700 38.000 0.195 0.000 1.051 412 I HN 0.313 nan 8.210 nan 0.000 0.413 413 Q N 0.247 120.096 119.800 0.082 0.000 2.079 413 Q HA -0.174 4.182 4.340 0.025 0.000 0.200 413 Q C 1.705 177.670 176.000 -0.058 0.000 0.974 413 Q CA 1.363 57.111 55.803 -0.092 0.000 0.840 413 Q CB 0.090 28.618 28.738 -0.351 0.000 0.898 413 Q HN 0.580 nan 8.270 nan 0.000 0.430 414 E N -0.828 119.352 120.200 -0.034 0.000 2.465 414 E HA 0.027 4.392 4.350 0.025 0.000 0.209 414 E C 1.035 177.634 176.600 -0.002 0.000 0.951 414 E CA 0.133 56.514 56.400 -0.032 0.000 0.997 414 E CB 0.619 30.290 29.700 -0.048 0.000 1.025 414 E HN 0.309 nan 8.360 nan 0.000 0.500 415 E N 0.611 120.821 120.200 0.017 0.000 2.399 415 E HA -0.005 4.360 4.350 0.025 0.000 0.205 415 E C 1.921 178.544 176.600 0.040 0.000 0.906 415 E CA 0.572 56.987 56.400 0.025 0.000 0.998 415 E CB 0.518 30.233 29.700 0.026 0.000 1.002 415 E HN 0.051 nan 8.360 nan 0.000 0.501 416 S N -0.476 115.257 115.700 0.055 0.000 2.501 416 S HA 0.132 4.618 4.470 0.025 0.000 0.220 416 S C 1.803 176.451 174.600 0.081 0.000 0.997 416 S CA 0.734 58.976 58.200 0.070 0.000 0.919 416 S CB 0.398 63.649 63.200 0.084 0.000 0.778 416 S HN 0.329 nan 8.310 nan 0.000 0.523 417 G N 1.488 110.335 108.800 0.079 0.000 2.212 417 G HA2 -0.306 3.669 3.960 0.025 0.000 0.266 417 G HA3 -0.306 3.669 3.960 0.025 0.000 0.266 417 G C 0.725 175.702 174.900 0.128 0.000 0.978 417 G CA 0.475 45.629 45.100 0.089 0.000 0.632 417 G HN 0.562 nan 8.290 nan 0.000 0.537 418 I N 1.450 122.108 120.570 0.146 0.000 2.264 418 I HA -0.121 4.065 4.170 0.025 0.000 0.248 418 I C 0.185 176.451 176.117 0.247 0.000 1.111 418 I CA 1.797 63.211 61.300 0.190 0.000 1.382 418 I CB -0.662 37.404 38.000 0.109 0.000 1.060 418 I HN 0.191 nan 8.210 nan 0.000 0.418 419 P HA -0.134 nan 4.420 nan 0.000 0.226 419 P C 0.985 178.463 177.300 0.298 0.000 1.153 419 P CA 1.150 64.474 63.100 0.374 0.000 0.777 419 P CB -0.055 31.798 31.700 0.255 0.000 0.794 420 K N -0.919 119.603 120.400 0.202 0.000 2.487 420 K HA 0.116 4.451 4.320 0.025 0.000 0.192 420 K C 0.039 176.723 176.600 0.141 0.000 1.027 420 K CA 0.449 56.827 56.287 0.153 0.000 1.054 420 K CB 0.289 32.856 32.500 0.111 0.000 0.824 420 K HN 0.062 nan 8.250 nan 0.000 0.510 421 V N 1.229 121.240 119.914 0.162 0.000 2.577 421 V HA 0.344 4.479 4.120 0.025 0.000 0.303 421 V C -0.369 175.811 176.094 0.144 0.000 1.042 421 V CA -1.299 61.078 62.300 0.128 0.000 0.872 421 V CB 1.536 33.419 31.823 0.099 0.000 0.998 421 V HN 0.109 nan 8.190 nan 0.000 0.423 422 A N 2.779 125.661 122.820 0.102 0.000 2.440 422 A HA 0.477 4.812 4.320 0.025 0.000 0.251 422 A C 0.578 178.212 177.584 0.083 0.000 1.089 422 A CA 0.172 52.251 52.037 0.070 0.000 0.779 422 A CB -0.240 18.789 19.000 0.048 0.000 1.022 422 A HN 1.213 nan 8.150 nan 0.000 0.492 423 D N 1.917 122.372 120.400 0.093 0.000 2.894 423 D HA -0.143 4.512 4.640 0.025 0.000 0.216 423 D C -1.006 175.379 176.300 0.142 0.000 1.245 423 D CA 0.980 55.062 54.000 0.137 0.000 0.728 423 D CB 0.017 40.872 40.800 0.091 0.000 0.924 423 D HN 0.370 nan 8.370 nan 0.000 0.395 424 P HA -0.148 nan 4.420 nan 0.000 0.220 424 P C 1.292 178.540 177.300 -0.087 0.000 1.148 424 P CA 1.069 64.190 63.100 0.035 0.000 0.803 424 P CB -0.175 31.560 31.700 0.058 0.000 0.782 425 W N 1.158 122.419 121.300 -0.065 0.000 2.961 425 W HA 0.202 4.873 4.660 0.019 0.000 0.240 425 W C 1.467 177.917 176.519 -0.115 0.000 1.305 425 W CA 0.348 57.614 57.345 -0.132 0.000 1.465 425 W CB -0.735 28.628 29.460 -0.162 0.000 1.135 425 W HN -0.082 nan 8.180 nan 0.000 0.688 426 G N 0.237 109.100 108.800 0.106 0.000 2.272 426 G HA2 0.333 4.309 3.960 0.025 0.000 0.247 426 G HA3 0.333 4.309 3.960 0.025 0.000 0.247 426 G C 1.070 175.957 174.900 -0.022 0.000 1.272 426 G CA 0.426 45.549 45.100 0.038 0.000 0.921 426 G HN 0.571 nan 8.290 nan 0.000 0.495 427 G N 1.114 109.890 108.800 -0.039 0.000 2.268 427 G HA2 -0.243 3.732 3.960 0.025 0.000 0.240 427 G HA3 -0.243 3.732 3.960 0.025 0.000 0.240 427 G C 1.000 175.776 174.900 -0.205 0.000 1.010 427 G CA 0.807 45.850 45.100 -0.095 0.000 0.618 427 G HN 1.870 nan 8.290 nan 0.000 0.516 428 S N 0.373 115.977 115.700 -0.161 0.000 2.575 428 S HA 0.298 4.783 4.470 0.025 0.000 0.295 428 S C 1.511 175.998 174.600 -0.188 0.000 1.267 428 S CA 0.592 58.668 58.200 -0.206 0.000 1.074 428 S CB 0.056 63.316 63.200 0.101 0.000 0.829 428 S HN 0.380 nan 8.310 nan 0.000 0.497 429 Y N 3.855 124.123 120.300 -0.054 0.000 2.128 429 Y HA -0.182 4.384 4.550 0.026 0.000 0.284 429 Y C 2.572 178.293 175.900 -0.298 0.000 1.154 429 Y CA 1.529 59.584 58.100 -0.074 0.000 1.149 429 Y CB -0.294 38.182 38.460 0.027 0.000 0.976 429 Y HN 0.647 nan 8.280 nan 0.000 0.505 430 M N -0.141 119.262 119.600 -0.330 0.000 2.067 430 M HA -0.228 4.267 4.480 0.025 0.000 0.260 430 M C 2.232 178.137 176.300 -0.659 0.000 1.069 430 M CA 1.922 56.604 55.300 -1.030 0.000 1.117 430 M CB -0.398 31.763 32.600 -0.732 0.000 1.334 430 M HN 0.460 nan 8.290 nan 0.000 0.407 431 M N 1.017 120.395 119.600 -0.370 0.000 2.175 431 M HA -0.126 4.369 4.480 0.025 0.000 0.264 431 M C 1.667 177.829 176.300 -0.229 0.000 1.063 431 M CA 1.699 56.809 55.300 -0.317 0.000 1.119 431 M CB -0.544 31.923 32.600 -0.222 0.000 1.377 431 M HN 0.210 nan 8.290 nan 0.000 0.415 432 E N -1.005 119.096 120.200 -0.164 0.000 2.107 432 E HA -0.183 4.182 4.350 0.025 0.000 0.191 432 E C 2.350 178.877 176.600 -0.121 0.000 0.982 432 E CA 1.318 57.651 56.400 -0.111 0.000 0.809 432 E CB -1.087 28.581 29.700 -0.055 0.000 0.756 432 E HN 0.619 nan 8.360 nan 0.000 0.459 433 C N 0.767 119.971 119.300 -0.160 0.000 2.446 433 C HA -0.074 4.401 4.460 0.025 0.000 0.277 433 C C 2.713 177.627 174.990 -0.127 0.000 1.275 433 C CA 0.477 59.429 59.018 -0.111 0.000 1.727 433 C CB -1.056 26.647 27.740 -0.061 0.000 2.010 433 C HN 0.331 nan 8.230 nan 0.000 0.486 434 L N 0.894 121.979 121.223 -0.230 0.000 2.083 434 L HA -0.067 4.289 4.340 0.025 0.000 0.209 434 L C 2.551 179.337 176.870 -0.140 0.000 1.083 434 L CA 2.525 57.254 54.840 -0.185 0.000 0.752 434 L CB -1.160 40.748 42.059 -0.252 0.000 0.899 434 L HN 0.343 nan 8.230 nan 0.000 0.433 435 T N -0.037 114.431 114.554 -0.143 0.000 2.708 435 T HA -0.149 4.217 4.350 0.025 0.000 0.266 435 T C 1.709 176.384 174.700 -0.042 0.000 1.037 435 T CA 1.543 63.584 62.100 -0.098 0.000 1.146 435 T CB -0.351 68.458 68.868 -0.099 0.000 0.865 435 T HN 0.358 nan 8.240 nan 0.000 0.435 436 N N 1.516 120.179 118.700 -0.061 0.000 2.104 436 N HA -0.105 4.650 4.740 0.025 0.000 0.190 436 N C 1.572 177.095 175.510 0.022 0.000 1.024 436 N CA 1.236 54.261 53.050 -0.043 0.000 0.853 436 N CB -0.485 37.965 38.487 -0.062 0.000 1.008 436 N HN 0.398 nan 8.380 nan 0.000 0.424 437 D N 0.074 120.470 120.400 -0.008 0.000 2.149 437 D HA -0.037 4.618 4.640 0.025 0.000 0.201 437 D C 2.074 178.366 176.300 -0.013 0.000 0.972 437 D CA 0.414 54.411 54.000 -0.005 0.000 0.835 437 D CB -0.227 40.558 40.800 -0.025 0.000 0.966 437 D HN 0.033 nan 8.370 nan 0.000 0.476 438 V N 0.775 120.669 119.914 -0.035 0.000 2.307 438 V HA -0.259 3.876 4.120 0.025 0.000 0.245 438 V C 2.208 178.291 176.094 -0.018 0.000 1.045 438 V CA 1.276 63.539 62.300 -0.061 0.000 1.024 438 V CB -0.689 31.069 31.823 -0.108 0.000 0.651 438 V HN 0.142 nan 8.190 nan 0.000 0.449 439 Y N 1.730 121.978 120.300 -0.087 0.000 2.053 439 Y HA -0.320 4.245 4.550 0.025 0.000 0.277 439 Y C 2.415 178.283 175.900 -0.054 0.000 1.159 439 Y CA 2.314 60.376 58.100 -0.064 0.000 1.125 439 Y CB -0.496 37.925 38.460 -0.065 0.000 0.969 439 Y HN 0.316 nan 8.280 nan 0.000 0.492 440 D N 0.064 120.589 120.400 0.208 0.000 2.104 440 D HA -0.211 4.444 4.640 0.025 0.000 0.194 440 D C 2.305 178.596 176.300 -0.016 0.000 0.994 440 D CA 1.716 55.783 54.000 0.111 0.000 0.830 440 D CB -0.775 40.082 40.800 0.095 0.000 0.959 440 D HN 0.502 nan 8.370 nan 0.000 0.452 441 A N 0.932 123.733 122.820 -0.030 0.000 1.902 441 A HA -0.031 4.304 4.320 0.025 0.000 0.217 441 A C 2.309 179.844 177.584 -0.081 0.000 1.181 441 A CA 2.321 54.325 52.037 -0.055 0.000 0.623 441 A CB -0.750 18.211 19.000 -0.066 0.000 0.818 441 A HN 0.241 nan 8.150 nan 0.000 0.443 442 A N -0.580 122.173 122.820 -0.113 0.000 1.898 442 A HA -0.010 4.325 4.320 0.025 0.000 0.216 442 A C 2.117 179.634 177.584 -0.112 0.000 1.181 442 A CA 1.688 53.654 52.037 -0.118 0.000 0.620 442 A CB -0.586 18.334 19.000 -0.133 0.000 0.819 442 A HN 0.706 nan 8.150 nan 0.000 0.442 443 L N -0.064 121.045 121.223 -0.191 0.000 2.083 443 L HA -0.103 4.252 4.340 0.025 0.000 0.209 443 L C 2.201 179.036 176.870 -0.058 0.000 1.083 443 L CA 2.542 57.278 54.840 -0.174 0.000 0.752 443 L CB -0.600 41.273 42.059 -0.309 0.000 0.899 443 L HN 0.440 nan 8.230 nan 0.000 0.433 444 K N -0.663 119.710 120.400 -0.045 0.000 2.032 444 K HA -0.186 4.149 4.320 0.025 0.000 0.209 444 K C 2.063 178.667 176.600 0.007 0.000 1.048 444 K CA 2.013 58.294 56.287 -0.012 0.000 0.927 444 K CB -0.246 32.246 32.500 -0.012 0.000 0.712 444 K HN 0.417 nan 8.250 nan 0.000 0.441 445 L N 0.494 121.721 121.223 0.006 0.000 2.056 445 L HA -0.160 4.195 4.340 0.025 0.000 0.207 445 L C 2.393 179.312 176.870 0.083 0.000 1.078 445 L CA 1.018 55.887 54.840 0.048 0.000 0.749 445 L CB -0.377 41.704 42.059 0.038 0.000 0.901 445 L HN 0.237 nan 8.230 nan 0.000 0.433 446 I N -0.015 120.596 120.570 0.069 0.000 2.226 446 I HA -0.275 3.910 4.170 0.025 0.000 0.245 446 I C 2.248 178.403 176.117 0.065 0.000 1.100 446 I CA 1.016 62.371 61.300 0.091 0.000 1.374 446 I CB -0.404 37.650 38.000 0.090 0.000 1.057 446 I HN 0.322 nan 8.210 nan 0.000 0.413 447 N N 0.931 119.657 118.700 0.043 0.000 2.104 447 N HA -0.201 4.554 4.740 0.025 0.000 0.190 447 N C 1.720 177.248 175.510 0.030 0.000 1.024 447 N CA 1.391 54.461 53.050 0.033 0.000 0.853 447 N CB -0.272 38.232 38.487 0.028 0.000 1.008 447 N HN 0.453 nan 8.380 nan 0.000 0.424 448 E N 0.376 120.597 120.200 0.035 0.000 2.077 448 E HA -0.096 4.269 4.350 0.025 0.000 0.193 448 E C 2.048 178.667 176.600 0.031 0.000 0.989 448 E CA 0.704 57.124 56.400 0.032 0.000 0.800 448 E CB -0.103 29.621 29.700 0.040 0.000 0.746 448 E HN 0.345 nan 8.360 nan 0.000 0.452 449 I N 1.283 121.880 120.570 0.045 0.000 2.179 449 I HA -0.260 3.926 4.170 0.025 0.000 0.242 449 I C 2.421 178.547 176.117 0.016 0.000 1.088 449 I CA 0.998 62.316 61.300 0.031 0.000 1.357 449 I CB -0.168 37.864 38.000 0.052 0.000 1.051 449 I HN 0.047 nan 8.210 nan 0.000 0.409 450 E N 0.461 120.675 120.200 0.024 0.000 2.058 450 E HA -0.285 4.080 4.350 0.025 0.000 0.194 450 E C 1.997 178.596 176.600 -0.001 0.000 0.997 450 E CA 1.347 57.754 56.400 0.010 0.000 0.801 450 E CB -0.306 29.401 29.700 0.010 0.000 0.746 450 E HN 0.400 nan 8.360 nan 0.000 0.450 451 E N 0.903 121.105 120.200 0.003 0.000 2.118 451 E HA -0.189 4.176 4.350 0.025 0.000 0.195 451 E C 1.781 178.377 176.600 -0.006 0.000 0.992 451 E CA 1.740 58.139 56.400 -0.002 0.000 0.804 451 E CB -0.177 29.525 29.700 0.004 0.000 0.741 451 E HN 0.266 nan 8.360 nan 0.000 0.458 452 M N -2.652 116.945 119.600 -0.006 0.000 2.494 452 M HA 0.442 4.937 4.480 0.025 0.000 0.232 452 M C 1.063 177.351 176.300 -0.019 0.000 1.137 452 M CA 0.936 56.229 55.300 -0.012 0.000 1.012 452 M CB 0.779 33.372 32.600 -0.011 0.000 1.567 452 M HN 0.060 nan 8.290 nan 0.000 0.486 453 G N -1.478 107.310 108.800 -0.019 0.000 2.173 453 G HA2 0.319 4.294 3.960 0.025 0.000 0.142 453 G HA3 0.319 4.294 3.960 0.025 0.000 0.142 453 G C 0.492 175.377 174.900 -0.025 0.000 1.019 453 G CA -0.403 44.682 45.100 -0.024 0.000 0.699 453 G HN 1.495 nan 8.290 nan 0.000 0.495 454 G N -1.629 107.160 108.800 -0.019 0.000 2.707 454 G HA2 0.186 4.161 3.960 0.025 0.000 0.686 454 G HA3 0.186 4.161 3.960 0.025 0.000 0.686 454 G C 0.511 175.388 174.900 -0.037 0.000 1.315 454 G CA 0.286 45.377 45.100 -0.015 0.000 0.832 454 G HN 1.277 nan 8.290 nan 0.000 0.573 455 M N 1.297 120.874 119.600 -0.040 0.000 2.229 455 M HA 0.234 4.729 4.480 0.025 0.000 0.264 455 M C 2.706 178.941 176.300 -0.109 0.000 1.063 455 M CA 2.997 58.252 55.300 -0.076 0.000 1.114 455 M CB -0.946 31.614 32.600 -0.066 0.000 1.387 455 M HN 1.536 nan 8.290 nan 0.000 0.420 456 A N -0.254 122.502 122.820 -0.107 0.000 1.908 456 A HA -0.239 4.096 4.320 0.025 0.000 0.218 456 A C 2.251 179.752 177.584 -0.139 0.000 1.181 456 A CA 2.141 54.102 52.037 -0.126 0.000 0.627 456 A CB -0.777 18.157 19.000 -0.109 0.000 0.818 456 A HN 0.576 nan 8.150 nan 0.000 0.445 457 K N -0.386 119.950 120.400 -0.106 0.000 2.026 457 K HA -0.079 4.256 4.320 0.025 0.000 0.208 457 K C 2.201 178.738 176.600 -0.106 0.000 1.048 457 K CA 1.285 57.512 56.287 -0.100 0.000 0.929 457 K CB -0.376 32.082 32.500 -0.070 0.000 0.713 457 K HN 0.342 nan 8.250 nan 0.000 0.439 458 A N 0.759 123.519 122.820 -0.100 0.000 1.883 458 A HA -0.137 4.198 4.320 0.025 0.000 0.217 458 A C 2.285 179.787 177.584 -0.137 0.000 1.186 458 A CA 1.840 53.812 52.037 -0.108 0.000 0.624 458 A CB -0.858 18.074 19.000 -0.114 0.000 0.822 458 A HN 0.192 nan 8.150 nan 0.000 0.444 459 V N -0.125 119.694 119.914 -0.159 0.000 2.287 459 V HA -0.293 3.842 4.120 0.025 0.000 0.248 459 V C 3.077 179.068 176.094 -0.170 0.000 1.053 459 V CA 2.134 64.339 62.300 -0.158 0.000 1.027 459 V CB -1.238 30.509 31.823 -0.127 0.000 0.646 459 V HN 0.641 nan 8.190 nan 0.000 0.447 460 A N -0.641 122.046 122.820 -0.221 0.000 1.978 460 A HA -0.247 4.088 4.320 0.025 0.000 0.220 460 A C 2.058 179.562 177.584 -0.133 0.000 1.170 460 A CA 1.878 53.771 52.037 -0.239 0.000 0.636 460 A CB -0.455 18.393 19.000 -0.254 0.000 0.810 460 A HN 0.664 nan 8.150 nan 0.000 0.448 461 E N -1.803 118.334 120.200 -0.105 0.000 2.502 461 E HA 0.253 4.618 4.350 0.025 0.000 0.194 461 E C 1.208 177.776 176.600 -0.053 0.000 1.062 461 E CA 0.298 56.656 56.400 -0.069 0.000 0.867 461 E CB -0.071 29.594 29.700 -0.059 0.000 0.888 461 E HN 0.751 nan 8.360 nan 0.000 0.510 462 G N 0.917 109.681 108.800 -0.060 0.000 2.195 462 G HA2 -0.307 3.668 3.960 0.025 0.000 0.246 462 G HA3 -0.307 3.668 3.960 0.025 0.000 0.246 462 G C 0.943 175.827 174.900 -0.026 0.000 0.984 462 G CA 0.277 45.357 45.100 -0.034 0.000 0.633 462 G HN 0.299 nan 8.290 nan 0.000 0.525 463 I N 1.215 121.763 120.570 -0.037 0.000 2.353 463 I HA -0.047 4.138 4.170 0.025 0.000 0.248 463 I C 0.194 176.308 176.117 -0.005 0.000 1.119 463 I CA 1.346 62.639 61.300 -0.012 0.000 1.417 463 I CB -0.712 37.285 38.000 -0.006 0.000 1.078 463 I HN 0.150 nan 8.210 nan 0.000 0.421 464 P HA -0.189 nan 4.420 nan 0.000 0.216 464 P C 1.551 178.876 177.300 0.042 0.000 1.153 464 P CA 1.405 64.401 63.100 -0.174 0.000 0.848 464 P CB -0.012 31.308 31.700 -0.634 0.000 0.787 465 K N -0.327 120.079 120.400 0.011 0.000 2.063 465 K HA -0.182 4.153 4.320 0.025 0.000 0.208 465 K C 1.980 178.618 176.600 0.064 0.000 1.048 465 K CA 1.189 57.511 56.287 0.057 0.000 0.928 465 K CB -0.837 31.695 32.500 0.052 0.000 0.713 465 K HN -0.070 nan 8.250 nan 0.000 0.442 466 L N 1.525 122.778 121.223 0.050 0.000 2.013 466 L HA -0.204 4.151 4.340 0.025 0.000 0.212 466 L C 2.148 179.057 176.870 0.065 0.000 1.073 466 L CA 1.726 56.595 54.840 0.048 0.000 0.753 466 L CB -0.426 41.655 42.059 0.037 0.000 0.890 466 L HN 0.144 nan 8.230 nan 0.000 0.432 467 R N -0.170 120.390 120.500 0.099 0.000 2.092 467 R HA -0.040 4.316 4.340 0.025 0.000 0.231 467 R C 2.320 178.668 176.300 0.079 0.000 1.119 467 R CA 1.776 57.938 56.100 0.104 0.000 0.970 467 R CB -0.887 29.518 30.300 0.175 0.000 0.864 467 R HN 0.487 nan 8.270 nan 0.000 0.440 468 I N 0.828 121.464 120.570 0.110 0.000 2.252 468 I HA -0.233 3.952 4.170 0.025 0.000 0.245 468 I C 1.962 178.090 176.117 0.018 0.000 1.102 468 I CA 1.370 62.705 61.300 0.058 0.000 1.385 468 I CB -0.275 37.778 38.000 0.089 0.000 1.064 468 I HN 0.208 nan 8.210 nan 0.000 0.414 469 E N 0.565 120.784 120.200 0.032 0.000 2.150 469 E HA -0.200 4.165 4.350 0.025 0.000 0.193 469 E C 2.007 178.624 176.600 0.028 0.000 0.985 469 E CA 0.838 57.251 56.400 0.023 0.000 0.814 469 E CB -0.004 29.713 29.700 0.027 0.000 0.752 469 E HN 0.515 nan 8.360 nan 0.000 0.466 470 E N 0.301 120.521 120.200 0.034 0.000 2.077 470 E HA -0.195 4.170 4.350 0.025 0.000 0.193 470 E C 2.184 178.798 176.600 0.024 0.000 0.989 470 E CA 0.903 57.325 56.400 0.037 0.000 0.800 470 E CB -0.219 29.503 29.700 0.036 0.000 0.746 470 E HN 0.227 nan 8.360 nan 0.000 0.452 471 C N 0.663 119.962 119.300 -0.000 0.000 2.413 471 C HA -0.153 4.322 4.460 0.025 0.000 0.276 471 C C 2.915 177.885 174.990 -0.034 0.000 1.248 471 C CA 1.267 60.267 59.018 -0.029 0.000 1.742 471 C CB -0.917 26.787 27.740 -0.061 0.000 2.017 471 C HN 0.520 nan 8.230 nan 0.000 0.481 472 A N -0.080 122.718 122.820 -0.037 0.000 1.930 472 A HA 0.128 4.464 4.320 0.025 0.000 0.217 472 A C 2.410 180.021 177.584 0.045 0.000 1.175 472 A CA 2.095 54.108 52.037 -0.040 0.000 0.627 472 A CB -0.997 17.972 19.000 -0.051 0.000 0.815 472 A HN 0.769 nan 8.150 nan 0.000 0.443 473 A N -0.126 122.743 122.820 0.081 0.000 1.877 473 A HA -0.148 4.187 4.320 0.025 0.000 0.216 473 A C 2.252 179.947 177.584 0.185 0.000 1.186 473 A CA 1.466 53.609 52.037 0.176 0.000 0.620 473 A CB -0.467 18.634 19.000 0.169 0.000 0.822 473 A HN 0.535 nan 8.150 nan 0.000 0.443 474 R N -1.071 119.482 120.500 0.089 0.000 2.073 474 R HA -0.136 4.219 4.340 0.025 0.000 0.234 474 R C 2.523 178.840 176.300 0.028 0.000 1.134 474 R CA 1.685 57.807 56.100 0.038 0.000 0.952 474 R CB -0.304 30.005 30.300 0.015 0.000 0.850 474 R HN 0.551 nan 8.270 nan 0.000 0.433 475 R N 0.691 121.214 120.500 0.038 0.000 2.096 475 R HA -0.199 4.156 4.340 0.025 0.000 0.235 475 R C 2.278 178.650 176.300 0.119 0.000 1.127 475 R CA 1.618 57.752 56.100 0.056 0.000 0.968 475 R CB -0.045 30.261 30.300 0.011 0.000 0.861 475 R HN 0.059 nan 8.270 nan 0.000 0.440 476 Q N -0.017 119.887 119.800 0.174 0.000 2.124 476 Q HA -0.049 4.307 4.340 0.025 0.000 0.202 476 Q C 1.807 177.953 176.000 0.244 0.000 0.977 476 Q CA 2.002 57.968 55.803 0.272 0.000 0.850 476 Q CB -0.236 28.717 28.738 0.359 0.000 0.901 476 Q HN 0.438 nan 8.270 nan 0.000 0.429 477 A N 0.439 123.286 122.820 0.045 0.000 1.902 477 A HA -0.207 4.128 4.320 0.025 0.000 0.217 477 A C 2.046 179.455 177.584 -0.291 0.000 1.181 477 A CA 1.567 53.395 52.037 -0.347 0.000 0.623 477 A CB -0.470 18.171 19.000 -0.599 0.000 0.818 477 A HN 0.385 nan 8.150 nan 0.000 0.443 478 R N -0.609 119.801 120.500 -0.149 0.000 2.081 478 R HA -0.060 4.296 4.340 0.025 0.000 0.235 478 R C 1.994 178.240 176.300 -0.089 0.000 1.131 478 R CA 1.581 57.603 56.100 -0.129 0.000 0.960 478 R CB -0.526 29.756 30.300 -0.031 0.000 0.856 478 R HN 0.578 nan 8.270 nan 0.000 0.436 479 I N 0.952 121.527 120.570 0.009 0.000 2.202 479 I HA -0.245 3.940 4.170 0.025 0.000 0.242 479 I C 1.585 177.714 176.117 0.020 0.000 1.091 479 I CA 1.290 62.619 61.300 0.049 0.000 1.368 479 I CB -0.278 37.803 38.000 0.136 0.000 1.058 479 I HN 0.041 nan 8.210 nan 0.000 0.410 480 D N 0.324 120.758 120.400 0.056 0.000 2.178 480 D HA -0.134 4.521 4.640 0.025 0.000 0.202 480 D C 2.339 178.621 176.300 -0.030 0.000 0.974 480 D CA 1.694 55.775 54.000 0.134 0.000 0.841 480 D CB -0.137 40.908 40.800 0.408 0.000 0.953 480 D HN 0.344 nan 8.370 nan 0.000 0.478 481 S N -1.392 114.044 115.700 -0.440 0.000 2.501 481 S HA 0.234 4.720 4.470 0.025 0.000 0.220 481 S C 1.798 176.220 174.600 -0.297 0.000 0.997 481 S CA 0.822 58.600 58.200 -0.704 0.000 0.919 481 S CB 0.543 62.934 63.200 -1.348 0.000 0.778 481 S HN 0.301 nan 8.310 nan 0.000 0.523 482 G N 1.188 109.879 108.800 -0.182 0.000 2.176 482 G HA2 -0.333 3.642 3.960 0.025 0.000 0.232 482 G HA3 -0.333 3.642 3.960 0.025 0.000 0.232 482 G C 1.066 175.910 174.900 -0.092 0.000 0.986 482 G CA 0.756 45.794 45.100 -0.103 0.000 0.643 482 G HN 1.242 nan 8.290 nan 0.000 0.522 483 S N -0.413 115.214 115.700 -0.121 0.000 2.453 483 S HA 0.168 4.654 4.470 0.025 0.000 0.231 483 S C 0.748 175.333 174.600 -0.025 0.000 1.005 483 S CA 1.302 59.458 58.200 -0.074 0.000 0.949 483 S CB 0.280 63.428 63.200 -0.087 0.000 0.774 483 S HN 0.746 nan 8.310 nan 0.000 0.510 484 E N 1.212 121.403 120.200 -0.015 0.000 2.134 484 E HA 0.444 4.810 4.350 0.025 0.000 0.278 484 E C -1.408 175.207 176.600 0.024 0.000 0.959 484 E CA -0.654 55.765 56.400 0.030 0.000 0.783 484 E CB 1.504 31.247 29.700 0.072 0.000 1.095 484 E HN 0.122 nan 8.360 nan 0.000 0.399 485 V N 6.641 126.573 119.914 0.030 0.000 2.498 485 V HA 0.270 4.405 4.120 0.025 0.000 0.279 485 V C 0.172 176.294 176.094 0.047 0.000 1.048 485 V CA -0.250 62.071 62.300 0.036 0.000 0.967 485 V CB 0.999 32.856 31.823 0.056 0.000 0.988 485 V HN 0.632 nan 8.190 nan 0.000 0.473 486 I N 5.372 125.966 120.570 0.040 0.000 2.411 486 I HA 0.306 4.491 4.170 0.025 0.000 0.284 486 I C -0.195 175.958 176.117 0.060 0.000 1.012 486 I CA -0.753 60.564 61.300 0.027 0.000 1.119 486 I CB 1.798 39.786 38.000 -0.021 0.000 1.261 486 I HN 0.263 nan 8.210 nan 0.000 0.448 487 V N 6.147 126.110 119.914 0.083 0.000 2.540 487 V HA 0.203 4.338 4.120 0.025 0.000 0.297 487 V C 1.364 177.514 176.094 0.093 0.000 1.024 487 V CA 1.353 63.738 62.300 0.141 0.000 1.105 487 V CB 0.413 32.274 31.823 0.063 0.000 0.938 487 V HN 1.160 nan 8.190 nan 0.000 0.482 488 G N 3.524 112.403 108.800 0.131 0.000 2.225 488 G HA2 -0.238 3.737 3.960 0.025 0.000 0.254 488 G HA3 -0.238 3.737 3.960 0.025 0.000 0.254 488 G C 0.441 175.372 174.900 0.052 0.000 0.988 488 G CA 0.416 45.566 45.100 0.083 0.000 0.625 488 G HN 0.661 nan 8.290 nan 0.000 0.527 489 V N 0.775 120.713 119.914 0.041 0.000 2.950 489 V HA 0.177 4.312 4.120 0.025 0.000 0.231 489 V C 1.728 177.834 176.094 0.019 0.000 1.205 489 V CA 1.785 64.097 62.300 0.019 0.000 1.239 489 V CB 0.248 32.067 31.823 -0.007 0.000 1.050 489 V HN 0.594 nan 8.190 nan 0.000 0.498 490 N N 0.010 118.719 118.700 0.015 0.000 2.177 490 N HA 0.195 4.950 4.740 0.025 0.000 0.218 490 N C -0.176 175.312 175.510 -0.036 0.000 1.182 490 N CA -0.048 53.003 53.050 0.001 0.000 0.882 490 N CB 0.714 39.204 38.487 0.005 0.000 1.052 490 N HN 0.486 nan 8.380 nan 0.000 0.519 491 K N -0.356 120.021 120.400 -0.038 0.000 2.578 491 K HA 0.157 4.492 4.320 0.025 0.000 0.269 491 K C -1.213 175.345 176.600 -0.069 0.000 0.941 491 K CA -0.584 55.596 56.287 -0.178 0.000 0.847 491 K CB 0.866 33.206 32.500 -0.268 0.000 1.397 491 K HN -0.060 nan 8.250 nan 0.000 0.422 492 Y N -0.622 119.676 120.300 -0.002 0.000 3.389 492 Y HA -0.258 4.311 4.550 0.033 0.000 0.213 492 Y C -0.494 175.406 175.900 0.000 0.000 1.272 492 Y CA 0.567 58.666 58.100 -0.002 0.000 1.444 492 Y CB -2.269 36.188 38.460 -0.006 0.000 1.445 492 Y HN 0.548 nan 8.280 nan 0.000 0.583 493 Q N 0.472 120.318 119.800 0.077 0.000 2.352 493 Q HA 0.515 4.870 4.340 0.025 0.000 0.260 493 Q C 0.254 176.289 176.000 0.057 0.000 0.976 493 Q CA -0.362 55.477 55.803 0.059 0.000 0.881 493 Q CB 0.722 29.477 28.738 0.030 0.000 1.235 493 Q HN 0.442 nan 8.270 nan 0.000 0.419 494 L N 2.005 123.258 121.223 0.050 0.000 2.410 494 L HA 0.236 4.591 4.340 0.025 0.000 0.273 494 L C 0.801 177.689 176.870 0.030 0.000 1.152 494 L CA -0.273 54.591 54.840 0.040 0.000 0.855 494 L CB 0.302 42.382 42.059 0.036 0.000 1.129 494 L HN 0.738 nan 8.230 nan 0.000 0.463 495 E N 3.274 123.490 120.200 0.026 0.000 2.166 495 E HA 0.417 4.782 4.350 0.025 0.000 0.279 495 E C 0.793 177.404 176.600 0.018 0.000 1.095 495 E CA 0.112 56.524 56.400 0.020 0.000 0.888 495 E CB 0.492 30.202 29.700 0.017 0.000 1.041 495 E HN 0.665 nan 8.360 nan 0.000 0.414 496 K N 2.084 122.494 120.400 0.017 0.000 3.161 496 K HA -0.165 4.170 4.320 0.025 0.000 0.270 496 K C 0.206 176.815 176.600 0.015 0.000 1.115 496 K CA 1.350 57.646 56.287 0.014 0.000 0.789 496 K CB -2.604 29.903 32.500 0.011 0.000 1.256 496 K HN 1.197 nan 8.250 nan 0.000 0.492 497 E N 0.471 120.682 120.200 0.019 0.000 2.415 497 E HA 0.403 4.769 4.350 0.025 0.000 0.263 497 E C 0.229 176.841 176.600 0.019 0.000 0.995 497 E CA 0.645 57.059 56.400 0.023 0.000 0.915 497 E CB 0.486 30.204 29.700 0.030 0.000 0.951 497 E HN 0.715 nan 8.360 nan 0.000 0.449 498 D N 4.164 124.577 120.400 0.022 0.000 2.467 498 D HA 0.202 4.858 4.640 0.025 0.000 0.220 498 D C -0.163 176.152 176.300 0.024 0.000 1.103 498 D CA -0.480 53.530 54.000 0.017 0.000 0.886 498 D CB 1.077 41.887 40.800 0.016 0.000 1.025 498 D HN 0.420 nan 8.370 nan 0.000 0.514 499 T N 0.748 115.311 114.554 0.015 0.000 2.926 499 T HA 0.486 4.851 4.350 0.025 0.000 0.307 499 T C 1.084 175.792 174.700 0.013 0.000 1.059 499 T CA 0.210 62.320 62.100 0.017 0.000 1.122 499 T CB 1.081 69.950 68.868 0.002 0.000 0.972 499 T HN 0.801 nan 8.240 nan 0.000 0.545 500 V N 1.537 121.464 119.914 0.023 0.000 2.843 500 V HA 0.560 4.695 4.120 0.025 0.000 0.305 500 V C 0.742 176.833 176.094 -0.004 0.000 1.065 500 V CA -0.502 61.807 62.300 0.016 0.000 1.116 500 V CB -0.515 31.322 31.823 0.024 0.000 0.968 500 V HN 1.059 nan 8.190 nan 0.000 0.487 501 E N 3.550 123.746 120.200 -0.008 0.000 2.376 501 E HA 0.473 4.839 4.350 0.025 0.000 0.266 501 E C -0.336 176.253 176.600 -0.019 0.000 1.009 501 E CA -0.001 56.390 56.400 -0.016 0.000 0.902 501 E CB 0.933 30.625 29.700 -0.014 0.000 0.972 501 E HN 1.161 nan 8.360 nan 0.000 0.439 502 V N 5.050 124.951 119.914 -0.021 0.000 2.320 502 V HA 0.180 4.315 4.120 0.025 0.000 0.265 502 V C 0.460 176.546 176.094 -0.014 0.000 1.048 502 V CA -0.377 61.910 62.300 -0.021 0.000 0.865 502 V CB 0.150 31.961 31.823 -0.021 0.000 1.043 502 V HN 0.749 nan 8.190 nan 0.000 0.474 503 L N 4.565 125.778 121.223 -0.017 0.000 2.499 503 L HA 0.258 4.613 4.340 0.025 0.000 0.273 503 L C 1.109 177.972 176.870 -0.012 0.000 1.195 503 L CA 0.242 55.073 54.840 -0.015 0.000 0.882 503 L CB 0.390 42.438 42.059 -0.018 0.000 1.133 503 L HN 0.711 nan 8.230 nan 0.000 0.483 504 A N 5.891 128.705 122.820 -0.010 0.000 2.462 504 A HA 0.455 4.790 4.320 0.025 0.000 0.243 504 A C -0.130 177.436 177.584 -0.031 0.000 1.076 504 A CA -0.176 51.851 52.037 -0.015 0.000 0.773 504 A CB 0.020 19.005 19.000 -0.025 0.000 1.010 504 A HN 0.650 nan 8.150 nan 0.000 0.493 505 I N 1.736 122.286 120.570 -0.033 0.000 2.339 505 I HA 0.185 4.370 4.170 0.025 0.000 0.290 505 I C -0.447 175.643 176.117 -0.046 0.000 0.994 505 I CA -0.425 60.855 61.300 -0.033 0.000 1.191 505 I CB 1.676 39.662 38.000 -0.024 0.000 1.343 505 I HN 0.743 nan 8.210 nan 0.000 0.458 506 D N 4.971 125.343 120.400 -0.047 0.000 2.264 506 D HA 0.100 4.756 4.640 0.025 0.000 0.250 506 D C 0.782 177.059 176.300 -0.039 0.000 1.113 506 D CA -0.326 53.642 54.000 -0.053 0.000 0.871 506 D CB 0.872 41.639 40.800 -0.055 0.000 1.167 506 D HN 0.565 nan 8.370 nan 0.000 0.447 507 N N 2.097 120.773 118.700 -0.039 0.000 2.203 507 N HA -0.038 4.717 4.740 0.025 0.000 0.207 507 N C 0.695 176.190 175.510 -0.026 0.000 1.130 507 N CA -0.101 52.933 53.050 -0.027 0.000 0.861 507 N CB 0.132 38.606 38.487 -0.021 0.000 1.005 507 N HN 0.293 nan 8.380 nan 0.000 0.507 508 T N 0.053 114.588 114.554 -0.031 0.000 2.635 508 T HA -0.186 4.179 4.350 0.025 0.000 0.267 508 T C 1.755 176.442 174.700 -0.021 0.000 1.040 508 T CA 1.994 64.078 62.100 -0.027 0.000 1.156 508 T CB -0.399 68.452 68.868 -0.029 0.000 0.863 508 T HN 0.360 nan 8.240 nan 0.000 0.430 509 S N 0.076 115.764 115.700 -0.021 0.000 2.348 509 S HA -0.102 4.383 4.470 0.025 0.000 0.221 509 S C 2.228 176.818 174.600 -0.016 0.000 1.033 509 S CA 1.178 59.368 58.200 -0.018 0.000 1.010 509 S CB -0.482 62.706 63.200 -0.019 0.000 0.891 509 S HN 0.311 nan 8.310 nan 0.000 0.442 510 V N 2.056 121.961 119.914 -0.016 0.000 2.407 510 V HA -0.130 4.005 4.120 0.025 0.000 0.248 510 V C 2.514 178.603 176.094 -0.009 0.000 1.055 510 V CA 2.050 64.342 62.300 -0.013 0.000 1.049 510 V CB -0.725 31.092 31.823 -0.011 0.000 0.662 510 V HN 0.422 nan 8.190 nan 0.000 0.455 511 R N 0.373 120.867 120.500 -0.010 0.000 2.066 511 R HA -0.147 4.208 4.340 0.025 0.000 0.232 511 R C 2.268 178.563 176.300 -0.007 0.000 1.131 511 R CA 1.787 57.883 56.100 -0.007 0.000 0.955 511 R CB -0.292 30.002 30.300 -0.011 0.000 0.851 511 R HN 0.544 nan 8.270 nan 0.000 0.432 512 N N 0.629 119.323 118.700 -0.010 0.000 2.120 512 N HA -0.163 4.592 4.740 0.025 0.000 0.188 512 N C 1.839 177.344 175.510 -0.008 0.000 1.024 512 N CA 1.304 54.349 53.050 -0.009 0.000 0.852 512 N CB -0.172 38.309 38.487 -0.011 0.000 1.003 512 N HN 0.286 nan 8.380 nan 0.000 0.424 513 R N 0.764 121.258 120.500 -0.010 0.000 2.083 513 R HA -0.158 4.197 4.340 0.025 0.000 0.237 513 R C 2.262 178.558 176.300 -0.007 0.000 1.137 513 R CA 1.357 57.452 56.100 -0.010 0.000 0.951 513 R CB -0.223 30.069 30.300 -0.014 0.000 0.851 513 R HN 0.176 nan 8.270 nan 0.000 0.434 514 Q N 0.915 120.712 119.800 -0.005 0.000 2.119 514 Q HA -0.049 4.306 4.340 0.025 0.000 0.201 514 Q C 1.812 177.814 176.000 0.003 0.000 0.972 514 Q CA 1.458 57.261 55.803 0.000 0.000 0.847 514 Q CB -0.063 28.678 28.738 0.005 0.000 0.903 514 Q HN 0.357 nan 8.270 nan 0.000 0.433 515 I N 0.280 120.851 120.570 0.001 0.000 2.226 515 I HA -0.225 3.960 4.170 0.025 0.000 0.245 515 I C 2.183 178.300 176.117 0.001 0.000 1.100 515 I CA 1.291 62.593 61.300 0.002 0.000 1.374 515 I CB -0.253 37.747 38.000 -0.000 0.000 1.057 515 I HN 0.255 nan 8.210 nan 0.000 0.413 516 E N 1.644 121.843 120.200 -0.001 0.000 2.077 516 E HA -0.218 4.148 4.350 0.025 0.000 0.193 516 E C 2.042 178.641 176.600 -0.001 0.000 0.989 516 E CA 1.602 58.000 56.400 -0.002 0.000 0.800 516 E CB -0.061 29.637 29.700 -0.004 0.000 0.746 516 E HN 0.269 nan 8.360 nan 0.000 0.452 517 K N -0.289 120.111 120.400 -0.001 0.000 2.032 517 K HA -0.182 4.153 4.320 0.025 0.000 0.209 517 K C 2.166 178.768 176.600 0.003 0.000 1.048 517 K CA 1.456 57.744 56.287 0.000 0.000 0.927 517 K CB -0.385 32.115 32.500 0.000 0.000 0.712 517 K HN 0.158 nan 8.250 nan 0.000 0.441 518 L N 1.794 123.021 121.223 0.005 0.000 2.027 518 L HA -0.197 4.159 4.340 0.025 0.000 0.206 518 L C 2.486 179.360 176.870 0.006 0.000 1.074 518 L CA 2.468 57.313 54.840 0.008 0.000 0.745 518 L CB -0.830 41.235 42.059 0.011 0.000 0.898 518 L HN 0.073 nan 8.230 nan 0.000 0.433 519 K N 0.053 120.456 120.400 0.004 0.000 2.074 519 K HA -0.253 4.082 4.320 0.025 0.000 0.209 519 K C 2.219 178.820 176.600 0.002 0.000 1.048 519 K CA 2.270 58.559 56.287 0.003 0.000 0.926 519 K CB -1.021 31.480 32.500 0.002 0.000 0.713 519 K HN 0.574 nan 8.250 nan 0.000 0.444 520 K N -0.298 120.103 120.400 0.002 0.000 2.097 520 K HA 0.056 4.391 4.320 0.025 0.000 0.205 520 K C 2.148 178.749 176.600 0.002 0.000 1.050 520 K CA 1.220 57.508 56.287 0.001 0.000 0.938 520 K CB -0.127 32.373 32.500 0.000 0.000 0.718 520 K HN 0.259 nan 8.250 nan 0.000 0.442 521 I N 1.801 122.373 120.570 0.003 0.000 2.202 521 I HA -0.239 3.946 4.170 0.025 0.000 0.242 521 I C 1.817 177.936 176.117 0.003 0.000 1.091 521 I CA 1.628 62.930 61.300 0.004 0.000 1.368 521 I CB -0.881 37.123 38.000 0.006 0.000 1.058 521 I HN 0.135 nan 8.210 nan 0.000 0.410 522 K N 0.292 120.694 120.400 0.003 0.000 2.147 522 K HA -0.143 4.192 4.320 0.025 0.000 0.205 522 K C 2.339 178.940 176.600 0.001 0.000 1.049 522 K CA 1.536 57.825 56.287 0.003 0.000 0.936 522 K CB -0.194 32.309 32.500 0.004 0.000 0.722 522 K HN 0.165 nan 8.250 nan 0.000 0.446 523 S N 0.683 116.384 115.700 0.001 0.000 2.387 523 S HA -0.097 4.388 4.470 0.025 0.000 0.226 523 S C 1.929 176.529 174.600 -0.000 0.000 1.026 523 S CA 1.623 59.824 58.200 0.000 0.000 0.972 523 S CB -0.062 63.138 63.200 0.000 0.000 0.814 523 S HN 0.403 nan 8.310 nan 0.000 0.477 524 S N 1.179 116.879 115.700 -0.000 0.000 2.524 524 S HA 0.180 4.665 4.470 0.025 0.000 0.216 524 S C 0.785 175.384 174.600 -0.001 0.000 0.987 524 S CA -0.707 57.493 58.200 -0.001 0.000 0.909 524 S CB -0.380 62.820 63.200 -0.001 0.000 0.781 524 S HN 0.692 nan 8.310 nan 0.000 0.521 525 R N 1.161 121.660 120.500 -0.001 0.000 2.637 525 R HA 0.320 4.675 4.340 0.025 0.000 0.269 525 R C -0.740 175.558 176.300 -0.003 0.000 1.089 525 R CA -0.510 55.588 56.100 -0.002 0.000 1.177 525 R CB 0.001 30.300 30.300 -0.002 0.000 1.091 525 R HN -0.005 nan 8.270 nan 0.000 0.540 526 D N 1.004 121.401 120.400 -0.004 0.000 2.342 526 D HA -0.046 4.610 4.640 0.025 0.000 0.260 526 D C 0.569 176.865 176.300 -0.005 0.000 1.278 526 D CA 0.130 54.127 54.000 -0.005 0.000 0.910 526 D CB 1.307 42.103 40.800 -0.006 0.000 1.079 526 D HN 0.605 nan 8.370 nan 0.000 0.496 527 Q N 4.101 123.898 119.800 -0.005 0.000 2.083 527 Q HA -0.061 4.294 4.340 0.025 0.000 0.198 527 Q C 1.758 177.754 176.000 -0.006 0.000 0.969 527 Q CA 1.929 57.729 55.803 -0.005 0.000 0.838 527 Q CB -0.278 28.457 28.738 -0.004 0.000 0.900 527 Q HN 0.560 nan 8.270 nan 0.000 0.436 528 A N 0.311 123.127 122.820 -0.006 0.000 1.883 528 A HA -0.164 4.171 4.320 0.025 0.000 0.217 528 A C 2.031 179.610 177.584 -0.009 0.000 1.186 528 A CA 1.608 53.640 52.037 -0.007 0.000 0.624 528 A CB -0.986 18.011 19.000 -0.007 0.000 0.822 528 A HN 0.474 nan 8.150 nan 0.000 0.444 529 L N -0.195 121.023 121.223 -0.009 0.000 2.017 529 L HA -0.082 4.273 4.340 0.025 0.000 0.208 529 L C 2.682 179.545 176.870 -0.012 0.000 1.073 529 L CA 2.271 57.105 54.840 -0.010 0.000 0.745 529 L CB -0.910 41.143 42.059 -0.010 0.000 0.894 529 L HN 0.366 nan 8.230 nan 0.000 0.432 530 A N -0.547 122.266 122.820 -0.011 0.000 1.873 530 A HA -0.288 4.047 4.320 0.025 0.000 0.218 530 A C 2.168 179.744 177.584 -0.014 0.000 1.193 530 A CA 2.140 54.170 52.037 -0.012 0.000 0.629 530 A CB -0.850 18.145 19.000 -0.009 0.000 0.826 530 A HN 0.633 nan 8.150 nan 0.000 0.447 531 E N -0.771 119.422 120.200 -0.012 0.000 2.085 531 E HA -0.204 4.161 4.350 0.025 0.000 0.194 531 E C 2.355 178.944 176.600 -0.018 0.000 0.994 531 E CA 1.132 57.523 56.400 -0.014 0.000 0.801 531 E CB -0.201 29.492 29.700 -0.011 0.000 0.743 531 E HN 0.504 nan 8.360 nan 0.000 0.453 532 R N 0.072 120.562 120.500 -0.016 0.000 2.096 532 R HA -0.111 4.244 4.340 0.025 0.000 0.235 532 R C 2.444 178.731 176.300 -0.022 0.000 1.127 532 R CA 1.252 57.341 56.100 -0.018 0.000 0.968 532 R CB -0.392 29.899 30.300 -0.015 0.000 0.861 532 R HN 0.281 nan 8.270 nan 0.000 0.440 533 C N 0.500 119.787 119.300 -0.022 0.000 2.440 533 C HA -0.005 4.471 4.460 0.025 0.000 0.278 533 C C 2.590 177.560 174.990 -0.033 0.000 1.295 533 C CA 0.407 59.409 59.018 -0.027 0.000 1.738 533 C CB -0.808 26.917 27.740 -0.026 0.000 1.987 533 C HN 0.419 nan 8.230 nan 0.000 0.492 534 L N 1.101 122.305 121.223 -0.032 0.000 2.056 534 L HA -0.092 4.263 4.340 0.025 0.000 0.207 534 L C 2.913 179.756 176.870 -0.046 0.000 1.078 534 L CA 1.476 56.294 54.840 -0.038 0.000 0.749 534 L CB -0.844 41.197 42.059 -0.030 0.000 0.901 534 L HN 0.295 nan 8.230 nan 0.000 0.433 535 A N 0.311 123.108 122.820 -0.039 0.000 1.908 535 A HA -0.207 4.128 4.320 0.025 0.000 0.218 535 A C 2.513 180.069 177.584 -0.047 0.000 1.181 535 A CA 1.917 53.929 52.037 -0.041 0.000 0.627 535 A CB -0.693 18.289 19.000 -0.030 0.000 0.818 535 A HN 0.408 nan 8.150 nan 0.000 0.445 536 A N -0.673 122.122 122.820 -0.042 0.000 1.969 536 A HA 0.078 4.413 4.320 0.025 0.000 0.218 536 A C 2.142 179.692 177.584 -0.056 0.000 1.169 536 A CA 1.262 53.274 52.037 -0.041 0.000 0.635 536 A CB -0.494 18.488 19.000 -0.031 0.000 0.810 536 A HN 0.461 nan 8.150 nan 0.000 0.445 537 L N -0.746 120.438 121.223 -0.065 0.000 2.017 537 L HA -0.175 4.180 4.340 0.025 0.000 0.208 537 L C 2.831 179.621 176.870 -0.133 0.000 1.073 537 L CA 1.885 56.672 54.840 -0.089 0.000 0.745 537 L CB -0.734 41.273 42.059 -0.086 0.000 0.894 537 L HN 0.338 nan 8.230 nan 0.000 0.432 538 T N -1.261 113.215 114.554 -0.130 0.000 2.746 538 T HA -0.229 4.136 4.350 0.025 0.000 0.267 538 T C 1.761 176.373 174.700 -0.146 0.000 1.039 538 T CA 1.603 63.605 62.100 -0.164 0.000 1.142 538 T CB -0.145 68.651 68.868 -0.119 0.000 0.866 538 T HN 0.241 nan 8.240 nan 0.000 0.444 539 E N 0.543 120.685 120.200 -0.097 0.000 2.106 539 E HA -0.103 4.262 4.350 0.025 0.000 0.192 539 E C 2.303 178.861 176.600 -0.070 0.000 0.984 539 E CA 0.907 57.263 56.400 -0.073 0.000 0.806 539 E CB -0.922 28.749 29.700 -0.048 0.000 0.750 539 E HN 0.490 nan 8.360 nan 0.000 0.458 540 C N 0.020 119.276 119.300 -0.073 0.000 2.429 540 C HA 0.036 4.511 4.460 0.025 0.000 0.277 540 C C 2.763 177.713 174.990 -0.066 0.000 1.262 540 C CA 1.523 60.508 59.018 -0.054 0.000 1.733 540 C CB -1.375 26.337 27.740 -0.046 0.000 2.010 540 C HN 0.565 nan 8.230 nan 0.000 0.483 541 A N 0.275 122.999 122.820 -0.159 0.000 1.902 541 A HA 0.142 4.477 4.320 0.025 0.000 0.217 541 A C 2.467 179.965 177.584 -0.143 0.000 1.181 541 A CA 2.220 54.101 52.037 -0.260 0.000 0.623 541 A CB -1.094 17.419 19.000 -0.812 0.000 0.818 541 A HN 0.854 nan 8.150 nan 0.000 0.443 542 A N 0.052 122.788 122.820 -0.139 0.000 1.872 542 A HA -0.041 4.294 4.320 0.025 0.000 0.214 542 A C 2.530 180.102 177.584 -0.021 0.000 1.187 542 A CA 2.305 54.300 52.037 -0.070 0.000 0.614 542 A CB -0.808 18.147 19.000 -0.074 0.000 0.826 542 A HN 0.957 nan 8.150 nan 0.000 0.442 543 S N -2.267 113.420 115.700 -0.022 0.000 2.439 543 S HA 0.350 4.835 4.470 0.025 0.000 0.224 543 S C 1.627 176.232 174.600 0.009 0.000 1.029 543 S CA 1.290 59.487 58.200 -0.006 0.000 0.946 543 S CB -0.291 62.903 63.200 -0.011 0.000 0.797 543 S HN 1.955 nan 8.310 nan 0.000 0.504 544 G N 1.218 110.028 108.800 0.016 0.000 2.179 544 G HA2 -0.184 3.791 3.960 0.025 0.000 0.260 544 G HA3 -0.184 3.791 3.960 0.025 0.000 0.260 544 G C -0.533 174.380 174.900 0.022 0.000 0.977 544 G CA 0.237 45.354 45.100 0.029 0.000 0.641 544 G HN 0.572 nan 8.290 nan 0.000 0.533 545 D N 1.083 121.490 120.400 0.013 0.000 2.225 545 D HA 0.555 5.210 4.640 0.025 0.000 0.248 545 D C 0.913 177.222 176.300 0.015 0.000 1.096 545 D CA 1.386 55.394 54.000 0.013 0.000 0.863 545 D CB 1.057 41.861 40.800 0.007 0.000 1.156 545 D HN 1.390 nan 8.370 nan 0.000 0.450 546 G N 2.257 111.072 108.800 0.025 0.000 2.712 546 G HA2 -0.191 3.785 3.960 0.025 0.000 0.683 546 G HA3 -0.191 3.785 3.960 0.025 0.000 0.683 546 G C -0.600 174.326 174.900 0.044 0.000 1.320 546 G CA -0.900 44.220 45.100 0.033 0.000 0.847 546 G HN 0.582 nan 8.290 nan 0.000 0.553 547 N N -0.243 118.493 118.700 0.059 0.000 2.392 547 N HA 0.413 5.168 4.740 0.025 0.000 0.283 547 N C 1.707 177.233 175.510 0.027 0.000 1.003 547 N CA -0.623 52.469 53.050 0.071 0.000 0.892 547 N CB 1.416 39.992 38.487 0.148 0.000 1.193 547 N HN 0.458 nan 8.380 nan 0.000 0.487 548 I N 2.417 122.992 120.570 0.009 0.000 2.226 548 I HA -0.256 3.929 4.170 0.025 0.000 0.245 548 I C 2.079 178.150 176.117 -0.077 0.000 1.100 548 I CA 0.798 62.084 61.300 -0.024 0.000 1.374 548 I CB -0.001 37.999 38.000 -0.000 0.000 1.057 548 I HN 0.504 nan 8.210 nan 0.000 0.413 549 L N 1.199 122.349 121.223 -0.122 0.000 2.056 549 L HA -0.100 4.255 4.340 0.025 0.000 0.207 549 L C 2.602 179.220 176.870 -0.420 0.000 1.078 549 L CA 2.060 56.723 54.840 -0.296 0.000 0.749 549 L CB -0.892 40.922 42.059 -0.409 0.000 0.901 549 L HN 0.177 nan 8.230 nan 0.000 0.433 550 A N -0.374 122.270 122.820 -0.293 0.000 1.892 550 A HA -0.227 4.108 4.320 0.025 0.000 0.218 550 A C 2.268 179.802 177.584 -0.084 0.000 1.188 550 A CA 2.309 54.284 52.037 -0.104 0.000 0.631 550 A CB -1.026 18.075 19.000 0.168 0.000 0.822 550 A HN 0.510 nan 8.150 nan 0.000 0.447 551 L N -1.153 120.032 121.223 -0.064 0.000 2.217 551 L HA -0.093 4.262 4.340 0.025 0.000 0.211 551 L C 2.942 179.769 176.870 -0.072 0.000 1.107 551 L CA 0.732 55.541 54.840 -0.052 0.000 0.783 551 L CB -0.386 41.649 42.059 -0.040 0.000 0.919 551 L HN 0.444 nan 8.230 nan 0.000 0.442 552 A N -0.511 122.248 122.820 -0.101 0.000 1.968 552 A HA -0.076 4.259 4.320 0.025 0.000 0.217 552 A C 2.314 179.838 177.584 -0.100 0.000 1.169 552 A CA 1.003 52.983 52.037 -0.095 0.000 0.638 552 A CB -0.507 18.431 19.000 -0.103 0.000 0.812 552 A HN 0.162 nan 8.150 nan 0.000 0.446 553 V N 0.714 120.546 119.914 -0.137 0.000 2.343 553 V HA -0.245 3.890 4.120 0.025 0.000 0.247 553 V C 2.146 178.200 176.094 -0.067 0.000 1.051 553 V CA 2.282 64.514 62.300 -0.113 0.000 1.036 553 V CB -0.726 31.014 31.823 -0.139 0.000 0.654 553 V HN 0.503 nan 8.190 nan 0.000 0.451 554 D N 0.559 120.925 120.400 -0.056 0.000 2.104 554 D HA -0.162 4.493 4.640 0.025 0.000 0.194 554 D C 2.247 178.526 176.300 -0.035 0.000 0.994 554 D CA 1.788 55.765 54.000 -0.038 0.000 0.830 554 D CB -0.390 40.392 40.800 -0.031 0.000 0.959 554 D HN 0.448 nan 8.370 nan 0.000 0.452 555 A N 0.567 123.363 122.820 -0.040 0.000 1.902 555 A HA -0.190 4.146 4.320 0.025 0.000 0.217 555 A C 2.340 179.907 177.584 -0.028 0.000 1.181 555 A CA 2.281 54.298 52.037 -0.033 0.000 0.623 555 A CB -0.809 18.169 19.000 -0.037 0.000 0.818 555 A HN 0.248 nan 8.150 nan 0.000 0.443 556 S N -0.655 115.026 115.700 -0.033 0.000 2.359 556 S HA -0.234 4.252 4.470 0.025 0.000 0.224 556 S C 2.219 176.809 174.600 -0.018 0.000 1.035 556 S CA 1.639 59.825 58.200 -0.023 0.000 1.018 556 S CB -0.412 62.772 63.200 -0.028 0.000 0.876 556 S HN 0.595 nan 8.310 nan 0.000 0.448 557 R N 0.392 120.877 120.500 -0.024 0.000 2.127 557 R HA -0.010 4.345 4.340 0.025 0.000 0.238 557 R C 1.896 178.188 176.300 -0.015 0.000 1.134 557 R CA 1.315 57.403 56.100 -0.020 0.000 0.975 557 R CB -0.500 29.785 30.300 -0.025 0.000 0.865 557 R HN 0.475 nan 8.270 nan 0.000 0.447 558 A N 0.364 123.174 122.820 -0.016 0.000 2.302 558 A HA 0.113 4.448 4.320 0.025 0.000 0.219 558 A C 0.209 177.788 177.584 -0.009 0.000 1.243 558 A CA -0.049 51.980 52.037 -0.013 0.000 0.856 558 A CB 0.092 19.084 19.000 -0.015 0.000 0.893 558 A HN 0.362 nan 8.150 nan 0.000 0.491 559 R N -2.217 118.279 120.500 -0.007 0.000 3.651 559 R HA -0.153 4.202 4.340 0.025 0.000 0.292 559 R C -0.226 176.072 176.300 -0.003 0.000 1.161 559 R CA 0.575 56.674 56.100 -0.003 0.000 0.787 559 R CB -3.534 26.766 30.300 -0.000 0.000 1.249 559 R HN 0.554 nan 8.270 nan 0.000 0.476 560 C N 0.312 119.607 119.300 -0.008 0.000 2.676 560 C HA 0.343 4.818 4.460 0.025 0.000 0.416 560 C C 1.838 176.825 174.990 -0.005 0.000 1.299 560 C CA 0.145 59.158 59.018 -0.008 0.000 2.048 560 C CB 0.462 28.193 27.740 -0.015 0.000 2.713 560 C HN 0.622 nan 8.230 nan 0.000 0.624 561 T N 0.105 114.657 114.554 -0.002 0.000 2.849 561 T HA 0.265 4.630 4.350 0.025 0.000 0.284 561 T C 1.075 175.770 174.700 -0.008 0.000 1.004 561 T CA -0.647 61.454 62.100 0.000 0.000 1.021 561 T CB 0.733 69.605 68.868 0.007 0.000 1.013 561 T HN 0.385 nan 8.240 nan 0.000 0.527 562 V N 2.348 122.255 119.914 -0.011 0.000 2.332 562 V HA -0.045 4.090 4.120 0.025 0.000 0.248 562 V C 2.861 178.931 176.094 -0.040 0.000 1.055 562 V CA 2.448 64.730 62.300 -0.031 0.000 1.038 562 V CB -1.524 30.276 31.823 -0.039 0.000 0.651 562 V HN 1.118 nan 8.190 nan 0.000 0.450 563 G N -0.666 108.120 108.800 -0.022 0.000 2.421 563 G HA2 -0.222 3.753 3.960 0.025 0.000 0.216 563 G HA3 -0.222 3.753 3.960 0.025 0.000 0.216 563 G C 1.459 176.350 174.900 -0.016 0.000 1.171 563 G CA 0.852 45.937 45.100 -0.025 0.000 0.775 563 G HN 0.568 nan 8.290 nan 0.000 0.543 564 E N 0.012 120.209 120.200 -0.004 0.000 2.077 564 E HA -0.058 4.307 4.350 0.025 0.000 0.193 564 E C 2.501 179.096 176.600 -0.008 0.000 0.989 564 E CA 0.634 57.032 56.400 -0.003 0.000 0.800 564 E CB -0.148 29.549 29.700 -0.003 0.000 0.746 564 E HN 0.467 nan 8.360 nan 0.000 0.452 565 I N 0.974 121.537 120.570 -0.011 0.000 2.179 565 I HA -0.273 3.912 4.170 0.025 0.000 0.242 565 I C 2.405 178.533 176.117 0.020 0.000 1.088 565 I CA 1.193 62.487 61.300 -0.010 0.000 1.357 565 I CB -0.377 37.613 38.000 -0.016 0.000 1.051 565 I HN 0.123 nan 8.210 nan 0.000 0.409 566 T N 0.144 114.716 114.554 0.030 0.000 2.684 566 T HA -0.208 4.157 4.350 0.025 0.000 0.267 566 T C 1.491 176.265 174.700 0.123 0.000 1.036 566 T CA 1.786 63.944 62.100 0.098 0.000 1.148 566 T CB -0.340 68.494 68.868 -0.057 0.000 0.863 566 T HN 0.304 nan 8.240 nan 0.000 0.436 567 D N 1.073 121.495 120.400 0.036 0.000 2.178 567 D HA 0.069 4.724 4.640 0.025 0.000 0.202 567 D C 2.309 178.617 176.300 0.012 0.000 0.974 567 D CA 0.970 54.991 54.000 0.035 0.000 0.841 567 D CB -0.513 40.297 40.800 0.017 0.000 0.953 567 D HN 0.395 nan 8.370 nan 0.000 0.478 568 A N 0.616 123.427 122.820 -0.015 0.000 1.908 568 A HA -0.154 4.181 4.320 0.025 0.000 0.218 568 A C 2.313 179.815 177.584 -0.137 0.000 1.181 568 A CA 1.055 53.054 52.037 -0.063 0.000 0.627 568 A CB -0.729 18.233 19.000 -0.063 0.000 0.818 568 A HN 0.227 nan 8.150 nan 0.000 0.445 569 L N -1.032 120.110 121.223 -0.136 0.000 2.072 569 L HA -0.140 4.215 4.340 0.025 0.000 0.205 569 L C 2.542 179.224 176.870 -0.313 0.000 1.079 569 L CA 1.417 56.032 54.840 -0.375 0.000 0.752 569 L CB -0.485 41.368 42.059 -0.344 0.000 0.906 569 L HN 0.318 nan 8.230 nan 0.000 0.436 570 K N 0.494 120.971 120.400 0.129 0.000 2.074 570 K HA -0.237 4.098 4.320 0.025 0.000 0.209 570 K C 2.099 178.734 176.600 0.059 0.000 1.048 570 K CA 1.467 57.901 56.287 0.245 0.000 0.926 570 K CB -0.154 32.484 32.500 0.230 0.000 0.713 570 K HN 0.242 nan 8.250 nan 0.000 0.444 571 K N 0.355 120.739 120.400 -0.027 0.000 2.160 571 K HA -0.167 4.168 4.320 0.025 0.000 0.206 571 K C 1.928 178.482 176.600 -0.077 0.000 1.047 571 K CA 1.393 57.653 56.287 -0.044 0.000 0.930 571 K CB 0.057 32.518 32.500 -0.065 0.000 0.720 571 K HN 0.019 nan 8.250 nan 0.000 0.450 572 V N -0.565 119.231 119.914 -0.196 0.000 2.788 572 V HA -0.064 4.071 4.120 0.025 0.000 0.241 572 V C 1.523 177.594 176.094 -0.038 0.000 1.083 572 V CA 0.957 63.131 62.300 -0.209 0.000 1.103 572 V CB -0.200 31.364 31.823 -0.431 0.000 0.800 572 V HN 0.089 nan 8.190 nan 0.000 0.476 573 F N 1.174 121.095 119.950 -0.048 0.000 2.664 573 F HA 0.500 5.042 4.527 0.025 0.000 0.296 573 F C 1.734 177.599 175.800 0.109 0.000 1.125 573 F CA 0.280 58.266 58.000 -0.024 0.000 1.444 573 F CB -1.105 37.776 39.000 -0.199 0.000 1.114 573 F HN 0.271 nan 8.300 nan 0.000 0.576 574 G N 0.674 109.656 108.800 0.303 0.000 2.692 574 G HA2 -0.272 3.703 3.960 0.025 0.000 0.248 574 G HA3 -0.272 3.703 3.960 0.025 0.000 0.248 574 G C -0.330 174.780 174.900 0.350 0.000 1.340 574 G CA -0.502 44.756 45.100 0.262 0.000 0.896 574 G HN 0.298 nan 8.290 nan 0.000 0.570 575 E N -0.519 119.832 120.200 0.253 0.000 2.212 575 E HA 0.454 4.819 4.350 0.025 0.000 0.268 575 E C -0.547 176.215 176.600 0.271 0.000 0.902 575 E CA -0.821 55.727 56.400 0.247 0.000 0.779 575 E CB 1.622 31.426 29.700 0.174 0.000 1.172 575 E HN 0.599 nan 8.360 nan 0.000 0.409 576 H N 1.010 120.222 119.070 0.237 0.000 2.767 576 H HA 0.149 4.720 4.556 0.025 0.000 0.316 576 H C -1.080 174.389 175.328 0.236 0.000 1.059 576 H CA 0.059 56.223 56.048 0.193 0.000 1.461 576 H CB 0.425 30.288 29.762 0.168 0.000 1.475 576 H HN -0.011 nan 8.280 nan 0.000 0.531 577 K N 3.498 123.663 120.400 -0.393 0.000 2.358 577 K HA 0.690 5.026 4.320 0.025 0.000 0.260 577 K C -0.186 176.118 176.600 -0.494 0.000 0.956 577 K CA -0.347 55.798 56.287 -0.236 0.000 0.834 577 K CB 1.518 33.970 32.500 -0.080 0.000 1.102 577 K HN 0.861 nan 8.250 nan 0.000 0.431 578 A N 1.983 124.668 122.820 -0.226 0.000 2.406 578 A HA 0.393 4.729 4.320 0.025 0.000 0.243 578 A C 0.332 177.865 177.584 -0.086 0.000 1.082 578 A CA -0.099 51.869 52.037 -0.116 0.000 0.786 578 A CB 0.008 19.059 19.000 0.085 0.000 1.029 578 A HN 0.752 nan 8.150 nan 0.000 0.495 579 N N 0.824 119.494 118.700 -0.049 0.000 2.752 579 N HA 0.198 4.953 4.740 0.025 0.000 0.260 579 N C -1.615 173.889 175.510 -0.011 0.000 1.562 579 N CA -0.404 52.626 53.050 -0.034 0.000 0.788 579 N CB 0.430 38.891 38.487 -0.044 0.000 1.192 579 N HN 0.526 nan 8.380 nan 0.000 0.503 580 D N 1.056 121.456 120.400 -0.000 0.000 2.382 580 D HA 0.129 4.784 4.640 0.025 0.000 0.245 580 D C 0.494 176.797 176.300 0.005 0.000 1.120 580 D CA 0.313 54.319 54.000 0.010 0.000 0.890 580 D CB 1.074 41.883 40.800 0.015 0.000 1.201 580 D HN 0.345 nan 8.370 nan 0.000 0.433 581 R N 0.279 120.784 120.500 0.008 0.000 2.594 581 R HA 0.364 4.719 4.340 0.025 0.000 0.272 581 R C 0.122 176.429 176.300 0.013 0.000 1.074 581 R CA -0.397 55.708 56.100 0.009 0.000 1.105 581 R CB 0.671 30.978 30.300 0.011 0.000 1.008 581 R HN 0.331 nan 8.270 nan 0.000 0.472 582 M N 0.008 119.616 119.600 0.013 0.000 2.300 582 M HA 0.380 4.875 4.480 0.025 0.000 0.348 582 M C -0.200 176.114 176.300 0.023 0.000 1.151 582 M CA -1.161 54.148 55.300 0.015 0.000 1.046 582 M CB 0.872 33.480 32.600 0.013 0.000 1.647 582 M HN 0.256 nan 8.290 nan 0.000 0.451 583 V N 2.631 122.561 119.914 0.027 0.000 2.572 583 V HA 0.452 4.587 4.120 0.025 0.000 0.291 583 V C 0.673 176.794 176.094 0.044 0.000 1.039 583 V CA 0.252 62.575 62.300 0.038 0.000 1.055 583 V CB 1.131 32.981 31.823 0.045 0.000 0.969 583 V HN 1.126 nan 8.190 nan 0.000 0.482 584 S N 2.903 118.633 115.700 0.049 0.000 2.672 584 S HA 0.622 5.107 4.470 0.025 0.000 0.291 584 S C 0.646 175.286 174.600 0.066 0.000 1.145 584 S CA 0.335 58.568 58.200 0.055 0.000 1.013 584 S CB 1.111 64.338 63.200 0.044 0.000 1.017 584 S HN 1.637 nan 8.310 nan 0.000 0.487 585 G N 3.172 112.023 108.800 0.084 0.000 2.179 585 G HA2 -0.303 3.673 3.960 0.025 0.000 0.260 585 G HA3 -0.303 3.673 3.960 0.025 0.000 0.260 585 G C 1.096 176.058 174.900 0.104 0.000 0.977 585 G CA 0.580 45.734 45.100 0.091 0.000 0.641 585 G HN 1.319 nan 8.290 nan 0.000 0.533 586 A N -0.407 122.480 122.820 0.111 0.000 1.873 586 A HA 0.188 4.523 4.320 0.025 0.000 0.215 586 A C 1.901 179.568 177.584 0.139 0.000 1.186 586 A CA 2.150 54.250 52.037 0.105 0.000 0.616 586 A CB -0.568 18.488 19.000 0.093 0.000 0.823 586 A HN 1.175 nan 8.150 nan 0.000 0.442 587 Y N 0.328 120.675 120.300 0.077 0.000 2.070 587 Y HA -0.267 4.297 4.550 0.024 0.000 0.280 587 Y C 2.624 178.613 175.900 0.149 0.000 1.148 587 Y CA 2.530 60.699 58.100 0.115 0.000 1.125 587 Y CB -0.343 38.183 38.460 0.109 0.000 0.975 587 Y HN 0.292 nan 8.280 nan 0.000 0.492 588 R N 0.248 120.912 120.500 0.273 0.000 2.081 588 R HA -0.245 4.110 4.340 0.025 0.000 0.235 588 R C 2.509 178.864 176.300 0.092 0.000 1.131 588 R CA 1.949 58.144 56.100 0.159 0.000 0.960 588 R CB -0.439 29.945 30.300 0.140 0.000 0.856 588 R HN 0.606 nan 8.270 nan 0.000 0.436 589 Q N 0.117 119.964 119.800 0.079 0.000 2.084 589 Q HA -0.234 4.121 4.340 0.025 0.000 0.202 589 Q C 1.803 177.826 176.000 0.038 0.000 0.978 589 Q CA 1.997 57.833 55.803 0.055 0.000 0.844 589 Q CB 0.003 28.768 28.738 0.046 0.000 0.898 589 Q HN 0.284 nan 8.270 nan 0.000 0.426 590 E N -0.010 120.199 120.200 0.014 0.000 2.106 590 E HA -0.171 4.194 4.350 0.025 0.000 0.192 590 E C 1.556 178.132 176.600 -0.040 0.000 0.984 590 E CA 1.160 57.546 56.400 -0.023 0.000 0.806 590 E CB -0.550 29.121 29.700 -0.049 0.000 0.750 590 E HN 0.485 nan 8.360 nan 0.000 0.458 591 F N 0.290 120.107 119.950 -0.221 0.000 2.154 591 F HA -0.053 4.490 4.527 0.027 0.000 0.301 591 F C 1.324 177.065 175.800 -0.098 0.000 1.087 591 F CA 1.681 59.549 58.000 -0.220 0.000 1.274 591 F CB -0.185 38.639 39.000 -0.293 0.000 1.009 591 F HN 0.256 nan 8.300 nan 0.000 0.485 592 G N 0.362 109.282 108.800 0.200 0.000 2.796 592 G HA2 -0.324 3.651 3.960 0.025 0.000 0.571 592 G HA3 -0.324 3.651 3.960 0.025 0.000 0.571 592 G C -0.452 174.556 174.900 0.180 0.000 1.370 592 G CA -0.212 44.968 45.100 0.134 0.000 0.856 592 G HN 0.520 nan 8.290 nan 0.000 0.538 593 E N -0.384 119.880 120.200 0.108 0.000 2.480 593 E HA 0.408 4.774 4.350 0.025 0.000 0.258 593 E C 0.082 176.756 176.600 0.124 0.000 0.984 593 E CA 0.807 57.259 56.400 0.087 0.000 0.930 593 E CB 0.212 29.943 29.700 0.053 0.000 0.936 593 E HN 0.965 nan 8.360 nan 0.000 0.466 594 S N 3.290 119.047 115.700 0.096 0.000 2.566 594 S HA 0.222 4.707 4.470 0.025 0.000 0.273 594 S C 0.176 174.797 174.600 0.036 0.000 1.157 594 S CA -0.783 57.483 58.200 0.111 0.000 0.938 594 S CB 1.264 64.569 63.200 0.174 0.000 1.087 594 S HN 0.611 nan 8.310 nan 0.000 0.474 595 K N 2.279 122.704 120.400 0.043 0.000 2.097 595 K HA -0.082 4.253 4.320 0.025 0.000 0.205 595 K C 1.797 178.397 176.600 0.001 0.000 1.050 595 K CA 1.354 57.652 56.287 0.018 0.000 0.938 595 K CB -0.052 32.462 32.500 0.024 0.000 0.718 595 K HN 0.752 nan 8.250 nan 0.000 0.442 596 E N 0.986 121.193 120.200 0.011 0.000 2.031 596 E HA -0.201 4.165 4.350 0.025 0.000 0.193 596 E C 1.959 178.508 176.600 -0.084 0.000 0.994 596 E CA 1.039 57.429 56.400 -0.015 0.000 0.800 596 E CB 0.133 29.848 29.700 0.025 0.000 0.752 596 E HN 0.127 nan 8.360 nan 0.000 0.447 597 I N 1.140 121.612 120.570 -0.164 0.000 2.208 597 I HA -0.234 3.951 4.170 0.025 0.000 0.245 597 I C 2.387 178.440 176.117 -0.108 0.000 1.097 597 I CA 1.456 62.627 61.300 -0.214 0.000 1.363 597 I CB -1.412 36.397 38.000 -0.319 0.000 1.051 597 I HN 0.217 nan 8.210 nan 0.000 0.413 598 T N 0.051 114.563 114.554 -0.070 0.000 2.746 598 T HA -0.154 4.211 4.350 0.025 0.000 0.267 598 T C 2.135 176.811 174.700 -0.041 0.000 1.039 598 T CA 1.827 63.900 62.100 -0.045 0.000 1.142 598 T CB -0.216 68.634 68.868 -0.029 0.000 0.866 598 T HN 0.313 nan 8.240 nan 0.000 0.444 599 S N 0.885 116.563 115.700 -0.036 0.000 2.383 599 S HA -0.023 4.462 4.470 0.025 0.000 0.227 599 S C 2.357 176.937 174.600 -0.033 0.000 1.026 599 S CA 1.221 59.404 58.200 -0.028 0.000 0.981 599 S CB -0.452 62.737 63.200 -0.018 0.000 0.818 599 S HN 0.506 nan 8.310 nan 0.000 0.472 600 A N 1.223 124.012 122.820 -0.051 0.000 1.898 600 A HA 0.088 4.423 4.320 0.025 0.000 0.216 600 A C 2.098 179.648 177.584 -0.057 0.000 1.181 600 A CA 1.291 53.291 52.037 -0.062 0.000 0.620 600 A CB -0.714 18.230 19.000 -0.093 0.000 0.819 600 A HN 0.612 nan 8.150 nan 0.000 0.442 601 I N -0.441 120.100 120.570 -0.048 0.000 2.286 601 I HA -0.266 3.919 4.170 0.025 0.000 0.248 601 I C 2.522 178.643 176.117 0.007 0.000 1.115 601 I CA 1.837 63.123 61.300 -0.023 0.000 1.392 601 I CB -0.157 37.832 38.000 -0.019 0.000 1.065 601 I HN 0.390 nan 8.210 nan 0.000 0.418 602 K N 0.733 121.129 120.400 -0.006 0.000 2.025 602 K HA -0.170 4.165 4.320 0.025 0.000 0.207 602 K C 2.407 179.031 176.600 0.040 0.000 1.049 602 K CA 1.006 57.300 56.287 0.012 0.000 0.933 602 K CB 0.029 32.519 32.500 -0.016 0.000 0.714 602 K HN 0.040 nan 8.250 nan 0.000 0.438 603 R N 0.606 121.110 120.500 0.007 0.000 2.113 603 R HA -0.143 4.212 4.340 0.025 0.000 0.244 603 R C 2.295 178.593 176.300 -0.003 0.000 1.142 603 R CA 1.439 57.540 56.100 0.003 0.000 0.953 603 R CB -1.042 29.246 30.300 -0.020 0.000 0.860 603 R HN 0.178 nan 8.270 nan 0.000 0.438 604 V N -0.329 119.551 119.914 -0.057 0.000 2.358 604 V HA -0.224 3.911 4.120 0.025 0.000 0.246 604 V C 2.210 178.293 176.094 -0.019 0.000 1.047 604 V CA 1.958 64.172 62.300 -0.143 0.000 1.035 604 V CB -0.686 30.989 31.823 -0.247 0.000 0.658 604 V HN 0.371 nan 8.190 nan 0.000 0.452 605 H N 0.605 119.649 119.070 -0.043 0.000 2.352 605 H HA -0.150 4.421 4.556 0.025 0.000 0.299 605 H C 2.318 177.652 175.328 0.010 0.000 1.097 605 H CA 1.943 57.983 56.048 -0.013 0.000 1.311 605 H CB 0.084 29.836 29.762 -0.017 0.000 1.377 605 H HN 0.313 nan 8.280 nan 0.000 0.504 606 K N -0.681 119.800 120.400 0.134 0.000 2.148 606 K HA -0.134 4.201 4.320 0.025 0.000 0.204 606 K C 1.998 178.618 176.600 0.033 0.000 1.050 606 K CA 1.067 57.399 56.287 0.075 0.000 0.942 606 K CB -0.190 32.346 32.500 0.061 0.000 0.724 606 K HN 0.269 nan 8.250 nan 0.000 0.446 607 F N 1.944 121.829 119.950 -0.107 0.000 2.095 607 F HA -0.238 4.305 4.527 0.026 0.000 0.298 607 F C 2.381 178.091 175.800 -0.150 0.000 1.104 607 F CA 1.403 59.316 58.000 -0.145 0.000 1.232 607 F CB -0.057 38.815 39.000 -0.212 0.000 0.987 607 F HN -0.074 nan 8.300 nan 0.000 0.475 608 M N 0.200 119.861 119.600 0.101 0.000 2.159 608 M HA -0.211 4.284 4.480 0.025 0.000 0.263 608 M C 1.946 178.169 176.300 -0.129 0.000 1.063 608 M CA 1.945 57.231 55.300 -0.022 0.000 1.110 608 M CB -0.422 32.108 32.600 -0.117 0.000 1.374 608 M HN 0.260 nan 8.290 nan 0.000 0.411 609 E N -0.239 119.879 120.200 -0.137 0.000 2.077 609 E HA -0.227 4.138 4.350 0.025 0.000 0.193 609 E C 2.164 178.696 176.600 -0.114 0.000 0.989 609 E CA 1.196 57.535 56.400 -0.101 0.000 0.800 609 E CB -0.084 29.592 29.700 -0.040 0.000 0.746 609 E HN 0.490 nan 8.360 nan 0.000 0.452 610 R N 0.438 120.842 120.500 -0.161 0.000 2.062 610 R HA -0.089 4.266 4.340 0.025 0.000 0.229 610 R C 1.654 177.807 176.300 -0.245 0.000 1.128 610 R CA 1.067 57.049 56.100 -0.195 0.000 0.960 610 R CB 0.280 30.439 30.300 -0.236 0.000 0.855 610 R HN 0.022 nan 8.270 nan 0.000 0.432 611 E N -1.218 118.762 120.200 -0.366 0.000 2.452 611 E HA 0.087 4.452 4.350 0.025 0.000 0.197 611 E C 0.859 177.365 176.600 -0.156 0.000 1.022 611 E CA 0.749 56.938 56.400 -0.352 0.000 0.890 611 E CB 1.011 30.284 29.700 -0.711 0.000 0.918 611 E HN 0.582 nan 8.360 nan 0.000 0.496 612 G N 2.519 111.249 108.800 -0.117 0.000 2.148 612 G HA2 -0.322 3.653 3.960 0.025 0.000 0.254 612 G HA3 -0.322 3.653 3.960 0.025 0.000 0.254 612 G C 0.258 175.152 174.900 -0.010 0.000 0.981 612 G CA 0.719 45.786 45.100 -0.055 0.000 0.670 612 G HN 0.365 nan 8.290 nan 0.000 0.528 613 R N -2.179 118.337 120.500 0.025 0.000 2.728 613 R HA 0.636 4.991 4.340 0.025 0.000 0.274 613 R C -0.399 176.020 176.300 0.198 0.000 1.032 613 R CA -1.244 54.916 56.100 0.100 0.000 0.866 613 R CB 0.845 31.226 30.300 0.136 0.000 1.263 613 R HN 0.141 nan 8.270 nan 0.000 0.475 614 R N 1.188 121.773 120.500 0.142 0.000 2.641 614 R HA 0.260 4.615 4.340 0.025 0.000 0.269 614 R C -2.017 174.335 176.300 0.087 0.000 1.074 614 R CA -1.487 54.655 56.100 0.070 0.000 1.133 614 R CB 0.474 30.774 30.300 -0.000 0.000 1.029 614 R HN 0.442 nan 8.270 nan 0.000 0.488 615 P HA 0.026 nan 4.420 nan 0.000 0.271 615 P C -1.075 176.229 177.300 0.007 0.000 1.226 615 P CA 0.223 62.923 63.100 -0.667 0.000 0.765 615 P CB 0.654 31.397 31.700 -1.596 0.000 0.835 616 R N 3.498 124.261 120.500 0.439 0.000 2.343 616 R HA 0.517 4.872 4.340 0.025 0.000 0.320 616 R C -1.195 175.275 176.300 0.284 0.000 0.956 616 R CA -0.944 55.341 56.100 0.308 0.000 0.836 616 R CB 0.586 30.988 30.300 0.169 0.000 1.151 616 R HN 0.381 nan 8.270 nan 0.000 0.450 617 L N 5.554 126.921 121.223 0.240 0.000 2.333 617 L HA 0.419 4.774 4.340 0.025 0.000 0.280 617 L C -1.536 175.355 176.870 0.036 0.000 1.004 617 L CA -0.830 54.087 54.840 0.127 0.000 0.820 617 L CB 1.637 43.727 42.059 0.052 0.000 1.247 617 L HN 0.591 nan 8.230 nan 0.000 0.416 618 L N 6.599 127.829 121.223 0.012 0.000 2.261 618 L HA 0.483 4.838 4.340 0.025 0.000 0.289 618 L C -0.882 175.951 176.870 -0.061 0.000 1.059 618 L CA 0.034 54.862 54.840 -0.020 0.000 0.816 618 L CB 1.113 43.168 42.059 -0.006 0.000 1.191 618 L HN 0.422 nan 8.230 nan 0.000 0.431 619 V N 5.909 125.765 119.914 -0.096 0.000 2.385 619 V HA 0.763 4.898 4.120 0.025 0.000 0.269 619 V C 0.473 176.514 176.094 -0.088 0.000 1.043 619 V CA -0.001 62.220 62.300 -0.131 0.000 0.906 619 V CB 0.522 32.231 31.823 -0.190 0.000 0.995 619 V HN 0.974 nan 8.190 nan 0.000 0.467 620 A N 6.158 128.934 122.820 -0.073 0.000 2.435 620 A HA 0.877 5.212 4.320 0.025 0.000 0.304 620 A C -0.674 176.884 177.584 -0.043 0.000 1.064 620 A CA -0.906 51.101 52.037 -0.050 0.000 0.727 620 A CB 1.700 20.682 19.000 -0.030 0.000 1.284 620 A HN 0.563 nan 8.150 nan 0.000 0.415 621 K N 1.287 121.661 120.400 -0.044 0.000 2.156 621 K HA 0.706 5.041 4.320 0.025 0.000 0.254 621 K C -0.869 175.725 176.600 -0.009 0.000 0.950 621 K CA -0.120 56.148 56.287 -0.031 0.000 0.849 621 K CB 1.716 34.177 32.500 -0.066 0.000 1.100 621 K HN 0.804 nan 8.250 nan 0.000 0.434 622 M N 0.364 119.975 119.600 0.018 0.000 2.518 622 M HA 0.404 4.899 4.480 0.025 0.000 0.300 622 M C 0.274 176.606 176.300 0.054 0.000 1.175 622 M CA -0.240 55.081 55.300 0.034 0.000 0.890 622 M CB 2.311 34.929 32.600 0.030 0.000 1.710 622 M HN 0.878 nan 8.290 nan 0.000 0.453 623 G N 1.572 110.409 108.800 0.062 0.000 2.642 623 G HA2 -0.189 3.786 3.960 0.025 0.000 0.231 623 G HA3 -0.189 3.786 3.960 0.025 0.000 0.231 623 G C -0.030 174.955 174.900 0.142 0.000 1.338 623 G CA -0.418 44.721 45.100 0.065 0.000 0.883 623 G HN 0.646 nan 8.290 nan 0.000 0.570 624 Q N 0.248 120.123 119.800 0.125 0.000 2.424 624 Q HA 0.082 4.438 4.340 0.025 0.000 0.204 624 Q C 1.062 177.209 176.000 0.245 0.000 0.933 624 Q CA 0.748 56.676 55.803 0.208 0.000 0.929 624 Q CB -0.153 28.624 28.738 0.065 0.000 1.037 624 Q HN 0.683 nan 8.270 nan 0.000 0.511 625 D N 0.506 121.002 120.400 0.160 0.000 2.662 625 D HA -0.063 4.592 4.640 0.025 0.000 0.237 625 D C 0.923 177.290 176.300 0.111 0.000 1.154 625 D CA 0.662 54.748 54.000 0.144 0.000 0.861 625 D CB 0.391 41.273 40.800 0.136 0.000 1.146 625 D HN 0.223 nan 8.370 nan 0.000 0.518 626 G N 2.584 111.419 108.800 0.058 0.000 3.277 626 G HA2 -0.008 3.968 3.960 0.025 0.000 0.243 626 G HA3 -0.008 3.968 3.960 0.025 0.000 0.243 626 G C 0.085 174.940 174.900 -0.075 0.000 1.107 626 G CA -0.326 44.758 45.100 -0.027 0.000 0.771 626 G HN 0.565 nan 8.290 nan 0.000 0.544 627 H N 1.186 120.263 119.070 0.012 0.000 2.964 627 H HA 0.265 4.836 4.556 0.025 0.000 0.328 627 H C 0.630 175.956 175.328 -0.003 0.000 1.030 627 H CA 1.096 57.154 56.048 0.017 0.000 1.445 627 H CB 1.401 31.183 29.762 0.033 0.000 1.449 627 H HN 0.359 nan 8.280 nan 0.000 0.581 628 D N 1.581 122.041 120.400 0.100 0.000 2.497 628 D HA -0.023 4.632 4.640 0.025 0.000 0.256 628 D C 1.580 177.898 176.300 0.031 0.000 1.273 628 D CA -0.339 53.684 54.000 0.039 0.000 0.812 628 D CB -0.255 40.543 40.800 -0.003 0.000 1.190 628 D HN 0.425 nan 8.370 nan 0.000 0.524 629 R N 1.120 121.653 120.500 0.055 0.000 2.091 629 R HA -0.060 4.295 4.340 0.025 0.000 0.238 629 R C 2.079 178.398 176.300 0.032 0.000 1.136 629 R CA 2.180 58.303 56.100 0.037 0.000 0.959 629 R CB -0.582 29.746 30.300 0.046 0.000 0.856 629 R HN 0.222 nan 8.270 nan 0.000 0.437 630 G N -0.184 108.641 108.800 0.042 0.000 2.414 630 G HA2 -0.252 3.723 3.960 0.025 0.000 0.215 630 G HA3 -0.252 3.723 3.960 0.025 0.000 0.215 630 G C 1.538 176.409 174.900 -0.048 0.000 1.188 630 G CA 0.735 45.844 45.100 0.014 0.000 0.783 630 G HN 0.483 nan 8.290 nan 0.000 0.537 631 A N 0.632 123.421 122.820 -0.051 0.000 1.917 631 A HA -0.075 4.260 4.320 0.025 0.000 0.219 631 A C 2.378 179.897 177.584 -0.109 0.000 1.182 631 A CA 2.107 54.086 52.037 -0.096 0.000 0.633 631 A CB -0.276 18.681 19.000 -0.071 0.000 0.819 631 A HN 0.253 nan 8.150 nan 0.000 0.448 632 K N -0.782 119.580 120.400 -0.064 0.000 2.116 632 K HA 0.027 4.362 4.320 0.025 0.000 0.203 632 K C 1.978 178.543 176.600 -0.058 0.000 1.052 632 K CA 1.130 57.386 56.287 -0.053 0.000 0.952 632 K CB -0.959 31.529 32.500 -0.020 0.000 0.729 632 K HN 0.325 nan 8.250 nan 0.000 0.446 633 V N 1.885 121.772 119.914 -0.045 0.000 2.548 633 V HA -0.162 3.973 4.120 0.025 0.000 0.249 633 V C 2.101 178.114 176.094 -0.135 0.000 1.055 633 V CA 1.003 63.280 62.300 -0.039 0.000 1.065 633 V CB -0.204 31.638 31.823 0.031 0.000 0.681 633 V HN 0.132 nan 8.190 nan 0.000 0.462 634 I N 0.511 120.965 120.570 -0.194 0.000 2.179 634 I HA -0.174 4.011 4.170 0.025 0.000 0.242 634 I C 2.748 178.631 176.117 -0.390 0.000 1.088 634 I CA 1.874 62.955 61.300 -0.365 0.000 1.357 634 I CB -1.642 36.043 38.000 -0.525 0.000 1.051 634 I HN 0.384 nan 8.210 nan 0.000 0.409 635 A N -0.026 122.624 122.820 -0.284 0.000 1.865 635 A HA -0.262 4.073 4.320 0.025 0.000 0.217 635 A C 2.522 180.051 177.584 -0.093 0.000 1.191 635 A CA 2.689 54.604 52.037 -0.204 0.000 0.623 635 A CB -1.187 17.733 19.000 -0.135 0.000 0.826 635 A HN 0.400 nan 8.150 nan 0.000 0.444 636 T N -1.161 113.354 114.554 -0.065 0.000 2.857 636 T HA 0.045 4.410 4.350 0.025 0.000 0.266 636 T C 1.814 176.506 174.700 -0.012 0.000 1.048 636 T CA 1.844 63.939 62.100 -0.009 0.000 1.139 636 T CB -0.550 68.332 68.868 0.022 0.000 0.874 636 T HN 0.498 nan 8.240 nan 0.000 0.455 637 G N 0.032 108.761 108.800 -0.118 0.000 2.404 637 G HA2 -0.091 3.885 3.960 0.025 0.000 0.215 637 G HA3 -0.091 3.885 3.960 0.025 0.000 0.215 637 G C 1.279 176.152 174.900 -0.045 0.000 1.174 637 G CA 0.423 45.358 45.100 -0.274 0.000 0.780 637 G HN 0.479 nan 8.290 nan 0.000 0.537 638 F N 1.954 121.735 119.950 -0.282 0.000 2.134 638 F HA 0.033 4.575 4.527 0.025 0.000 0.299 638 F C 3.017 178.811 175.800 -0.009 0.000 1.097 638 F CA 0.470 58.319 58.000 -0.251 0.000 1.264 638 F CB -0.748 37.913 39.000 -0.565 0.000 1.001 638 F HN 0.253 nan 8.300 nan 0.000 0.479 639 A N -0.125 122.794 122.820 0.165 0.000 1.902 639 A HA -0.196 4.140 4.320 0.025 0.000 0.217 639 A C 2.001 179.650 177.584 0.109 0.000 1.181 639 A CA 1.974 54.096 52.037 0.141 0.000 0.623 639 A CB -0.894 18.159 19.000 0.088 0.000 0.818 639 A HN 0.263 nan 8.150 nan 0.000 0.443 640 D N -0.027 120.425 120.400 0.087 0.000 2.182 640 D HA -0.108 4.547 4.640 0.025 0.000 0.201 640 D C 1.495 177.834 176.300 0.065 0.000 0.986 640 D CA 0.978 55.030 54.000 0.086 0.000 0.847 640 D CB -0.224 40.652 40.800 0.127 0.000 0.942 640 D HN 0.483 nan 8.370 nan 0.000 0.467 641 L N -1.242 120.013 121.223 0.054 0.000 2.611 641 L HA 0.261 4.616 4.340 0.025 0.000 0.229 641 L C 1.393 178.288 176.870 0.042 0.000 1.137 641 L CA 0.314 55.167 54.840 0.022 0.000 0.901 641 L CB 0.173 42.205 42.059 -0.046 0.000 1.098 641 L HN 0.126 nan 8.230 nan 0.000 0.456 642 G N -0.751 108.096 108.800 0.078 0.000 2.168 642 G HA2 -0.249 3.726 3.960 0.025 0.000 0.197 642 G HA3 -0.249 3.726 3.960 0.025 0.000 0.197 642 G C 0.095 174.989 174.900 -0.009 0.000 0.997 642 G CA -0.687 44.428 45.100 0.025 0.000 0.658 642 G HN 0.104 nan 8.290 nan 0.000 0.513 643 F N 1.366 121.284 119.950 -0.054 0.000 2.496 643 F HA 0.462 5.005 4.527 0.026 0.000 0.344 643 F C 0.889 176.694 175.800 0.008 0.000 1.155 643 F CA 0.174 58.154 58.000 -0.033 0.000 1.302 643 F CB 0.714 39.737 39.000 0.037 0.000 1.159 643 F HN 0.028 nan 8.300 nan 0.000 0.595 644 D N 2.065 122.581 120.400 0.194 0.000 2.347 644 D HA 0.339 4.994 4.640 0.025 0.000 0.235 644 D C -1.138 175.263 176.300 0.167 0.000 1.149 644 D CA 0.001 54.087 54.000 0.145 0.000 0.850 644 D CB 0.716 41.578 40.800 0.103 0.000 1.061 644 D HN 0.124 nan 8.370 nan 0.000 0.487 645 V N 4.659 124.644 119.914 0.119 0.000 2.417 645 V HA 0.333 4.468 4.120 0.025 0.000 0.291 645 V C -0.069 176.043 176.094 0.030 0.000 1.024 645 V CA -0.884 61.457 62.300 0.069 0.000 0.861 645 V CB 1.780 33.620 31.823 0.029 0.000 0.985 645 V HN 0.488 nan 8.190 nan 0.000 0.436 646 D N 4.354 124.762 120.400 0.015 0.000 2.181 646 D HA 0.577 5.232 4.640 0.025 0.000 0.248 646 D C -0.419 175.865 176.300 -0.026 0.000 1.020 646 D CA -0.150 53.849 54.000 -0.001 0.000 0.891 646 D CB 2.629 43.432 40.800 0.004 0.000 1.187 646 D HN 0.321 nan 8.370 nan 0.000 0.443 647 I N 1.005 121.559 120.570 -0.028 0.000 2.389 647 I HA 0.313 4.498 4.170 0.025 0.000 0.288 647 I C 0.929 177.024 176.117 -0.038 0.000 0.999 647 I CA -0.896 60.378 61.300 -0.043 0.000 1.129 647 I CB 1.878 39.852 38.000 -0.042 0.000 1.288 647 I HN 0.199 nan 8.210 nan 0.000 0.444 648 G N 6.370 115.144 108.800 -0.045 0.000 2.432 648 G HA2 0.442 4.417 3.960 0.025 0.000 0.257 648 G HA3 0.442 4.417 3.960 0.025 0.000 0.257 648 G C -2.599 172.268 174.900 -0.055 0.000 1.238 648 G CA -0.880 44.196 45.100 -0.040 0.000 0.838 648 G HN 0.301 nan 8.290 nan 0.000 0.547 649 P HA 0.086 nan 4.420 nan 0.000 0.268 649 P C 0.401 177.616 177.300 -0.141 0.000 1.208 649 P CA -0.300 62.758 63.100 -0.071 0.000 0.777 649 P CB 0.634 32.318 31.700 -0.026 0.000 0.875 650 L N 2.397 123.443 121.223 -0.295 0.000 2.483 650 L HA 0.025 4.380 4.340 0.025 0.000 0.275 650 L C 0.523 177.109 176.870 -0.474 0.000 1.220 650 L CA 0.237 54.691 54.840 -0.642 0.000 0.833 650 L CB -0.556 40.694 42.059 -1.348 0.000 1.102 650 L HN 0.465 nan 8.230 nan 0.000 0.490 651 F N -1.101 118.861 119.950 0.019 0.000 2.746 651 F HA -0.233 4.309 4.527 0.025 0.000 0.315 651 F C 0.715 176.521 175.800 0.010 0.000 0.666 651 F CA 0.058 58.067 58.000 0.014 0.000 1.381 651 F CB -2.311 36.711 39.000 0.036 0.000 1.739 651 F HN 0.537 nan 8.300 nan 0.000 0.322 652 Q N 1.093 120.957 119.800 0.108 0.000 2.352 652 Q HA 0.402 4.757 4.340 0.025 0.000 0.260 652 Q C 1.033 177.067 176.000 0.056 0.000 0.976 652 Q CA 0.575 56.419 55.803 0.070 0.000 0.881 652 Q CB 1.217 29.973 28.738 0.030 0.000 1.235 652 Q HN 0.423 nan 8.270 nan 0.000 0.419 653 T N -0.775 113.805 114.554 0.043 0.000 2.828 653 T HA 0.142 4.507 4.350 0.025 0.000 0.290 653 T C -1.929 172.784 174.700 0.022 0.000 1.019 653 T CA -1.673 60.442 62.100 0.025 0.000 1.031 653 T CB 0.633 69.511 68.868 0.016 0.000 1.001 653 T HN 0.280 nan 8.240 nan 0.000 0.531 654 P HA -0.106 nan 4.420 nan 0.000 0.216 654 P C 1.697 179.007 177.300 0.016 0.000 1.153 654 P CA 0.828 63.939 63.100 0.018 0.000 0.858 654 P CB 0.015 31.727 31.700 0.019 0.000 0.789 655 R N 0.816 121.325 120.500 0.015 0.000 2.091 655 R HA -0.167 4.188 4.340 0.025 0.000 0.238 655 R C 2.015 178.324 176.300 0.015 0.000 1.136 655 R CA 1.878 57.987 56.100 0.014 0.000 0.959 655 R CB -1.172 29.136 30.300 0.013 0.000 0.856 655 R HN 0.209 nan 8.270 nan 0.000 0.437 656 E N -0.843 119.368 120.200 0.018 0.000 2.107 656 E HA -0.101 4.264 4.350 0.025 0.000 0.191 656 E C 1.906 178.515 176.600 0.015 0.000 0.982 656 E CA 1.312 57.723 56.400 0.019 0.000 0.809 656 E CB 0.059 29.775 29.700 0.027 0.000 0.756 656 E HN 0.124 nan 8.360 nan 0.000 0.459 657 V N 1.406 121.329 119.914 0.014 0.000 2.343 657 V HA -0.269 3.866 4.120 0.025 0.000 0.247 657 V C 2.320 178.420 176.094 0.010 0.000 1.051 657 V CA 1.838 64.144 62.300 0.009 0.000 1.036 657 V CB -0.702 31.127 31.823 0.009 0.000 0.654 657 V HN 0.314 nan 8.190 nan 0.000 0.451 658 A N -0.457 122.370 122.820 0.012 0.000 1.877 658 A HA -0.310 4.026 4.320 0.025 0.000 0.216 658 A C 2.189 179.779 177.584 0.010 0.000 1.186 658 A CA 2.233 54.277 52.037 0.012 0.000 0.620 658 A CB -0.609 18.398 19.000 0.013 0.000 0.822 658 A HN 0.521 nan 8.150 nan 0.000 0.443 659 Q N -0.354 119.452 119.800 0.010 0.000 2.096 659 Q HA -0.245 4.110 4.340 0.025 0.000 0.204 659 Q C 2.198 178.202 176.000 0.007 0.000 0.982 659 Q CA 2.401 58.209 55.803 0.009 0.000 0.850 659 Q CB -0.414 28.330 28.738 0.010 0.000 0.901 659 Q HN 0.774 nan 8.270 nan 0.000 0.422 660 Q N -1.176 118.628 119.800 0.007 0.000 2.084 660 Q HA -0.176 4.179 4.340 0.025 0.000 0.202 660 Q C 1.841 177.842 176.000 0.002 0.000 0.978 660 Q CA 1.514 57.319 55.803 0.004 0.000 0.844 660 Q CB -0.272 28.468 28.738 0.003 0.000 0.898 660 Q HN 0.486 nan 8.270 nan 0.000 0.426 661 A N -0.183 122.639 122.820 0.004 0.000 1.877 661 A HA -0.134 4.201 4.320 0.025 0.000 0.216 661 A C 2.187 179.770 177.584 -0.001 0.000 1.186 661 A CA 1.564 53.603 52.037 0.003 0.000 0.620 661 A CB -0.711 18.295 19.000 0.009 0.000 0.822 661 A HN 0.303 nan 8.150 nan 0.000 0.443 662 V N 0.670 120.584 119.914 0.001 0.000 2.307 662 V HA -0.223 3.912 4.120 0.025 0.000 0.245 662 V C 2.142 178.233 176.094 -0.006 0.000 1.045 662 V CA 2.224 64.522 62.300 -0.002 0.000 1.024 662 V CB -0.859 30.965 31.823 0.002 0.000 0.651 662 V HN 0.485 nan 8.190 nan 0.000 0.449 663 D N 0.790 121.188 120.400 -0.002 0.000 2.149 663 D HA -0.119 4.537 4.640 0.025 0.000 0.198 663 D C 1.978 178.275 176.300 -0.006 0.000 0.990 663 D CA 1.710 55.708 54.000 -0.002 0.000 0.839 663 D CB -0.231 40.570 40.800 0.001 0.000 0.948 663 D HN 0.482 nan 8.370 nan 0.000 0.460 664 A N 0.328 123.144 122.820 -0.007 0.000 2.251 664 A HA 0.002 4.337 4.320 0.025 0.000 0.209 664 A C 0.440 178.010 177.584 -0.023 0.000 1.187 664 A CA 0.431 52.463 52.037 -0.009 0.000 0.823 664 A CB -0.092 18.906 19.000 -0.003 0.000 0.846 664 A HN 0.073 nan 8.150 nan 0.000 0.486 665 D N -0.341 120.040 120.400 -0.032 0.000 2.704 665 D HA -0.139 4.516 4.640 0.025 0.000 0.232 665 D C 0.248 176.481 176.300 -0.111 0.000 1.183 665 D CA 0.877 54.840 54.000 -0.062 0.000 0.647 665 D CB -1.822 38.941 40.800 -0.061 0.000 1.013 665 D HN 0.831 nan 8.370 nan 0.000 0.415 666 V N -1.482 118.389 119.914 -0.072 0.000 3.003 666 V HA 0.350 4.485 4.120 0.025 0.000 0.305 666 V C 1.614 177.647 176.094 -0.102 0.000 1.078 666 V CA 0.150 62.412 62.300 -0.064 0.000 1.083 666 V CB 1.253 33.085 31.823 0.015 0.000 1.039 666 V HN 0.285 nan 8.190 nan 0.000 0.481 667 H N 2.235 121.358 119.070 0.088 0.000 2.403 667 H HA 0.589 5.160 4.556 0.025 0.000 0.298 667 H C 0.885 176.268 175.328 0.092 0.000 1.059 667 H CA 1.372 57.481 56.048 0.102 0.000 1.363 667 H CB 0.322 30.160 29.762 0.126 0.000 1.410 667 H HN 1.025 nan 8.280 nan 0.000 0.528 668 A N 0.208 123.147 122.820 0.198 0.000 2.549 668 A HA 0.550 4.885 4.320 0.025 0.000 0.297 668 A C -1.395 176.238 177.584 0.082 0.000 1.061 668 A CA -0.665 51.456 52.037 0.140 0.000 0.690 668 A CB 1.386 20.483 19.000 0.162 0.000 1.287 668 A HN -0.005 nan 8.150 nan 0.000 0.402 669 V N 0.944 120.891 119.914 0.055 0.000 2.435 669 V HA 0.670 4.806 4.120 0.025 0.000 0.290 669 V C 0.768 176.868 176.094 0.009 0.000 1.030 669 V CA 0.056 62.369 62.300 0.022 0.000 0.881 669 V CB 1.687 33.521 31.823 0.018 0.000 0.983 669 V HN 1.251 nan 8.190 nan 0.000 0.445 670 G N 3.708 112.487 108.800 -0.035 0.000 2.603 670 G HA2 0.513 4.488 3.960 0.025 0.000 0.324 670 G HA3 0.513 4.488 3.960 0.025 0.000 0.324 670 G C -0.622 174.242 174.900 -0.061 0.000 1.178 670 G CA -0.338 44.725 45.100 -0.061 0.000 1.023 670 G HN 0.534 nan 8.290 nan 0.000 0.482 671 V N 2.012 121.911 119.914 -0.026 0.000 2.470 671 V HA 0.298 4.434 4.120 0.025 0.000 0.276 671 V C 0.733 176.811 176.094 -0.028 0.000 1.040 671 V CA -0.162 62.125 62.300 -0.021 0.000 1.008 671 V CB 1.290 33.114 31.823 0.002 0.000 0.990 671 V HN 0.623 nan 8.190 nan 0.000 0.477 672 S N 4.028 119.707 115.700 -0.035 0.000 2.422 672 S HA 0.507 4.992 4.470 0.025 0.000 0.308 672 S C -0.161 174.437 174.600 -0.003 0.000 1.097 672 S CA -0.355 57.826 58.200 -0.032 0.000 1.099 672 S CB 0.795 63.965 63.200 -0.050 0.000 0.976 672 S HN 0.913 nan 8.310 nan 0.000 0.471 673 T N 5.298 119.853 114.554 0.002 0.000 2.890 673 T HA 0.581 4.946 4.350 0.025 0.000 0.295 673 T C -0.509 174.200 174.700 0.015 0.000 0.993 673 T CA -0.516 61.603 62.100 0.032 0.000 0.979 673 T CB 0.508 69.415 68.868 0.064 0.000 0.967 673 T HN 0.490 nan 8.240 nan 0.000 0.441 674 L N 4.338 125.570 121.223 0.016 0.000 3.267 674 L HA 0.573 4.929 4.340 0.025 0.000 0.289 674 L C 1.357 178.215 176.870 -0.020 0.000 1.260 674 L CA 0.088 54.884 54.840 -0.074 0.000 1.034 674 L CB 0.784 42.672 42.059 -0.286 0.000 1.413 674 L HN 0.772 nan 8.230 nan 0.000 0.594 675 A N -0.463 122.401 122.820 0.073 0.000 2.609 675 A HA 0.727 5.062 4.320 0.025 0.000 0.286 675 A C 1.354 178.980 177.584 0.071 0.000 1.138 675 A CA 0.387 52.478 52.037 0.091 0.000 0.960 675 A CB 0.118 19.190 19.000 0.119 0.000 1.208 675 A HN 0.387 nan 8.150 nan 0.000 0.541 676 A N -1.452 121.434 122.820 0.111 0.000 2.952 676 A HA -0.140 4.196 4.320 0.025 0.000 0.252 676 A C 1.714 179.210 177.584 -0.147 0.000 1.323 676 A CA 1.611 53.674 52.037 0.043 0.000 0.957 676 A CB -1.919 17.083 19.000 0.004 0.000 1.130 676 A HN 1.695 nan 8.150 nan 0.000 0.799 677 G N -0.572 108.193 108.800 -0.057 0.000 3.042 677 G HA2 0.213 4.189 3.960 0.025 0.000 0.212 677 G HA3 0.213 4.189 3.960 0.025 0.000 0.212 677 G C 1.045 175.870 174.900 -0.125 0.000 1.166 677 G CA 1.026 46.069 45.100 -0.096 0.000 0.767 677 G HN 1.135 nan 8.290 nan 0.000 0.546 678 H N 0.849 119.915 119.070 -0.006 0.000 2.422 678 H HA 0.002 4.573 4.556 0.025 0.000 0.298 678 H C 1.770 177.119 175.328 0.035 0.000 1.098 678 H CA 1.216 57.269 56.048 0.008 0.000 1.315 678 H CB -0.174 29.585 29.762 -0.005 0.000 1.382 678 H HN 0.288 nan 8.280 nan 0.000 0.523 679 K N 0.270 120.504 120.400 -0.276 0.000 2.283 679 K HA -0.027 4.308 4.320 0.025 0.000 0.202 679 K C 1.840 178.443 176.600 0.006 0.000 1.048 679 K CA 1.433 57.637 56.287 -0.138 0.000 0.948 679 K CB 0.254 32.458 32.500 -0.493 0.000 0.742 679 K HN 0.327 nan 8.250 nan 0.000 0.458 680 T N 0.926 115.458 114.554 -0.037 0.000 2.988 680 T HA 0.088 4.454 4.350 0.025 0.000 0.240 680 T C 1.814 176.540 174.700 0.043 0.000 1.014 680 T CA 0.413 62.520 62.100 0.012 0.000 1.155 680 T CB 0.024 68.876 68.868 -0.026 0.000 0.872 680 T HN 0.024 nan 8.240 nan 0.000 0.440 681 L N 1.058 122.300 121.223 0.032 0.000 2.109 681 L HA 0.010 4.365 4.340 0.025 0.000 0.207 681 L C 2.592 179.494 176.870 0.054 0.000 1.086 681 L CA 0.624 55.486 54.840 0.038 0.000 0.760 681 L CB -0.621 41.457 42.059 0.032 0.000 0.910 681 L HN 0.110 nan 8.230 nan 0.000 0.437 682 V N 0.165 120.128 119.914 0.081 0.000 2.358 682 V HA -0.113 4.022 4.120 0.025 0.000 0.246 682 V C -0.278 175.853 176.094 0.061 0.000 1.047 682 V CA 1.714 64.059 62.300 0.075 0.000 1.035 682 V CB -1.421 30.459 31.823 0.094 0.000 0.658 682 V HN 0.317 nan 8.190 nan 0.000 0.452 683 P HA -0.134 nan 4.420 nan 0.000 0.220 683 P C 1.515 178.836 177.300 0.035 0.000 1.148 683 P CA 1.194 64.322 63.100 0.047 0.000 0.803 683 P CB 0.162 31.912 31.700 0.084 0.000 0.782 684 E N -0.432 119.793 120.200 0.041 0.000 2.107 684 E HA -0.121 4.244 4.350 0.025 0.000 0.191 684 E C 1.750 178.363 176.600 0.023 0.000 0.982 684 E CA 0.535 56.952 56.400 0.029 0.000 0.809 684 E CB -1.122 28.594 29.700 0.027 0.000 0.756 684 E HN 0.008 nan 8.360 nan 0.000 0.459 685 L N 0.328 121.566 121.223 0.026 0.000 2.017 685 L HA -0.072 4.283 4.340 0.025 0.000 0.208 685 L C 2.090 178.971 176.870 0.019 0.000 1.073 685 L CA 1.709 56.562 54.840 0.022 0.000 0.745 685 L CB -0.515 41.558 42.059 0.024 0.000 0.894 685 L HN 0.234 nan 8.230 nan 0.000 0.432 686 I N -0.407 120.173 120.570 0.017 0.000 2.226 686 I HA -0.308 3.878 4.170 0.025 0.000 0.245 686 I C 2.607 178.731 176.117 0.010 0.000 1.100 686 I CA 1.543 62.850 61.300 0.013 0.000 1.374 686 I CB -0.409 37.594 38.000 0.004 0.000 1.057 686 I HN 0.340 nan 8.210 nan 0.000 0.413 687 K N 0.700 121.106 120.400 0.010 0.000 2.057 687 K HA -0.203 4.132 4.320 0.025 0.000 0.207 687 K C 2.002 178.609 176.600 0.010 0.000 1.049 687 K CA 1.360 57.653 56.287 0.009 0.000 0.931 687 K CB 0.082 32.588 32.500 0.011 0.000 0.714 687 K HN 0.225 nan 8.250 nan 0.000 0.440 688 E N 0.845 121.053 120.200 0.012 0.000 2.107 688 E HA -0.144 4.221 4.350 0.025 0.000 0.191 688 E C 2.171 178.778 176.600 0.012 0.000 0.982 688 E CA 0.695 57.102 56.400 0.012 0.000 0.809 688 E CB -0.149 29.558 29.700 0.013 0.000 0.756 688 E HN 0.346 nan 8.360 nan 0.000 0.459 689 L N 1.363 122.594 121.223 0.013 0.000 2.042 689 L HA -0.245 4.110 4.340 0.025 0.000 0.210 689 L C 2.405 179.282 176.870 0.013 0.000 1.076 689 L CA 1.318 56.167 54.840 0.014 0.000 0.749 689 L CB -0.474 41.596 42.059 0.017 0.000 0.893 689 L HN 0.142 nan 8.230 nan 0.000 0.432 690 N N -0.395 118.312 118.700 0.012 0.000 2.106 690 N HA -0.165 4.590 4.740 0.025 0.000 0.188 690 N C 1.896 177.411 175.510 0.009 0.000 1.029 690 N CA 1.761 54.817 53.050 0.010 0.000 0.848 690 N CB -0.078 38.414 38.487 0.008 0.000 1.007 690 N HN 0.092 nan 8.380 nan 0.000 0.423 691 S N 0.037 115.742 115.700 0.009 0.000 2.387 691 S HA -0.058 4.427 4.470 0.025 0.000 0.230 691 S C 1.653 176.258 174.600 0.008 0.000 1.035 691 S CA 0.848 59.053 58.200 0.008 0.000 1.014 691 S CB -0.293 62.911 63.200 0.008 0.000 0.836 691 S HN 0.360 nan 8.310 nan 0.000 0.466 692 L N 0.726 121.954 121.223 0.008 0.000 2.599 692 L HA 0.190 4.545 4.340 0.025 0.000 0.230 692 L C 1.558 178.432 176.870 0.007 0.000 1.141 692 L CA 0.309 55.153 54.840 0.008 0.000 0.877 692 L CB -0.545 41.519 42.059 0.008 0.000 1.009 692 L HN 0.494 nan 8.230 nan 0.000 0.447 693 G N 0.588 109.392 108.800 0.008 0.000 2.147 693 G HA2 -0.257 3.718 3.960 0.025 0.000 0.244 693 G HA3 -0.257 3.718 3.960 0.025 0.000 0.244 693 G C 0.314 175.220 174.900 0.009 0.000 1.005 693 G CA -0.279 44.826 45.100 0.008 0.000 0.713 693 G HN 0.266 nan 8.290 nan 0.000 0.515 694 R N -0.227 120.280 120.500 0.011 0.000 2.886 694 R HA 0.259 4.615 4.340 0.025 0.000 0.306 694 R C -1.800 174.512 176.300 0.019 0.000 1.300 694 R CA -1.262 54.846 56.100 0.014 0.000 1.441 694 R CB 1.007 31.314 30.300 0.011 0.000 1.328 694 R HN 0.295 nan 8.270 nan 0.000 0.629 695 P HA -0.095 nan 4.420 nan 0.000 0.234 695 P C 0.410 177.728 177.300 0.029 0.000 1.167 695 P CA 0.842 63.955 63.100 0.021 0.000 0.763 695 P CB 0.318 32.028 31.700 0.017 0.000 0.835 696 D N -0.226 120.194 120.400 0.034 0.000 2.323 696 D HA -0.051 4.604 4.640 0.025 0.000 0.209 696 D C 0.904 177.242 176.300 0.063 0.000 0.973 696 D CA -0.008 54.020 54.000 0.047 0.000 0.874 696 D CB -0.608 40.221 40.800 0.047 0.000 0.930 696 D HN 0.218 nan 8.370 nan 0.000 0.521 697 I N 1.939 122.542 120.570 0.054 0.000 2.587 697 I HA -0.009 4.176 4.170 0.025 0.000 0.284 697 I C 0.831 176.990 176.117 0.071 0.000 1.134 697 I CA -0.249 61.090 61.300 0.065 0.000 1.410 697 I CB 0.669 38.695 38.000 0.043 0.000 1.392 697 I HN -0.135 nan 8.210 nan 0.000 0.545 698 L N 6.955 128.235 121.223 0.095 0.000 2.453 698 L HA 0.377 4.733 4.340 0.025 0.000 0.261 698 L C -0.205 176.713 176.870 0.080 0.000 1.179 698 L CA -0.585 54.310 54.840 0.092 0.000 0.813 698 L CB 1.023 43.151 42.059 0.116 0.000 1.110 698 L HN 0.290 nan 8.230 nan 0.000 0.466 699 V N 3.093 123.051 119.914 0.072 0.000 2.444 699 V HA 0.412 4.547 4.120 0.025 0.000 0.294 699 V C 0.091 176.229 176.094 0.072 0.000 1.022 699 V CA -0.514 61.821 62.300 0.059 0.000 0.850 699 V CB 1.672 33.519 31.823 0.039 0.000 0.992 699 V HN 0.605 nan 8.190 nan 0.000 0.426 700 M N 3.517 123.168 119.600 0.083 0.000 2.537 700 M HA 0.554 5.049 4.480 0.025 0.000 0.324 700 M C -0.707 175.632 176.300 0.065 0.000 1.187 700 M CA -0.191 55.183 55.300 0.124 0.000 0.993 700 M CB 1.685 34.427 32.600 0.236 0.000 1.666 700 M HN 0.527 nan 8.290 nan 0.000 0.461 701 C N 0.938 120.258 119.300 0.033 0.000 2.456 701 C HA 0.959 5.434 4.460 0.025 0.000 0.325 701 C C 0.641 175.651 174.990 0.034 0.000 1.217 701 C CA -0.544 58.462 59.018 -0.021 0.000 1.687 701 C CB 1.343 29.004 27.740 -0.132 0.000 2.270 701 C HN 1.026 nan 8.230 nan 0.000 0.499 702 G N 0.487 109.299 108.800 0.019 0.000 2.680 702 G HA2 0.837 4.812 3.960 0.025 0.000 0.290 702 G HA3 0.837 4.812 3.960 0.025 0.000 0.290 702 G C -0.293 174.599 174.900 -0.013 0.000 1.355 702 G CA 0.275 45.402 45.100 0.044 0.000 0.903 702 G HN 1.658 nan 8.290 nan 0.000 0.474 703 G N -1.907 106.893 108.800 0.000 0.000 2.378 703 G HA2 0.176 4.152 3.960 0.025 0.000 0.198 703 G HA3 0.176 4.152 3.960 0.025 0.000 0.198 703 G C -0.897 173.987 174.900 -0.027 0.000 1.223 703 G CA -0.057 45.032 45.100 -0.018 0.000 1.088 703 G HN 1.500 nan 8.290 nan 0.000 0.530 704 V N 1.308 121.195 119.914 -0.045 0.000 2.304 704 V HA 0.560 4.695 4.120 0.025 0.000 0.262 704 V C 0.234 176.294 176.094 -0.057 0.000 1.061 704 V CA 0.130 62.407 62.300 -0.038 0.000 0.872 704 V CB 0.138 31.932 31.823 -0.048 0.000 1.077 704 V HN 0.529 nan 8.190 nan 0.000 0.480 705 I N 6.949 127.471 120.570 -0.081 0.000 2.439 705 I HA 0.403 4.588 4.170 0.025 0.000 0.285 705 I C -2.412 173.710 176.117 0.007 0.000 1.021 705 I CA -2.081 59.097 61.300 -0.203 0.000 1.091 705 I CB 2.568 40.364 38.000 -0.340 0.000 1.242 705 I HN 0.383 nan 8.210 nan 0.000 0.439 706 P HA 0.095 nan 4.420 nan 0.000 0.264 706 P C -2.100 175.220 177.300 0.034 0.000 1.193 706 P CA -0.996 62.129 63.100 0.041 0.000 0.763 706 P CB 0.109 31.844 31.700 0.058 0.000 0.810 707 P HA -0.241 nan 4.420 nan 0.000 0.217 707 P C 1.464 178.623 177.300 -0.235 0.000 1.148 707 P CA 1.474 64.269 63.100 -0.508 0.000 0.834 707 P CB -0.271 31.184 31.700 -0.407 0.000 0.783 708 Q N -1.004 118.754 119.800 -0.070 0.000 2.437 708 Q HA -0.127 4.228 4.340 0.025 0.000 0.210 708 Q C 0.378 176.421 176.000 0.072 0.000 0.972 708 Q CA 1.382 57.185 55.803 -0.001 0.000 0.903 708 Q CB -0.757 27.980 28.738 -0.002 0.000 0.967 708 Q HN 0.262 nan 8.270 nan 0.000 0.486 709 D N -0.475 120.003 120.400 0.131 0.000 2.349 709 D HA 0.037 4.692 4.640 0.025 0.000 0.214 709 D C 0.921 177.349 176.300 0.214 0.000 1.063 709 D CA -0.010 54.096 54.000 0.177 0.000 0.847 709 D CB -0.059 40.872 40.800 0.219 0.000 0.933 709 D HN 0.162 nan 8.370 nan 0.000 0.513 710 Y N 1.544 121.793 120.300 -0.085 0.000 2.145 710 Y HA -0.133 4.433 4.550 0.026 0.000 0.286 710 Y C 2.407 178.150 175.900 -0.261 0.000 1.145 710 Y CA 0.898 58.824 58.100 -0.290 0.000 1.148 710 Y CB -0.417 37.941 38.460 -0.170 0.000 0.981 710 Y HN 0.094 nan 8.280 nan 0.000 0.507 711 E N -0.517 119.810 120.200 0.212 0.000 2.085 711 E HA -0.273 4.092 4.350 0.025 0.000 0.194 711 E C 2.163 178.875 176.600 0.187 0.000 0.994 711 E CA 1.351 57.903 56.400 0.254 0.000 0.801 711 E CB -0.521 29.308 29.700 0.215 0.000 0.743 711 E HN 0.396 nan 8.360 nan 0.000 0.453 712 F N 1.190 121.161 119.950 0.036 0.000 2.134 712 F HA -0.154 4.389 4.527 0.026 0.000 0.299 712 F C 1.866 177.658 175.800 -0.014 0.000 1.097 712 F CA 1.411 59.425 58.000 0.023 0.000 1.264 712 F CB -0.132 38.884 39.000 0.026 0.000 1.001 712 F HN 0.003 nan 8.300 nan 0.000 0.479 713 L N -1.001 120.251 121.223 0.048 0.000 2.056 713 L HA -0.212 4.144 4.340 0.025 0.000 0.207 713 L C 2.451 179.211 176.870 -0.182 0.000 1.078 713 L CA 1.038 55.794 54.840 -0.139 0.000 0.749 713 L CB -0.925 40.992 42.059 -0.238 0.000 0.901 713 L HN 0.091 nan 8.230 nan 0.000 0.433 714 F N 0.540 120.463 119.950 -0.044 0.000 2.161 714 F HA -0.207 4.335 4.527 0.025 0.000 0.300 714 F C 2.545 178.296 175.800 -0.082 0.000 1.089 714 F CA 1.164 59.132 58.000 -0.055 0.000 1.282 714 F CB -0.774 38.214 39.000 -0.019 0.000 1.010 714 F HN 0.115 nan 8.300 nan 0.000 0.485 715 E N -0.061 120.167 120.200 0.046 0.000 2.150 715 E HA -0.127 4.238 4.350 0.025 0.000 0.193 715 E C 2.167 178.685 176.600 -0.137 0.000 0.985 715 E CA 1.404 57.774 56.400 -0.050 0.000 0.814 715 E CB -0.115 29.534 29.700 -0.084 0.000 0.752 715 E HN 0.368 nan 8.360 nan 0.000 0.466 716 V N -3.504 116.262 119.914 -0.247 0.000 3.541 716 V HA 0.328 4.463 4.120 0.025 0.000 0.267 716 V C 1.214 177.252 176.094 -0.094 0.000 1.213 716 V CA 0.743 62.912 62.300 -0.219 0.000 1.149 716 V CB 0.135 31.761 31.823 -0.328 0.000 0.822 716 V HN 0.275 nan 8.190 nan 0.000 0.462 717 G N -0.434 108.343 108.800 -0.039 0.000 2.164 717 G HA2 -0.155 3.820 3.960 0.025 0.000 0.154 717 G HA3 -0.155 3.820 3.960 0.025 0.000 0.154 717 G C -0.082 174.845 174.900 0.044 0.000 1.014 717 G CA -0.185 44.923 45.100 0.013 0.000 0.683 717 G HN 0.602 nan 8.290 nan 0.000 0.500 718 V N 1.673 121.616 119.914 0.048 0.000 2.585 718 V HA 0.286 4.421 4.120 0.025 0.000 0.296 718 V C 1.749 177.956 176.094 0.188 0.000 1.035 718 V CA 1.147 63.487 62.300 0.066 0.000 1.084 718 V CB 1.397 33.192 31.823 -0.045 0.000 0.953 718 V HN 0.359 nan 8.190 nan 0.000 0.483 719 S N 3.527 119.312 115.700 0.142 0.000 2.414 719 S HA 0.018 4.503 4.470 0.025 0.000 0.227 719 S C 0.792 175.495 174.600 0.172 0.000 1.022 719 S CA 0.703 58.986 58.200 0.139 0.000 0.958 719 S CB -0.120 63.148 63.200 0.112 0.000 0.797 719 S HN 0.838 nan 8.310 nan 0.000 0.493 720 N N -0.385 118.414 118.700 0.164 0.000 2.745 720 N HA 0.347 5.102 4.740 0.025 0.000 0.256 720 N C -2.058 173.301 175.510 -0.250 0.000 1.268 720 N CA -0.215 52.840 53.050 0.007 0.000 0.887 720 N CB 2.128 40.522 38.487 -0.154 0.000 1.575 720 N HN -0.135 nan 8.380 nan 0.000 0.496 721 V N 2.372 121.975 119.914 -0.519 0.000 2.588 721 V HA 0.609 4.744 4.120 0.025 0.000 0.304 721 V C -1.097 174.604 176.094 -0.655 0.000 1.042 721 V CA -0.527 61.396 62.300 -0.628 0.000 0.877 721 V CB 1.358 32.527 31.823 -1.090 0.000 0.996 721 V HN 0.501 nan 8.190 nan 0.000 0.425 722 F N 2.755 122.652 119.950 -0.088 0.000 2.434 722 F HA 0.722 5.263 4.527 0.024 0.000 0.355 722 F C 0.855 176.655 175.800 0.001 0.000 1.115 722 F CA -0.387 57.612 58.000 -0.002 0.000 1.010 722 F CB 1.831 40.829 39.000 -0.003 0.000 1.234 722 F HN 0.614 nan 8.300 nan 0.000 0.439 723 G N 2.384 111.295 108.800 0.185 0.000 2.557 723 G HA2 0.599 4.574 3.960 0.025 0.000 0.302 723 G HA3 0.599 4.574 3.960 0.025 0.000 0.302 723 G C -2.834 172.133 174.900 0.113 0.000 1.311 723 G CA -1.997 43.183 45.100 0.134 0.000 1.030 723 G HN 0.226 nan 8.290 nan 0.000 0.509 724 P HA 0.201 nan 4.420 nan 0.000 0.265 724 P C 0.917 178.253 177.300 0.060 0.000 1.187 724 P CA 1.619 64.750 63.100 0.051 0.000 0.766 724 P CB 0.912 32.622 31.700 0.016 0.000 0.820 725 G N 1.321 110.158 108.800 0.061 0.000 2.234 725 G HA2 -0.240 3.735 3.960 0.025 0.000 0.235 725 G HA3 -0.240 3.735 3.960 0.025 0.000 0.235 725 G C 0.396 175.359 174.900 0.105 0.000 0.997 725 G CA 0.101 45.242 45.100 0.068 0.000 0.623 725 G HN 0.635 nan 8.290 nan 0.000 0.514 726 T N 2.531 117.162 114.554 0.128 0.000 2.891 726 T HA 0.296 4.661 4.350 0.025 0.000 0.296 726 T C 0.779 175.564 174.700 0.143 0.000 1.025 726 T CA 0.548 62.744 62.100 0.159 0.000 1.149 726 T CB 0.298 69.277 68.868 0.185 0.000 1.007 726 T HN 0.456 nan 8.240 nan 0.000 0.528 727 R N 3.339 123.932 120.500 0.155 0.000 2.265 727 R HA 0.351 4.706 4.340 0.025 0.000 0.319 727 R C 1.296 177.684 176.300 0.148 0.000 1.006 727 R CA -0.661 55.546 56.100 0.178 0.000 0.880 727 R CB 0.961 31.375 30.300 0.189 0.000 1.077 727 R HN 0.607 nan 8.270 nan 0.000 0.454 728 I N 4.460 125.120 120.570 0.151 0.000 2.151 728 I HA -0.240 3.945 4.170 0.025 0.000 0.243 728 I C -0.781 175.314 176.117 -0.036 0.000 1.080 728 I CA 1.553 62.877 61.300 0.039 0.000 1.339 728 I CB -0.528 37.338 38.000 -0.223 0.000 1.039 728 I HN 0.526 nan 8.210 nan 0.000 0.409 729 P HA -0.172 nan 4.420 nan 0.000 0.218 729 P C 1.448 178.714 177.300 -0.056 0.000 1.149 729 P CA 1.378 64.434 63.100 -0.072 0.000 0.817 729 P CB -0.013 31.654 31.700 -0.055 0.000 0.785 730 K N -0.081 120.333 120.400 0.023 0.000 2.031 730 K HA -0.045 4.291 4.320 0.025 0.000 0.205 730 K C 2.043 178.670 176.600 0.046 0.000 1.049 730 K CA 1.285 57.604 56.287 0.053 0.000 0.939 730 K CB -0.583 31.982 32.500 0.108 0.000 0.717 730 K HN -0.069 nan 8.250 nan 0.000 0.438 731 A N 1.120 123.954 122.820 0.025 0.000 1.933 731 A HA -0.112 4.224 4.320 0.025 0.000 0.218 731 A C 2.309 179.780 177.584 -0.188 0.000 1.175 731 A CA 1.850 53.850 52.037 -0.061 0.000 0.628 731 A CB -0.818 18.065 19.000 -0.195 0.000 0.814 731 A HN 0.475 nan 8.150 nan 0.000 0.444 732 A N -0.575 121.942 122.820 -0.504 0.000 1.908 732 A HA -0.060 4.275 4.320 0.025 0.000 0.218 732 A C 2.228 179.665 177.584 -0.244 0.000 1.181 732 A CA 1.990 53.454 52.037 -0.955 0.000 0.627 732 A CB -0.925 17.503 19.000 -0.953 0.000 0.818 732 A HN 0.427 nan 8.150 nan 0.000 0.445 733 V N -0.278 119.564 119.914 -0.121 0.000 2.453 733 V HA -0.263 3.873 4.120 0.025 0.000 0.247 733 V C 2.588 178.713 176.094 0.051 0.000 1.048 733 V CA 2.056 64.344 62.300 -0.019 0.000 1.049 733 V CB -0.843 30.972 31.823 -0.013 0.000 0.672 733 V HN 0.633 nan 8.190 nan 0.000 0.457 734 Q N -0.500 119.360 119.800 0.100 0.000 2.084 734 Q HA -0.159 4.196 4.340 0.025 0.000 0.202 734 Q C 2.366 178.508 176.000 0.236 0.000 0.978 734 Q CA 1.726 57.649 55.803 0.200 0.000 0.844 734 Q CB -0.279 28.676 28.738 0.362 0.000 0.898 734 Q HN 0.525 nan 8.270 nan 0.000 0.426 735 V N 0.869 120.919 119.914 0.228 0.000 2.358 735 V HA -0.243 3.892 4.120 0.025 0.000 0.246 735 V C 2.162 178.381 176.094 0.209 0.000 1.047 735 V CA 1.340 63.791 62.300 0.252 0.000 1.035 735 V CB -0.485 31.476 31.823 0.231 0.000 0.658 735 V HN 0.299 nan 8.190 nan 0.000 0.452 736 L N 0.426 121.761 121.223 0.187 0.000 2.012 736 L HA -0.226 4.129 4.340 0.025 0.000 0.210 736 L C 2.183 179.085 176.870 0.053 0.000 1.073 736 L CA 2.196 57.055 54.840 0.031 0.000 0.748 736 L CB -0.911 41.106 42.059 -0.069 0.000 0.891 736 L HN 0.316 nan 8.230 nan 0.000 0.431 737 D N -0.257 120.188 120.400 0.075 0.000 2.133 737 D HA -0.213 4.442 4.640 0.025 0.000 0.192 737 D C 1.828 178.178 176.300 0.084 0.000 1.001 737 D CA 1.655 55.700 54.000 0.075 0.000 0.844 737 D CB -0.251 40.593 40.800 0.073 0.000 0.944 737 D HN 0.442 nan 8.370 nan 0.000 0.447 738 D N -0.034 120.430 120.400 0.106 0.000 2.117 738 D HA -0.056 4.599 4.640 0.025 0.000 0.198 738 D C 2.341 178.704 176.300 0.105 0.000 0.982 738 D CA 0.332 54.395 54.000 0.104 0.000 0.828 738 D CB -0.263 40.617 40.800 0.134 0.000 0.967 738 D HN 0.278 nan 8.370 nan 0.000 0.464 739 I N 1.066 121.704 120.570 0.114 0.000 2.226 739 I HA -0.223 3.962 4.170 0.025 0.000 0.245 739 I C 2.244 178.445 176.117 0.141 0.000 1.100 739 I CA 1.113 62.485 61.300 0.121 0.000 1.374 739 I CB -0.179 37.855 38.000 0.056 0.000 1.057 739 I HN -0.013 nan 8.210 nan 0.000 0.413 740 E N 0.500 120.788 120.200 0.146 0.000 2.077 740 E HA -0.192 4.173 4.350 0.025 0.000 0.193 740 E C 2.408 179.052 176.600 0.072 0.000 0.989 740 E CA 1.268 57.746 56.400 0.131 0.000 0.800 740 E CB -0.006 29.771 29.700 0.130 0.000 0.746 740 E HN 0.259 nan 8.360 nan 0.000 0.452 741 K N 0.290 120.729 120.400 0.065 0.000 2.063 741 K HA -0.170 4.166 4.320 0.025 0.000 0.208 741 K C 2.261 178.887 176.600 0.044 0.000 1.048 741 K CA 1.224 57.537 56.287 0.044 0.000 0.928 741 K CB -1.189 31.334 32.500 0.038 0.000 0.713 741 K HN 0.448 nan 8.250 nan 0.000 0.442 742 C N 0.613 119.949 119.300 0.061 0.000 2.446 742 C HA 0.055 4.530 4.460 0.025 0.000 0.277 742 C C 2.407 177.434 174.990 0.061 0.000 1.275 742 C CA 0.685 59.741 59.018 0.063 0.000 1.727 742 C CB -1.261 26.529 27.740 0.084 0.000 2.010 742 C HN 0.588 nan 8.230 nan 0.000 0.486 743 L N 0.601 121.866 121.223 0.070 0.000 2.191 743 L HA -0.119 4.236 4.340 0.025 0.000 0.212 743 L C 2.726 179.608 176.870 0.019 0.000 1.103 743 L CA 1.615 56.486 54.840 0.052 0.000 0.769 743 L CB -0.736 41.347 42.059 0.040 0.000 0.908 743 L HN 0.500 nan 8.230 nan 0.000 0.438 744 E N 0.661 120.869 120.200 0.015 0.000 2.012 744 E HA -0.179 4.186 4.350 0.025 0.000 0.197 744 E C 1.420 178.025 176.600 0.009 0.000 1.007 744 E CA 1.609 58.012 56.400 0.005 0.000 0.816 744 E CB -0.099 29.605 29.700 0.006 0.000 0.762 744 E HN 0.460 nan 8.360 nan 0.000 0.451 745 K N 0.000 120.410 120.400 0.016 0.000 2.780 745 K HA 0.000 4.335 4.320 0.025 0.000 0.191 745 K CA 0.000 56.296 56.287 0.015 0.000 0.838 745 K CB 0.000 32.510 32.500 0.016 0.000 1.064 745 K HN 0.000 nan 8.250 nan 0.000 0.543