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 3i4j_1_B DATA FIRST_RESID 3 DATA SEQUENCE NVFYRSSKPY PVAVRGEGVF LYDDAGRRYL DGSSGALVAN IGHGRAEVGE DATA SEQUENCE RMAAQAARLP FVHGSQFSSD VLEEYAGRLA RFVGLPTFRF WAVSGGSEAT DATA SEQUENCE ESAVKLARQY HVERGEPGRF KVITRVPSXX XXXXXXXXXX XXXXXRELYT DATA SEQUENCE PLMRPEAWPK LPKPDPARNG AEDAEGLRAL LEREGPETVA AFMAEPVVGA DATA SEQUENCE SDAALAPAPG YYERVRDICD EAGIIFIADE VMSGMGRCGS PLALSRWSGV DATA SEQUENCE TPDIAVLGKG LAAGYAPLAG LLAAPQVYET VMGGXXXFMH GFTYAGHPVS DATA SEQUENCE VAAGLSVLDI VEREDLTGAA KERGAQLLAG LQALQARFPQ MMQVRGTGLL DATA SEQUENCE LGVVLGDLXX XXXXXXXXIA SRIGAAALKR GLITYXXXXX XXXXXXDHLL DATA SEQUENCE LGPPLSITAA EVDGLLALLA GALEDVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.419 175.510 -0.152 0.000 1.280 3 N CA 0.000 52.997 53.050 -0.088 0.000 0.885 3 N CB 0.000 38.455 38.487 -0.054 0.000 1.341 4 V N 1.590 121.330 119.914 -0.291 0.000 2.498 4 V HA 0.282 4.401 4.120 -0.000 0.000 0.279 4 V C -0.157 175.597 176.094 -0.565 0.000 1.048 4 V CA -0.293 61.729 62.300 -0.464 0.000 0.967 4 V CB 0.820 32.214 31.823 -0.715 0.000 0.988 4 V HN 0.220 nan 8.190 nan 0.000 0.473 5 F N 6.094 125.784 119.950 -0.434 0.000 2.462 5 F HA 0.410 4.937 4.527 -0.000 0.000 0.354 5 F C 0.044 175.655 175.800 -0.315 0.000 1.192 5 F CA -0.695 57.129 58.000 -0.292 0.000 1.173 5 F CB -0.038 38.864 39.000 -0.163 0.000 1.402 5 F HN 0.449 nan 8.300 nan 0.000 0.595 6 Y N 4.043 124.405 120.300 0.104 0.000 2.426 6 Y HA 0.123 4.673 4.550 -0.001 0.000 0.344 6 Y C 1.635 177.570 175.900 0.058 0.000 1.256 6 Y CA -0.287 57.764 58.100 -0.082 0.000 1.451 6 Y CB 0.471 38.864 38.460 -0.112 0.000 1.342 6 Y HN 0.478 nan 8.280 nan 0.000 0.600 7 R N 0.349 120.861 120.500 0.020 0.000 2.189 7 R HA -0.014 4.325 4.340 -0.000 0.000 0.223 7 R C 0.088 176.533 176.300 0.241 0.000 1.092 7 R CA 1.162 57.330 56.100 0.114 0.000 0.989 7 R CB -0.035 30.286 30.300 0.035 0.000 0.876 7 R HN 0.733 nan 8.270 nan 0.000 0.457 8 S N -2.972 112.945 115.700 0.363 0.000 2.672 8 S HA 0.103 4.573 4.470 -0.000 0.000 0.271 8 S C 0.325 175.106 174.600 0.301 0.000 1.171 8 S CA -0.700 57.684 58.200 0.306 0.000 0.817 8 S CB 1.378 64.728 63.200 0.249 0.000 1.150 8 S HN -0.111 nan 8.310 nan 0.000 0.478 9 S N 0.357 116.147 115.700 0.150 0.000 2.522 9 S HA 0.072 4.542 4.470 -0.000 0.000 0.227 9 S C 0.735 175.338 174.600 0.006 0.000 0.986 9 S CA 0.576 58.823 58.200 0.078 0.000 0.929 9 S CB -1.021 62.202 63.200 0.038 0.000 0.769 9 S HN 0.743 nan 8.310 nan 0.000 0.529 10 K N 1.021 121.388 120.400 -0.054 0.000 2.180 10 K HA 0.340 4.660 4.320 -0.000 0.000 0.251 10 K C -2.948 173.428 176.600 -0.374 0.000 1.014 10 K CA -1.586 54.566 56.287 -0.224 0.000 0.913 10 K CB -0.444 31.868 32.500 -0.313 0.000 1.008 10 K HN -0.050 nan 8.250 nan 0.000 0.490 11 P HA 0.044 nan 4.420 nan 0.000 0.276 11 P C -1.474 175.522 177.300 -0.506 0.000 1.235 11 P CA 0.015 62.921 63.100 -0.323 0.000 0.772 11 P CB 0.189 31.773 31.700 -0.194 0.000 0.871 12 Y N 3.467 123.592 120.300 -0.292 0.000 2.356 12 Y HA 0.353 4.903 4.550 -0.001 0.000 0.334 12 Y C -1.633 174.176 175.900 -0.151 0.000 0.958 12 Y CA -2.102 55.861 58.100 -0.229 0.000 1.196 12 Y CB 0.327 38.606 38.460 -0.302 0.000 1.137 12 Y HN 0.371 nan 8.280 nan 0.000 0.485 13 P HA 0.106 nan 4.420 nan 0.000 0.269 13 P C -0.953 176.383 177.300 0.059 0.000 1.209 13 P CA -0.306 62.812 63.100 0.029 0.000 0.776 13 P CB 0.755 32.465 31.700 0.016 0.000 0.876 14 V N 2.419 122.375 119.914 0.070 0.000 2.334 14 V HA 0.427 4.547 4.120 -0.000 0.000 0.267 14 V C 0.553 176.687 176.094 0.067 0.000 1.040 14 V CA -0.740 61.606 62.300 0.077 0.000 0.866 14 V CB 0.374 32.246 31.823 0.083 0.000 1.019 14 V HN 0.735 nan 8.190 nan 0.000 0.468 15 A N 4.451 127.297 122.820 0.043 0.000 2.425 15 A HA 0.526 4.845 4.320 -0.000 0.000 0.249 15 A C 0.902 178.518 177.584 0.053 0.000 1.084 15 A CA 0.345 52.407 52.037 0.041 0.000 0.781 15 A CB 0.894 19.885 19.000 -0.014 0.000 1.019 15 A HN 1.394 nan 8.150 nan 0.000 0.490 16 V N -0.571 119.390 119.914 0.079 0.000 3.480 16 V HA 0.477 4.597 4.120 -0.000 0.000 0.263 16 V C 0.420 176.549 176.094 0.058 0.000 1.442 16 V CA 0.591 62.928 62.300 0.060 0.000 1.053 16 V CB -0.701 31.157 31.823 0.058 0.000 0.846 16 V HN 0.923 nan 8.190 nan 0.000 0.440 17 R N -0.145 120.419 120.500 0.105 0.000 2.629 17 R HA 0.638 4.978 4.340 -0.000 0.000 0.266 17 R C -1.109 175.316 176.300 0.208 0.000 1.051 17 R CA 0.086 56.252 56.100 0.111 0.000 0.895 17 R CB 2.014 32.323 30.300 0.014 0.000 1.246 17 R HN 0.403 nan 8.270 nan 0.000 0.459 18 G N 1.889 110.783 108.800 0.156 0.000 2.666 18 G HA2 0.411 4.371 3.960 -0.000 0.000 0.303 18 G HA3 0.411 4.371 3.960 -0.000 0.000 0.303 18 G C -1.569 173.500 174.900 0.282 0.000 1.412 18 G CA -0.310 44.871 45.100 0.136 0.000 0.979 18 G HN 0.507 nan 8.290 nan 0.000 0.507 19 E N 2.249 122.690 120.200 0.402 0.000 2.283 19 E HA 0.504 4.854 4.350 -0.000 0.000 0.258 19 E C 0.838 177.679 176.600 0.401 0.000 0.893 19 E CA 0.178 56.804 56.400 0.376 0.000 0.798 19 E CB 1.191 31.114 29.700 0.372 0.000 1.242 19 E HN 1.205 nan 8.360 nan 0.000 0.414 20 G N 2.288 111.266 108.800 0.296 0.000 2.565 20 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.295 20 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.295 20 G C 0.806 175.802 174.900 0.161 0.000 1.165 20 G CA 0.475 45.701 45.100 0.211 0.000 0.977 20 G HN 1.085 nan 8.290 nan 0.000 0.546 21 V N -1.833 118.057 119.914 -0.040 0.000 3.596 21 V HA 0.682 4.802 4.120 -0.000 0.000 0.289 21 V C 0.575 176.429 176.094 -0.399 0.000 1.336 21 V CA 0.508 62.663 62.300 -0.242 0.000 1.137 21 V CB -0.788 30.763 31.823 -0.454 0.000 0.966 21 V HN 0.598 nan 8.190 nan 0.000 0.428 22 F N 0.372 120.399 119.950 0.129 0.000 2.492 22 F HA 0.787 5.313 4.527 -0.001 0.000 0.327 22 F C -0.091 175.642 175.800 -0.112 0.000 1.079 22 F CA -1.086 56.891 58.000 -0.038 0.000 0.967 22 F CB 1.814 40.718 39.000 -0.161 0.000 1.169 22 F HN -0.125 nan 8.300 nan 0.000 0.472 23 L N 2.414 123.622 121.223 -0.025 0.000 2.354 23 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 23 L C -1.430 175.392 176.870 -0.080 0.000 1.005 23 L CA -0.974 53.838 54.840 -0.048 0.000 0.819 23 L CB 2.110 44.102 42.059 -0.111 0.000 1.311 23 L HN 0.559 nan 8.230 nan 0.000 0.423 24 Y N -0.055 120.332 120.300 0.146 0.000 2.425 24 Y HA 0.356 4.905 4.550 -0.001 0.000 0.344 24 Y C -0.266 175.719 175.900 0.142 0.000 0.969 24 Y CA -1.159 57.033 58.100 0.154 0.000 1.052 24 Y CB 1.827 40.331 38.460 0.074 0.000 1.215 24 Y HN 0.596 nan 8.280 nan 0.000 0.451 25 D N -0.637 119.955 120.400 0.319 0.000 2.494 25 D HA 0.124 4.764 4.640 -0.000 0.000 0.259 25 D C 0.179 176.571 176.300 0.153 0.000 1.109 25 D CA -0.750 53.381 54.000 0.219 0.000 1.040 25 D CB 0.658 41.609 40.800 0.252 0.000 1.175 25 D HN 0.561 nan 8.370 nan 0.000 0.584 26 D N -1.728 118.737 120.400 0.108 0.000 2.319 26 D HA 0.140 4.780 4.640 -0.000 0.000 0.230 26 D C 0.612 176.950 176.300 0.062 0.000 1.094 26 D CA -0.135 53.910 54.000 0.075 0.000 0.856 26 D CB -0.308 40.528 40.800 0.060 0.000 0.915 26 D HN 0.386 nan 8.370 nan 0.000 0.517 27 A N -0.603 122.260 122.820 0.072 0.000 2.589 27 A HA 0.642 4.962 4.320 -0.000 0.000 0.283 27 A C 1.643 179.249 177.584 0.036 0.000 1.187 27 A CA 0.045 52.111 52.037 0.048 0.000 0.957 27 A CB -0.051 18.977 19.000 0.047 0.000 1.175 27 A HN 0.453 nan 8.150 nan 0.000 0.532 28 G N -0.337 108.493 108.800 0.050 0.000 2.176 28 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 28 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 28 G C 0.230 175.134 174.900 0.008 0.000 0.979 28 G CA 0.007 45.128 45.100 0.035 0.000 0.641 28 G HN 0.432 nan 8.290 nan 0.000 0.530 29 R N 0.221 120.715 120.500 -0.011 0.000 2.410 29 R HA 0.600 4.940 4.340 -0.000 0.000 0.288 29 R C 0.402 176.557 176.300 -0.242 0.000 1.051 29 R CA -0.557 55.429 56.100 -0.191 0.000 1.021 29 R CB 1.194 31.309 30.300 -0.308 0.000 1.032 29 R HN 0.438 nan 8.270 nan 0.000 0.481 30 R N 2.087 122.330 120.500 -0.427 0.000 2.637 30 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 30 R C -1.223 174.777 176.300 -0.499 0.000 0.963 30 R CA -0.527 55.314 56.100 -0.432 0.000 0.901 30 R CB 1.184 31.242 30.300 -0.403 0.000 1.160 30 R HN 0.527 nan 8.270 nan 0.000 0.457 31 Y N 2.630 122.850 120.300 -0.133 0.000 2.477 31 Y HA 0.360 4.910 4.550 -0.001 0.000 0.347 31 Y C -0.505 175.442 175.900 0.079 0.000 0.981 31 Y CA -0.954 57.135 58.100 -0.018 0.000 1.033 31 Y CB 2.020 40.451 38.460 -0.048 0.000 1.245 31 Y HN 0.365 nan 8.280 nan 0.000 0.455 32 L N 3.026 124.382 121.223 0.222 0.000 2.265 32 L HA 0.356 4.696 4.340 -0.000 0.000 0.288 32 L C -0.244 176.618 176.870 -0.014 0.000 1.058 32 L CA -0.455 54.386 54.840 0.002 0.000 0.809 32 L CB 0.623 42.682 42.059 -0.001 0.000 1.179 32 L HN 0.669 nan 8.230 nan 0.000 0.429 33 D N 3.759 124.118 120.400 -0.070 0.000 2.545 33 D HA 0.098 4.738 4.640 -0.000 0.000 0.227 33 D C 1.234 177.526 176.300 -0.013 0.000 1.150 33 D CA 0.215 54.214 54.000 -0.001 0.000 1.046 33 D CB 1.024 41.886 40.800 0.104 0.000 1.098 33 D HN 0.756 nan 8.370 nan 0.000 0.502 34 G N 1.082 109.880 108.800 -0.004 0.000 2.498 34 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.219 34 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.219 34 G C 1.123 176.040 174.900 0.030 0.000 1.119 34 G CA 0.860 45.962 45.100 0.004 0.000 0.766 34 G HN 0.467 nan 8.290 nan 0.000 0.552 35 S N -1.415 114.314 115.700 0.049 0.000 2.749 35 S HA 0.353 4.823 4.470 -0.000 0.000 0.246 35 S C 0.860 175.509 174.600 0.081 0.000 1.023 35 S CA 0.654 58.911 58.200 0.095 0.000 1.012 35 S CB 0.250 63.544 63.200 0.156 0.000 0.942 35 S HN 0.300 nan 8.310 nan 0.000 0.531 36 S N 1.221 116.950 115.700 0.048 0.000 3.549 36 S HA -0.073 4.397 4.470 -0.000 0.000 0.366 36 S C 1.451 176.078 174.600 0.044 0.000 1.012 36 S CA 0.968 59.190 58.200 0.036 0.000 1.141 36 S CB -1.975 61.229 63.200 0.008 0.000 0.910 36 S HN 1.916 nan 8.310 nan 0.000 0.471 37 G N 0.889 109.711 108.800 0.037 0.000 3.487 37 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.295 37 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.295 37 G C 0.214 175.066 174.900 -0.080 0.000 1.454 37 G CA 0.454 45.544 45.100 -0.017 0.000 1.039 37 G HN 2.055 nan 8.290 nan 0.000 0.624 38 A N -1.451 121.327 122.820 -0.069 0.000 3.129 38 A HA 0.717 5.037 4.320 -0.000 0.000 0.282 38 A C 0.646 178.333 177.584 0.171 0.000 0.948 38 A CA 0.602 52.569 52.037 -0.117 0.000 1.027 38 A CB 0.178 19.025 19.000 -0.254 0.000 1.123 38 A HN 1.907 nan 8.150 nan 0.000 0.485 39 L N -1.287 120.042 121.223 0.177 0.000 3.634 39 L HA -0.231 4.108 4.340 -0.000 0.000 0.423 39 L C 1.091 178.010 176.870 0.082 0.000 1.253 39 L CA 0.918 55.842 54.840 0.140 0.000 0.885 39 L CB -2.182 39.981 42.059 0.175 0.000 1.789 39 L HN 0.385 nan 8.230 nan 0.000 0.904 40 V N -1.825 118.115 119.914 0.043 0.000 2.911 40 V HA 0.280 4.400 4.120 -0.000 0.000 0.237 40 V C 1.686 177.769 176.094 -0.019 0.000 1.156 40 V CA 0.919 63.228 62.300 0.015 0.000 1.180 40 V CB 0.407 32.229 31.823 -0.002 0.000 0.932 40 V HN 0.520 nan 8.190 nan 0.000 0.483 41 A N 1.383 124.166 122.820 -0.060 0.000 3.051 41 A HA 0.144 4.464 4.320 -0.000 0.000 0.257 41 A C 1.142 178.653 177.584 -0.122 0.000 1.785 41 A CA -0.038 51.902 52.037 -0.162 0.000 1.420 41 A CB -0.968 17.790 19.000 -0.404 0.000 1.063 41 A HN 0.493 nan 8.150 nan 0.000 0.630 42 N N 0.920 119.595 118.700 -0.041 0.000 2.205 42 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 42 N C 1.334 176.829 175.510 -0.025 0.000 1.015 42 N CA 1.914 54.953 53.050 -0.019 0.000 0.862 42 N CB -0.285 38.207 38.487 0.008 0.000 0.986 42 N HN 0.881 nan 8.380 nan 0.000 0.429 43 I N -4.140 116.423 120.570 -0.011 0.000 3.941 43 I HA 0.433 4.603 4.170 -0.000 0.000 0.335 43 I C 0.593 176.705 176.117 -0.009 0.000 1.402 43 I CA -0.298 60.998 61.300 -0.007 0.000 1.112 43 I CB -0.130 37.865 38.000 -0.007 0.000 1.043 43 I HN -0.023 nan 8.210 nan 0.000 0.395 44 G N 1.399 110.148 108.800 -0.085 0.000 2.707 44 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 44 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 44 G C -1.018 173.807 174.900 -0.125 0.000 1.315 44 G CA -0.601 44.423 45.100 -0.127 0.000 0.832 44 G HN 0.646 nan 8.290 nan 0.000 0.573 45 H N -0.514 118.627 119.070 0.119 0.000 2.483 45 H HA 0.531 5.087 4.556 -0.000 0.000 0.338 45 H C 1.182 176.624 175.328 0.190 0.000 1.152 45 H CA 0.722 56.849 56.048 0.131 0.000 1.264 45 H CB 1.650 31.461 29.762 0.081 0.000 1.510 45 H HN 2.133 nan 8.280 nan 0.000 0.530 46 G N 1.690 110.700 108.800 0.351 0.000 2.160 46 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 46 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 46 G C -0.236 174.792 174.900 0.213 0.000 1.022 46 G CA -0.654 44.603 45.100 0.261 0.000 0.741 46 G HN 0.442 nan 8.290 nan 0.000 0.508 47 R N 0.119 120.767 120.500 0.248 0.000 2.357 47 R HA 0.485 4.825 4.340 -0.000 0.000 0.330 47 R C 1.576 177.859 176.300 -0.028 0.000 1.102 47 R CA 0.398 56.507 56.100 0.015 0.000 0.974 47 R CB 0.311 30.475 30.300 -0.226 0.000 1.002 47 R HN 0.518 nan 8.270 nan 0.000 0.463 48 A N 3.025 125.846 122.820 0.002 0.000 1.972 48 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 48 A C 2.058 179.612 177.584 -0.050 0.000 1.169 48 A CA 1.380 53.414 52.037 -0.004 0.000 0.635 48 A CB -0.212 18.791 19.000 0.005 0.000 0.810 48 A HN 0.784 nan 8.150 nan 0.000 0.446 49 E N -0.056 120.095 120.200 -0.080 0.000 2.058 49 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 49 E C 1.856 178.371 176.600 -0.142 0.000 0.997 49 E CA 1.779 58.119 56.400 -0.100 0.000 0.801 49 E CB -0.152 29.483 29.700 -0.108 0.000 0.746 49 E HN 0.357 nan 8.360 nan 0.000 0.450 50 V N 0.586 120.355 119.914 -0.242 0.000 2.343 50 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 50 V C 2.447 178.445 176.094 -0.160 0.000 1.051 50 V CA 1.841 63.958 62.300 -0.305 0.000 1.036 50 V CB -1.048 30.343 31.823 -0.719 0.000 0.654 50 V HN 0.505 nan 8.190 nan 0.000 0.451 51 G N -0.027 108.717 108.800 -0.092 0.000 2.440 51 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 51 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 51 G C 1.451 176.340 174.900 -0.018 0.000 1.154 51 G CA 0.791 45.890 45.100 -0.002 0.000 0.767 51 G HN 0.506 nan 8.290 nan 0.000 0.552 52 E N 0.588 120.767 120.200 -0.035 0.000 2.106 52 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 52 E C 2.715 179.291 176.600 -0.040 0.000 0.984 52 E CA 0.445 56.826 56.400 -0.031 0.000 0.806 52 E CB -0.260 29.419 29.700 -0.033 0.000 0.750 52 E HN 0.258 nan 8.360 nan 0.000 0.458 53 R N 0.142 120.606 120.500 -0.060 0.000 2.115 53 R HA 0.061 4.401 4.340 -0.000 0.000 0.230 53 R C 2.342 178.606 176.300 -0.060 0.000 1.111 53 R CA 0.821 56.881 56.100 -0.066 0.000 0.976 53 R CB -0.430 29.815 30.300 -0.092 0.000 0.870 53 R HN 0.303 nan 8.270 nan 0.000 0.445 54 M N -0.268 119.302 119.600 -0.050 0.000 2.156 54 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 54 M C 2.445 178.734 176.300 -0.019 0.000 1.067 54 M CA 1.591 56.871 55.300 -0.034 0.000 1.131 54 M CB -0.369 32.229 32.600 -0.003 0.000 1.368 54 M HN 0.099 nan 8.290 nan 0.000 0.416 55 A N 0.715 123.528 122.820 -0.011 0.000 1.902 55 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 55 A C 2.398 179.976 177.584 -0.010 0.000 1.181 55 A CA 1.969 54.004 52.037 -0.004 0.000 0.623 55 A CB -0.954 18.045 19.000 -0.001 0.000 0.818 55 A HN 0.482 nan 8.150 nan 0.000 0.443 56 A N -1.095 121.713 122.820 -0.020 0.000 1.902 56 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 56 A C 2.156 179.724 177.584 -0.026 0.000 1.181 56 A CA 2.160 54.184 52.037 -0.022 0.000 0.623 56 A CB -0.489 18.494 19.000 -0.028 0.000 0.818 56 A HN 0.533 nan 8.150 nan 0.000 0.443 57 Q N -0.334 119.445 119.800 -0.036 0.000 2.123 57 Q HA 0.061 4.401 4.340 -0.000 0.000 0.199 57 Q C 2.024 178.007 176.000 -0.029 0.000 0.966 57 Q CA 1.842 57.617 55.803 -0.046 0.000 0.845 57 Q CB -0.575 28.117 28.738 -0.076 0.000 0.907 57 Q HN 0.554 nan 8.270 nan 0.000 0.439 58 A N 0.054 122.867 122.820 -0.012 0.000 1.933 58 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 58 A C 2.208 179.802 177.584 0.017 0.000 1.175 58 A CA 1.697 53.744 52.037 0.016 0.000 0.628 58 A CB -0.949 18.069 19.000 0.030 0.000 0.814 58 A HN 0.473 nan 8.150 nan 0.000 0.444 59 A N -0.833 121.990 122.820 0.005 0.000 2.014 59 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 59 A C 2.135 179.718 177.584 -0.002 0.000 1.163 59 A CA 1.786 53.825 52.037 0.003 0.000 0.652 59 A CB -0.273 18.727 19.000 -0.001 0.000 0.808 59 A HN 0.471 nan 8.150 nan 0.000 0.449 60 R N -1.511 118.983 120.500 -0.009 0.000 2.074 60 R HA 0.324 4.664 4.340 -0.000 0.000 0.218 60 R C -0.146 176.142 176.300 -0.020 0.000 1.137 60 R CA 1.158 57.248 56.100 -0.016 0.000 0.998 60 R CB -0.092 30.194 30.300 -0.023 0.000 0.895 60 R HN 0.414 nan 8.270 nan 0.000 0.442 61 L N 1.403 122.613 121.223 -0.021 0.000 2.673 61 L HA 0.416 4.756 4.340 -0.000 0.000 0.255 61 L C -2.431 174.434 176.870 -0.008 0.000 1.015 61 L CA -1.085 53.741 54.840 -0.024 0.000 0.930 61 L CB 2.269 44.295 42.059 -0.054 0.000 1.185 61 L HN 0.066 nan 8.230 nan 0.000 0.457 62 P HA 0.015 nan 4.420 nan 0.000 0.221 62 P C -0.032 177.411 177.300 0.238 0.000 1.155 62 P CA 0.825 63.990 63.100 0.109 0.000 0.812 62 P CB 0.446 32.242 31.700 0.160 0.000 0.801 63 F N 0.934 120.924 119.950 0.067 0.000 2.596 63 F HA 0.473 4.999 4.527 -0.000 0.000 0.311 63 F C -1.545 174.287 175.800 0.054 0.000 1.116 63 F CA -0.983 57.085 58.000 0.112 0.000 0.957 63 F CB 2.013 41.095 39.000 0.137 0.000 1.250 63 F HN -0.225 nan 8.300 nan 0.000 0.444 64 V N 2.202 121.576 119.914 -0.900 0.000 3.012 64 V HA 0.495 4.614 4.120 -0.000 0.000 0.307 64 V C -1.608 173.937 176.094 -0.916 0.000 1.166 64 V CA -0.670 61.288 62.300 -0.570 0.000 0.974 64 V CB 1.604 33.322 31.823 -0.175 0.000 1.040 64 V HN 0.972 nan 8.190 nan 0.000 0.428 65 H N 2.393 121.195 119.070 -0.446 0.000 2.527 65 H HA 0.417 4.973 4.556 -0.000 0.000 0.321 65 H C 1.285 176.567 175.328 -0.077 0.000 1.087 65 H CA 0.589 56.492 56.048 -0.242 0.000 1.337 65 H CB 1.998 31.789 29.762 0.047 0.000 1.440 65 H HN 1.079 nan 8.280 nan 0.000 0.490 66 G N 2.596 111.212 108.800 -0.307 0.000 2.479 66 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.220 66 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.220 66 G C 1.506 176.469 174.900 0.106 0.000 1.115 66 G CA 0.937 45.985 45.100 -0.087 0.000 0.757 66 G HN 0.627 nan 8.290 nan 0.000 0.560 67 S N -0.867 115.028 115.700 0.325 0.000 2.522 67 S HA 0.060 4.530 4.470 -0.000 0.000 0.227 67 S C 1.916 176.584 174.600 0.113 0.000 0.986 67 S CA 1.042 59.413 58.200 0.284 0.000 0.929 67 S CB 0.057 63.472 63.200 0.359 0.000 0.769 67 S HN 0.584 nan 8.310 nan 0.000 0.529 68 Q N -0.942 118.901 119.800 0.071 0.000 2.532 68 Q HA 0.437 4.777 4.340 -0.000 0.000 0.247 68 Q C -0.680 174.984 176.000 -0.560 0.000 0.872 68 Q CA 0.293 55.957 55.803 -0.232 0.000 0.963 68 Q CB 0.602 29.265 28.738 -0.126 0.000 1.159 68 Q HN 0.547 nan 8.270 nan 0.000 0.598 69 F N -0.666 119.304 119.950 0.033 0.000 2.626 69 F HA 0.467 4.994 4.527 -0.000 0.000 0.311 69 F C -0.018 175.774 175.800 -0.014 0.000 1.088 69 F CA -1.001 57.004 58.000 0.008 0.000 0.949 69 F CB 2.046 41.039 39.000 -0.013 0.000 1.322 69 F HN -0.197 nan 8.300 nan 0.000 0.461 70 S N 0.247 116.076 115.700 0.216 0.000 2.718 70 S HA 0.872 5.342 4.470 -0.000 0.000 0.292 70 S C -0.689 173.970 174.600 0.099 0.000 1.125 70 S CA -0.089 58.180 58.200 0.115 0.000 1.013 70 S CB 1.210 64.471 63.200 0.101 0.000 1.192 70 S HN 0.830 nan 8.310 nan 0.000 0.535 71 S N -0.124 115.607 115.700 0.052 0.000 2.556 71 S HA 0.371 4.841 4.470 -0.000 0.000 0.271 71 S C 0.015 174.630 174.600 0.025 0.000 1.135 71 S CA -0.326 57.885 58.200 0.018 0.000 0.858 71 S CB 1.328 64.514 63.200 -0.024 0.000 1.114 71 S HN 0.746 nan 8.310 nan 0.000 0.468 72 D N 1.740 122.147 120.400 0.011 0.000 2.144 72 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 72 D C 2.035 178.348 176.300 0.021 0.000 0.984 72 D CA 1.793 55.803 54.000 0.017 0.000 0.834 72 D CB -1.147 39.657 40.800 0.006 0.000 0.955 72 D HN 0.644 nan 8.370 nan 0.000 0.465 73 V N -1.368 118.550 119.914 0.007 0.000 2.515 73 V HA -0.108 4.012 4.120 -0.000 0.000 0.250 73 V C 2.439 178.570 176.094 0.062 0.000 1.058 73 V CA 1.104 63.411 62.300 0.011 0.000 1.064 73 V CB -0.981 30.821 31.823 -0.035 0.000 0.675 73 V HN 0.170 nan 8.190 nan 0.000 0.461 74 L N 0.747 122.011 121.223 0.068 0.000 2.072 74 L HA 0.019 4.359 4.340 -0.000 0.000 0.205 74 L C 2.614 179.576 176.870 0.154 0.000 1.079 74 L CA 1.882 56.809 54.840 0.144 0.000 0.752 74 L CB -1.005 41.116 42.059 0.104 0.000 0.906 74 L HN 0.278 nan 8.230 nan 0.000 0.436 75 E N -0.028 120.229 120.200 0.095 0.000 2.085 75 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 75 E C 2.037 178.674 176.600 0.062 0.000 0.994 75 E CA 1.584 58.028 56.400 0.074 0.000 0.801 75 E CB -0.189 29.544 29.700 0.054 0.000 0.743 75 E HN 0.699 nan 8.360 nan 0.000 0.453 76 E N -0.182 120.056 120.200 0.064 0.000 2.028 76 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 76 E C 2.141 178.777 176.600 0.060 0.000 0.988 76 E CA 0.792 57.222 56.400 0.050 0.000 0.799 76 E CB -0.229 29.498 29.700 0.045 0.000 0.755 76 E HN 0.204 nan 8.360 nan 0.000 0.447 77 Y N 0.908 121.183 120.300 -0.042 0.000 2.181 77 Y HA -0.187 4.363 4.550 -0.001 0.000 0.288 77 Y C 2.036 177.855 175.900 -0.136 0.000 1.146 77 Y CA 1.617 59.663 58.100 -0.090 0.000 1.164 77 Y CB -0.701 37.710 38.460 -0.082 0.000 0.982 77 Y HN 0.152 nan 8.280 nan 0.000 0.515 78 A N 0.104 122.852 122.820 -0.120 0.000 1.892 78 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 78 A C 2.526 179.977 177.584 -0.221 0.000 1.188 78 A CA 2.046 53.971 52.037 -0.187 0.000 0.631 78 A CB -1.711 17.353 19.000 0.107 0.000 0.822 78 A HN 0.592 nan 8.150 nan 0.000 0.447 79 G N -1.139 107.589 108.800 -0.120 0.000 2.402 79 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 79 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 79 G C 1.717 176.539 174.900 -0.131 0.000 1.162 79 G CA 0.677 45.721 45.100 -0.094 0.000 0.777 79 G HN 0.383 nan 8.290 nan 0.000 0.539 80 R N -0.292 120.111 120.500 -0.161 0.000 2.073 80 R HA 0.005 4.345 4.340 -0.000 0.000 0.234 80 R C 2.494 178.668 176.300 -0.211 0.000 1.134 80 R CA 0.937 56.948 56.100 -0.149 0.000 0.952 80 R CB -1.083 29.149 30.300 -0.114 0.000 0.850 80 R HN 0.431 nan 8.270 nan 0.000 0.433 81 L N 0.817 121.763 121.223 -0.461 0.000 2.027 81 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 81 L C 2.276 178.998 176.870 -0.246 0.000 1.074 81 L CA 2.099 56.650 54.840 -0.482 0.000 0.745 81 L CB -0.886 40.543 42.059 -1.051 0.000 0.898 81 L HN 0.149 nan 8.230 nan 0.000 0.433 82 A N -0.277 122.392 122.820 -0.251 0.000 1.892 82 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 82 A C 2.441 179.951 177.584 -0.123 0.000 1.188 82 A CA 2.152 54.099 52.037 -0.149 0.000 0.631 82 A CB -0.624 18.329 19.000 -0.078 0.000 0.822 82 A HN 0.538 nan 8.150 nan 0.000 0.447 83 R N -2.168 118.280 120.500 -0.087 0.000 2.075 83 R HA -0.080 4.259 4.340 -0.000 0.000 0.232 83 R C 2.048 178.320 176.300 -0.045 0.000 1.126 83 R CA 1.437 57.501 56.100 -0.060 0.000 0.963 83 R CB -0.519 29.762 30.300 -0.032 0.000 0.858 83 R HN 0.610 nan 8.270 nan 0.000 0.435 84 F N 1.830 121.693 119.950 -0.145 0.000 2.095 84 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 84 F C 1.928 177.653 175.800 -0.125 0.000 1.104 84 F CA 1.543 59.468 58.000 -0.125 0.000 1.232 84 F CB -0.310 38.611 39.000 -0.133 0.000 0.987 84 F HN -0.160 nan 8.300 nan 0.000 0.475 85 V N -1.038 118.663 119.914 -0.355 0.000 3.573 85 V HA 0.368 4.488 4.120 -0.000 0.000 0.270 85 V C 1.482 177.356 176.094 -0.367 0.000 1.221 85 V CA 0.624 62.654 62.300 -0.451 0.000 1.163 85 V CB -0.971 30.698 31.823 -0.258 0.000 0.847 85 V HN 0.818 nan 8.190 nan 0.000 0.468 86 G N 0.939 109.557 108.800 -0.302 0.000 2.147 86 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 86 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 86 G C -0.026 174.705 174.900 -0.281 0.000 1.005 86 G CA 0.418 45.370 45.100 -0.246 0.000 0.713 86 G HN 0.675 nan 8.290 nan 0.000 0.515 87 L N 0.257 121.282 121.223 -0.330 0.000 2.783 87 L HA 0.251 4.591 4.340 -0.000 0.000 0.265 87 L C -0.680 176.079 176.870 -0.185 0.000 1.398 87 L CA -1.350 53.191 54.840 -0.499 0.000 0.802 87 L CB 1.053 42.517 42.059 -0.990 0.000 1.126 87 L HN -0.011 nan 8.230 nan 0.000 0.529 88 P HA -0.214 nan 4.420 nan 0.000 0.218 88 P C 1.233 178.569 177.300 0.059 0.000 1.146 88 P CA 1.670 64.762 63.100 -0.014 0.000 0.820 88 P CB 0.043 31.732 31.700 -0.018 0.000 0.778 89 T N -5.998 108.650 114.554 0.158 0.000 3.060 89 T HA 0.129 4.479 4.350 -0.000 0.000 0.249 89 T C 0.591 175.421 174.700 0.216 0.000 1.079 89 T CA -0.433 61.767 62.100 0.167 0.000 1.013 89 T CB -0.594 68.365 68.868 0.150 0.000 0.975 89 T HN -0.248 nan 8.240 nan 0.000 0.518 90 F N 2.633 122.551 119.950 -0.054 0.000 2.444 90 F HA 0.497 5.024 4.527 -0.000 0.000 0.331 90 F C 1.178 176.927 175.800 -0.084 0.000 1.167 90 F CA -1.293 56.671 58.000 -0.061 0.000 1.262 90 F CB 0.479 39.450 39.000 -0.049 0.000 1.196 90 F HN -0.151 nan 8.300 nan 0.000 0.583 91 R N 1.971 122.464 120.500 -0.012 0.000 2.294 91 R HA 0.244 4.583 4.340 -0.000 0.000 0.319 91 R C -1.161 175.175 176.300 0.061 0.000 0.984 91 R CA -0.710 55.306 56.100 -0.140 0.000 0.861 91 R CB 1.040 31.005 30.300 -0.559 0.000 1.104 91 R HN 0.441 nan 8.270 nan 0.000 0.451 92 F N 4.026 123.941 119.950 -0.058 0.000 2.411 92 F HA 0.223 4.750 4.527 0.000 0.000 0.355 92 F C -0.413 175.460 175.800 0.121 0.000 1.117 92 F CA -1.270 56.745 58.000 0.025 0.000 1.139 92 F CB 0.658 39.647 39.000 -0.019 0.000 1.120 92 F HN 0.485 nan 8.300 nan 0.000 0.493 93 W N 8.829 129.773 121.300 -0.594 0.000 2.278 93 W HA 0.681 5.340 4.660 -0.000 0.000 0.317 93 W C -1.396 174.587 176.519 -0.895 0.000 1.030 93 W CA -1.036 55.987 57.345 -0.538 0.000 1.334 93 W CB 1.269 30.585 29.460 -0.240 0.000 1.215 93 W HN 0.768 nan 8.180 nan 0.000 0.405 94 A N 5.964 127.989 122.820 -1.324 0.000 2.309 94 A HA 0.643 4.963 4.320 -0.000 0.000 0.298 94 A C -0.487 176.533 177.584 -0.940 0.000 1.165 94 A CA -0.293 51.095 52.037 -1.082 0.000 0.821 94 A CB 1.006 19.648 19.000 -0.596 0.000 1.102 94 A HN 0.828 nan 8.150 nan 0.000 0.500 95 V N -0.520 119.026 119.914 -0.612 0.000 3.084 95 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 95 V C 0.550 176.495 176.094 -0.248 0.000 1.311 95 V CA 0.053 62.014 62.300 -0.564 0.000 1.062 95 V CB 1.176 32.579 31.823 -0.700 0.000 1.113 95 V HN 0.674 nan 8.190 nan 0.000 0.468 96 S N -0.283 115.313 115.700 -0.173 0.000 2.492 96 S HA 0.566 5.036 4.470 -0.000 0.000 0.218 96 S C 0.595 175.174 174.600 -0.035 0.000 1.016 96 S CA 0.589 58.755 58.200 -0.056 0.000 0.916 96 S CB 0.451 63.646 63.200 -0.009 0.000 0.791 96 S HN 1.458 nan 8.310 nan 0.000 0.513 97 G N -0.447 108.329 108.800 -0.039 0.000 2.672 97 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 97 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 97 G C 0.647 175.551 174.900 0.007 0.000 1.375 97 G CA -0.146 44.952 45.100 -0.004 0.000 0.890 97 G HN 0.094 nan 8.290 nan 0.000 0.476 98 G N -0.138 108.679 108.800 0.027 0.000 2.418 98 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 98 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 98 G C 1.986 176.917 174.900 0.051 0.000 1.158 98 G CA 1.960 47.085 45.100 0.042 0.000 0.771 98 G HN 0.833 nan 8.290 nan 0.000 0.545 99 S N 0.309 116.040 115.700 0.051 0.000 2.356 99 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 99 S C 2.258 176.916 174.600 0.097 0.000 1.032 99 S CA 1.851 60.090 58.200 0.066 0.000 1.005 99 S CB -0.317 62.918 63.200 0.058 0.000 0.867 99 S HN 0.594 nan 8.310 nan 0.000 0.449 100 E N 0.743 121.001 120.200 0.097 0.000 2.110 100 E HA -0.101 4.248 4.350 -0.000 0.000 0.193 100 E C 2.393 179.050 176.600 0.094 0.000 0.988 100 E CA 1.041 57.521 56.400 0.133 0.000 0.804 100 E CB -0.314 29.390 29.700 0.008 0.000 0.745 100 E HN 0.637 nan 8.360 nan 0.000 0.458 101 A N 0.954 123.804 122.820 0.050 0.000 1.898 101 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 101 A C 2.384 180.052 177.584 0.140 0.000 1.181 101 A CA 1.804 53.898 52.037 0.095 0.000 0.620 101 A CB -0.797 18.245 19.000 0.069 0.000 0.819 101 A HN 0.161 nan 8.150 nan 0.000 0.442 102 T N 0.008 114.631 114.554 0.115 0.000 2.737 102 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 102 T C 1.807 176.598 174.700 0.152 0.000 1.038 102 T CA 1.457 63.627 62.100 0.118 0.000 1.144 102 T CB -0.224 68.699 68.868 0.092 0.000 0.866 102 T HN 0.456 nan 8.240 nan 0.000 0.434 103 E N 1.293 121.590 120.200 0.162 0.000 2.153 103 E HA -0.033 4.316 4.350 -0.000 0.000 0.194 103 E C 2.549 179.264 176.600 0.192 0.000 0.988 103 E CA 0.719 57.226 56.400 0.179 0.000 0.811 103 E CB -0.406 29.400 29.700 0.176 0.000 0.746 103 E HN 0.373 nan 8.360 nan 0.000 0.466 104 S N 0.932 116.773 115.700 0.235 0.000 2.383 104 S HA -0.104 4.365 4.470 -0.000 0.000 0.227 104 S C 2.075 176.823 174.600 0.245 0.000 1.026 104 S CA 0.992 59.349 58.200 0.261 0.000 0.981 104 S CB -0.120 63.332 63.200 0.421 0.000 0.818 104 S HN 0.406 nan 8.310 nan 0.000 0.472 105 A N 1.085 124.024 122.820 0.198 0.000 1.902 105 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 105 A C 2.327 180.001 177.584 0.151 0.000 1.181 105 A CA 1.438 53.563 52.037 0.146 0.000 0.623 105 A CB -0.847 18.219 19.000 0.111 0.000 0.818 105 A HN 0.343 nan 8.150 nan 0.000 0.443 106 V N 0.566 120.588 119.914 0.180 0.000 2.307 106 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 106 V C 2.647 178.868 176.094 0.210 0.000 1.045 106 V CA 2.180 64.604 62.300 0.205 0.000 1.024 106 V CB -0.588 31.409 31.823 0.291 0.000 0.651 106 V HN 0.560 nan 8.190 nan 0.000 0.449 107 K N 0.185 120.696 120.400 0.184 0.000 2.032 107 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 107 K C 2.178 178.933 176.600 0.259 0.000 1.048 107 K CA 1.767 58.141 56.287 0.146 0.000 0.927 107 K CB -0.590 31.855 32.500 -0.092 0.000 0.712 107 K HN 0.365 nan 8.250 nan 0.000 0.441 108 L N 1.128 122.528 121.223 0.294 0.000 2.046 108 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 108 L C 2.321 179.292 176.870 0.170 0.000 1.077 108 L CA 2.200 57.219 54.840 0.298 0.000 0.747 108 L CB -0.946 41.196 42.059 0.138 0.000 0.896 108 L HN 0.203 nan 8.230 nan 0.000 0.432 109 A N -0.365 122.531 122.820 0.128 0.000 1.902 109 A HA -0.258 4.061 4.320 -0.000 0.000 0.217 109 A C 2.439 180.116 177.584 0.155 0.000 1.181 109 A CA 1.859 53.944 52.037 0.079 0.000 0.623 109 A CB -0.615 18.443 19.000 0.097 0.000 0.818 109 A HN 0.491 nan 8.150 nan 0.000 0.443 110 R N -0.069 120.569 120.500 0.229 0.000 2.066 110 R HA -0.130 4.209 4.340 -0.000 0.000 0.232 110 R C 2.287 178.707 176.300 0.200 0.000 1.131 110 R CA 2.215 58.463 56.100 0.248 0.000 0.955 110 R CB -0.865 29.607 30.300 0.287 0.000 0.851 110 R HN 0.648 nan 8.270 nan 0.000 0.432 111 Q N -1.115 118.854 119.800 0.282 0.000 2.096 111 Q HA -0.242 4.097 4.340 -0.000 0.000 0.204 111 Q C 1.798 177.867 176.000 0.115 0.000 0.982 111 Q CA 1.882 57.819 55.803 0.223 0.000 0.850 111 Q CB -0.358 28.580 28.738 0.333 0.000 0.901 111 Q HN 0.538 nan 8.270 nan 0.000 0.422 112 Y N 0.457 120.727 120.300 -0.050 0.000 2.114 112 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 112 Y C 1.758 177.552 175.900 -0.177 0.000 1.165 112 Y CA 2.590 60.587 58.100 -0.172 0.000 1.148 112 Y CB -0.457 37.814 38.460 -0.314 0.000 0.972 112 Y HN 0.333 nan 8.280 nan 0.000 0.504 113 H N -1.893 117.202 119.070 0.043 0.000 2.395 113 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 113 H C 2.305 177.573 175.328 -0.100 0.000 1.070 113 H CA 1.392 57.399 56.048 -0.069 0.000 1.356 113 H CB -0.167 29.626 29.762 0.051 0.000 1.401 113 H HN 0.232 nan 8.280 nan 0.000 0.524 114 V N 0.760 120.694 119.914 0.033 0.000 2.343 114 V HA -0.212 3.907 4.120 -0.000 0.000 0.247 114 V C 2.194 178.252 176.094 -0.061 0.000 1.051 114 V CA 1.828 64.109 62.300 -0.032 0.000 1.036 114 V CB -0.248 31.524 31.823 -0.085 0.000 0.654 114 V HN 0.348 nan 8.190 nan 0.000 0.451 115 E N 0.310 120.460 120.200 -0.083 0.000 2.150 115 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 115 E C 2.208 178.727 176.600 -0.135 0.000 0.985 115 E CA 1.021 57.360 56.400 -0.100 0.000 0.814 115 E CB -0.165 29.469 29.700 -0.109 0.000 0.752 115 E HN 0.476 nan 8.360 nan 0.000 0.466 116 R N -1.299 119.088 120.500 -0.188 0.000 2.320 116 R HA 0.185 4.525 4.340 -0.000 0.000 0.211 116 R C 0.788 177.030 176.300 -0.095 0.000 0.931 116 R CA 0.545 56.537 56.100 -0.179 0.000 1.071 116 R CB 0.319 30.451 30.300 -0.281 0.000 1.025 116 R HN 0.212 nan 8.270 nan 0.000 0.495 117 G N 1.507 110.265 108.800 -0.070 0.000 2.160 117 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 117 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 117 G C -0.149 174.732 174.900 -0.031 0.000 1.022 117 G CA -0.055 45.017 45.100 -0.046 0.000 0.741 117 G HN 0.448 nan 8.290 nan 0.000 0.508 118 E N -0.000 120.190 120.200 -0.017 0.000 3.786 118 E HA 0.191 4.541 4.350 -0.000 0.000 0.215 118 E C -1.511 175.097 176.600 0.014 0.000 1.188 118 E CA -1.450 54.947 56.400 -0.004 0.000 1.248 118 E CB 1.246 30.945 29.700 -0.001 0.000 1.260 118 E HN 0.294 nan 8.360 nan 0.000 0.426 119 P HA -0.099 nan 4.420 nan 0.000 0.234 119 P C 1.204 178.521 177.300 0.029 0.000 1.167 119 P CA 0.638 63.737 63.100 -0.001 0.000 0.763 119 P CB 0.340 32.018 31.700 -0.036 0.000 0.835 120 G N 0.308 109.127 108.800 0.032 0.000 2.484 120 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.218 120 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.218 120 G C 0.981 175.967 174.900 0.144 0.000 1.130 120 G CA -0.169 44.980 45.100 0.081 0.000 0.784 120 G HN 0.273 nan 8.290 nan 0.000 0.543 121 R N 0.396 120.914 120.500 0.029 0.000 2.272 121 R HA 0.342 4.682 4.340 -0.000 0.000 0.334 121 R C 0.152 176.492 176.300 0.067 0.000 1.117 121 R CA -0.267 55.781 56.100 -0.086 0.000 0.966 121 R CB 0.082 30.137 30.300 -0.408 0.000 1.049 121 R HN 0.506 nan 8.270 nan 0.000 0.477 122 F N -0.523 119.375 119.950 -0.087 0.000 2.856 122 F HA 0.364 4.891 4.527 -0.000 0.000 0.338 122 F C -0.088 175.622 175.800 -0.150 0.000 1.005 122 F CA -0.816 57.136 58.000 -0.079 0.000 1.155 122 F CB 0.299 39.255 39.000 -0.074 0.000 1.010 122 F HN -0.062 nan 8.300 nan 0.000 0.587 123 K N 2.323 122.165 120.400 -0.929 0.000 2.326 123 K HA 0.461 4.781 4.320 -0.000 0.000 0.275 123 K C -0.762 175.557 176.600 -0.468 0.000 1.018 123 K CA -0.383 55.440 56.287 -0.774 0.000 0.962 123 K CB 2.085 34.131 32.500 -0.757 0.000 0.953 123 K HN 0.012 nan 8.250 nan 0.000 0.475 124 V N 5.303 124.864 119.914 -0.588 0.000 2.326 124 V HA 0.245 4.364 4.120 -0.000 0.000 0.281 124 V C -0.020 175.966 176.094 -0.181 0.000 1.015 124 V CA -0.734 61.325 62.300 -0.402 0.000 0.823 124 V CB 0.711 32.146 31.823 -0.647 0.000 1.009 124 V HN 0.626 nan 8.190 nan 0.000 0.436 125 I N 5.257 125.843 120.570 0.026 0.000 2.496 125 I HA 0.367 4.537 4.170 -0.000 0.000 0.285 125 I C 0.854 177.152 176.117 0.301 0.000 1.080 125 I CA 0.506 61.921 61.300 0.192 0.000 1.404 125 I CB 1.257 39.422 38.000 0.275 0.000 1.403 125 I HN 0.740 nan 8.210 nan 0.000 0.539 126 T N 3.678 118.409 114.554 0.295 0.000 2.907 126 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 126 T C -0.494 174.373 174.700 0.278 0.000 1.066 126 T CA -1.078 61.168 62.100 0.244 0.000 1.012 126 T CB 2.222 71.237 68.868 0.246 0.000 1.184 126 T HN 0.573 nan 8.240 nan 0.000 0.522 127 R N 0.654 121.292 120.500 0.230 0.000 2.637 127 R HA 0.641 4.981 4.340 -0.000 0.000 0.291 127 R C -0.863 175.524 176.300 0.144 0.000 0.963 127 R CA -0.766 55.472 56.100 0.231 0.000 0.901 127 R CB 1.672 32.155 30.300 0.306 0.000 1.160 127 R HN 0.622 nan 8.270 nan 0.000 0.457 128 V N 5.759 125.745 119.914 0.121 0.000 2.673 128 V HA 0.100 4.220 4.120 -0.000 0.000 0.303 128 V C -1.523 174.612 176.094 0.068 0.000 1.046 128 V CA -0.526 61.822 62.300 0.081 0.000 1.126 128 V CB 1.241 33.104 31.823 0.068 0.000 0.934 128 V HN 0.834 nan 8.190 nan 0.000 0.487 129 P HA 0.201 nan 4.420 nan 0.000 0.289 129 P C 0.270 177.585 177.300 0.025 0.000 1.599 129 P CA -0.214 62.904 63.100 0.030 0.000 1.239 129 P CB 0.653 32.356 31.700 0.005 0.000 1.581 149 E N 2.329 122.574 120.200 0.074 0.000 2.409 149 E HA -0.122 4.227 4.350 -0.000 0.000 0.198 149 E C 1.320 177.901 176.600 -0.032 0.000 1.024 149 E CA 0.918 57.330 56.400 0.020 0.000 0.861 149 E CB 0.096 29.795 29.700 -0.001 0.000 0.788 149 E HN 0.514 nan 8.360 nan 0.000 0.521 150 L N -0.727 120.455 121.223 -0.068 0.000 2.509 150 L HA 0.056 4.396 4.340 -0.000 0.000 0.222 150 L C 1.146 177.703 176.870 -0.522 0.000 1.123 150 L CA 0.502 55.160 54.840 -0.303 0.000 0.856 150 L CB -0.144 41.658 42.059 -0.428 0.000 0.985 150 L HN 0.020 nan 8.230 nan 0.000 0.456 151 Y N -2.245 118.069 120.300 0.024 0.000 2.453 151 Y HA 0.045 4.595 4.550 -0.000 0.000 0.247 151 Y C 2.515 178.445 175.900 0.051 0.000 1.124 151 Y CA 0.175 58.303 58.100 0.047 0.000 1.243 151 Y CB 0.099 38.588 38.460 0.048 0.000 1.213 151 Y HN -0.046 nan 8.280 nan 0.000 0.523 152 T N 1.011 115.634 114.554 0.115 0.000 2.929 152 T HA -0.068 4.282 4.350 -0.000 0.000 0.271 152 T C -0.807 173.917 174.700 0.040 0.000 1.085 152 T CA 1.089 63.235 62.100 0.077 0.000 1.125 152 T CB -0.751 68.135 68.868 0.030 0.000 0.874 152 T HN 0.109 nan 8.240 nan 0.000 0.494 153 P HA 0.059 nan 4.420 nan 0.000 0.220 153 P C 1.317 178.669 177.300 0.088 0.000 1.148 153 P CA 0.767 63.782 63.100 -0.142 0.000 0.803 153 P CB -0.193 31.293 31.700 -0.358 0.000 0.782 154 L N -2.151 119.197 121.223 0.208 0.000 2.456 154 L HA -0.049 4.290 4.340 -0.000 0.000 0.224 154 L C 2.134 179.283 176.870 0.466 0.000 1.148 154 L CA 1.008 56.057 54.840 0.347 0.000 0.825 154 L CB -0.709 41.578 42.059 0.380 0.000 0.937 154 L HN 0.051 nan 8.230 nan 0.000 0.450 155 M N -1.174 118.599 119.600 0.288 0.000 2.506 155 M HA 0.008 4.488 4.480 -0.000 0.000 0.260 155 M C 0.643 177.084 176.300 0.234 0.000 1.104 155 M CA 0.623 56.066 55.300 0.239 0.000 1.112 155 M CB 0.073 32.757 32.600 0.139 0.000 1.401 155 M HN 0.083 nan 8.290 nan 0.000 0.473 156 R N 0.729 121.369 120.500 0.233 0.000 2.438 156 R HA 0.095 4.434 4.340 -0.000 0.000 0.287 156 R C -1.785 174.704 176.300 0.316 0.000 1.077 156 R CA -1.436 54.789 56.100 0.208 0.000 1.034 156 R CB -0.032 30.350 30.300 0.137 0.000 0.993 156 R HN -0.111 nan 8.270 nan 0.000 0.459 157 P HA -0.168 nan 4.420 nan 0.000 0.216 157 P C 0.226 177.698 177.300 0.285 0.000 1.150 157 P CA 1.278 64.534 63.100 0.261 0.000 0.837 157 P CB 0.223 32.018 31.700 0.158 0.000 0.786 158 E N -0.713 119.629 120.200 0.238 0.000 2.472 158 E HA -0.038 4.311 4.350 -0.000 0.000 0.200 158 E C 1.696 178.405 176.600 0.181 0.000 1.046 158 E CA 0.564 57.088 56.400 0.206 0.000 0.871 158 E CB -0.332 29.496 29.700 0.214 0.000 0.806 158 E HN 0.219 nan 8.360 nan 0.000 0.533 159 A N 0.074 123.033 122.820 0.232 0.000 2.208 159 A HA -0.033 4.287 4.320 -0.000 0.000 0.209 159 A C 0.153 177.388 177.584 -0.582 0.000 1.161 159 A CA 0.051 52.026 52.037 -0.104 0.000 0.782 159 A CB -0.203 18.822 19.000 0.041 0.000 0.816 159 A HN 0.253 nan 8.150 nan 0.000 0.477 160 W N 1.231 122.576 121.300 0.074 0.000 1.817 160 W HA 0.333 4.993 4.660 -0.001 0.000 0.289 160 W C -2.465 174.083 176.519 0.048 0.000 0.841 160 W CA -2.411 54.969 57.345 0.060 0.000 2.216 160 W CB 0.301 29.804 29.460 0.072 0.000 2.396 160 W HN 0.096 nan 8.180 nan 0.000 0.421 161 P HA 0.140 nan 4.420 nan 0.000 0.272 161 P C -0.138 177.242 177.300 0.134 0.000 1.223 161 P CA 0.130 63.283 63.100 0.089 0.000 0.784 161 P CB 1.334 33.038 31.700 0.007 0.000 0.923 162 K N 1.664 122.133 120.400 0.116 0.000 2.292 162 K HA 0.427 4.747 4.320 -0.000 0.000 0.257 162 K C -0.321 176.341 176.600 0.104 0.000 0.940 162 K CA -1.019 55.346 56.287 0.130 0.000 0.811 162 K CB 1.838 34.408 32.500 0.117 0.000 1.120 162 K HN 0.383 nan 8.250 nan 0.000 0.428 163 L N 4.129 125.434 121.223 0.138 0.000 2.334 163 L HA 0.435 4.774 4.340 -0.000 0.000 0.277 163 L C -2.457 174.476 176.870 0.106 0.000 1.075 163 L CA -1.642 53.260 54.840 0.103 0.000 0.804 163 L CB 0.937 43.079 42.059 0.139 0.000 1.174 163 L HN 0.366 nan 8.230 nan 0.000 0.438 164 P HA 0.033 nan 4.420 nan 0.000 0.269 164 P C -1.351 176.001 177.300 0.087 0.000 1.215 164 P CA -0.256 62.885 63.100 0.068 0.000 0.780 164 P CB 0.340 32.068 31.700 0.045 0.000 0.898 165 K N 3.623 124.065 120.400 0.070 0.000 2.485 165 K HA 0.087 4.407 4.320 -0.000 0.000 0.277 165 K C -1.941 174.688 176.600 0.049 0.000 0.990 165 K CA -1.160 55.164 56.287 0.061 0.000 0.994 165 K CB -0.329 32.199 32.500 0.046 0.000 0.906 165 K HN 0.346 nan 8.250 nan 0.000 0.488 166 P HA 0.029 nan 4.420 nan 0.000 0.272 166 P C -1.111 176.170 177.300 -0.031 0.000 1.223 166 P CA -0.042 63.024 63.100 -0.056 0.000 0.784 166 P CB 0.678 32.195 31.700 -0.305 0.000 0.923 167 D N 2.564 122.956 120.400 -0.012 0.000 2.446 167 D HA 0.170 4.810 4.640 -0.000 0.000 0.251 167 D C -1.482 174.821 176.300 0.005 0.000 1.137 167 D CA -2.479 51.526 54.000 0.007 0.000 0.890 167 D CB 0.925 41.741 40.800 0.026 0.000 1.071 167 D HN 0.126 nan 8.370 nan 0.000 0.528 168 P HA -0.081 nan 4.420 nan 0.000 0.228 168 P C 0.816 178.133 177.300 0.028 0.000 1.151 168 P CA 0.427 63.538 63.100 0.018 0.000 0.770 168 P CB 0.352 32.066 31.700 0.022 0.000 0.786 169 A N -0.690 122.144 122.820 0.024 0.000 2.218 169 A HA 0.047 4.367 4.320 -0.000 0.000 0.209 169 A C 1.474 179.074 177.584 0.027 0.000 1.168 169 A CA -0.076 51.975 52.037 0.023 0.000 0.804 169 A CB -0.595 18.416 19.000 0.019 0.000 0.834 169 A HN 0.114 nan 8.150 nan 0.000 0.482 170 R N 0.693 121.213 120.500 0.034 0.000 2.643 170 R HA 0.193 4.533 4.340 -0.000 0.000 0.272 170 R C -0.256 176.074 176.300 0.050 0.000 0.995 170 R CA -0.794 55.328 56.100 0.037 0.000 1.032 170 R CB 0.420 30.743 30.300 0.038 0.000 1.126 170 R HN 0.340 nan 8.270 nan 0.000 0.505 171 N N 1.559 120.285 118.700 0.043 0.000 2.411 171 N HA -0.083 4.657 4.740 -0.000 0.000 0.265 171 N C 0.802 176.357 175.510 0.075 0.000 1.266 171 N CA 0.835 53.915 53.050 0.050 0.000 0.889 171 N CB 1.182 39.687 38.487 0.031 0.000 1.069 171 N HN 0.811 nan 8.380 nan 0.000 0.476 172 G N 3.806 112.673 108.800 0.111 0.000 2.513 172 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 172 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 172 G C 1.406 176.368 174.900 0.103 0.000 1.160 172 G CA 1.314 46.521 45.100 0.179 0.000 0.767 172 G HN 0.773 nan 8.290 nan 0.000 0.571 173 A N 0.758 123.603 122.820 0.040 0.000 1.877 173 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 173 A C 2.197 179.741 177.584 -0.065 0.000 1.186 173 A CA 1.966 53.980 52.037 -0.038 0.000 0.620 173 A CB -0.432 18.558 19.000 -0.018 0.000 0.822 173 A HN 0.493 nan 8.150 nan 0.000 0.443 174 E N -0.627 119.559 120.200 -0.023 0.000 2.110 174 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 174 E C 1.676 178.256 176.600 -0.033 0.000 0.988 174 E CA 1.173 57.556 56.400 -0.029 0.000 0.804 174 E CB -0.196 29.500 29.700 -0.007 0.000 0.745 174 E HN 0.659 nan 8.360 nan 0.000 0.458 175 D N 0.449 120.855 120.400 0.010 0.000 2.117 175 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 175 D C 1.861 178.137 176.300 -0.040 0.000 0.982 175 D CA 1.334 55.367 54.000 0.054 0.000 0.828 175 D CB -0.041 40.868 40.800 0.182 0.000 0.967 175 D HN 0.136 nan 8.370 nan 0.000 0.464 176 A N 0.132 122.803 122.820 -0.248 0.000 2.067 176 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 176 A C 2.011 179.361 177.584 -0.391 0.000 1.158 176 A CA 1.365 53.020 52.037 -0.636 0.000 0.661 176 A CB -0.575 17.889 19.000 -0.893 0.000 0.801 176 A HN 0.157 nan 8.150 nan 0.000 0.452 177 E N 0.388 120.446 120.200 -0.237 0.000 2.331 177 E HA -0.095 4.255 4.350 -0.000 0.000 0.199 177 E C 1.855 178.354 176.600 -0.168 0.000 1.008 177 E CA 0.996 57.287 56.400 -0.181 0.000 0.843 177 E CB -0.765 28.866 29.700 -0.116 0.000 0.761 177 E HN 0.485 nan 8.360 nan 0.000 0.507 178 G N 0.273 108.978 108.800 -0.159 0.000 2.448 178 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.219 178 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.219 178 G C 1.415 176.210 174.900 -0.175 0.000 1.127 178 G CA 0.821 45.845 45.100 -0.126 0.000 0.766 178 G HN 0.366 nan 8.290 nan 0.000 0.552 179 L N 0.534 121.591 121.223 -0.276 0.000 2.093 179 L HA 0.131 4.471 4.340 -0.000 0.000 0.208 179 L C 2.645 179.361 176.870 -0.257 0.000 1.085 179 L CA 1.840 56.469 54.840 -0.353 0.000 0.755 179 L CB -0.535 41.182 42.059 -0.570 0.000 0.904 179 L HN 0.225 nan 8.230 nan 0.000 0.435 180 R N -0.623 119.747 120.500 -0.217 0.000 2.081 180 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 180 R C 2.144 178.370 176.300 -0.123 0.000 1.131 180 R CA 1.303 57.307 56.100 -0.160 0.000 0.960 180 R CB -0.329 29.889 30.300 -0.136 0.000 0.856 180 R HN 0.485 nan 8.270 nan 0.000 0.436 181 A N 1.205 123.957 122.820 -0.113 0.000 1.908 181 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 181 A C 2.018 179.555 177.584 -0.079 0.000 1.181 181 A CA 1.253 53.240 52.037 -0.083 0.000 0.627 181 A CB -0.584 18.374 19.000 -0.070 0.000 0.818 181 A HN 0.377 nan 8.150 nan 0.000 0.445 182 L N -0.316 120.850 121.223 -0.094 0.000 2.056 182 L HA -0.055 4.284 4.340 -0.000 0.000 0.207 182 L C 2.272 179.089 176.870 -0.087 0.000 1.078 182 L CA 1.571 56.362 54.840 -0.081 0.000 0.749 182 L CB -0.620 41.387 42.059 -0.088 0.000 0.901 182 L HN 0.398 nan 8.230 nan 0.000 0.433 183 L N -0.629 120.527 121.223 -0.111 0.000 2.042 183 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 183 L C 2.525 179.344 176.870 -0.085 0.000 1.076 183 L CA 1.599 56.375 54.840 -0.107 0.000 0.749 183 L CB -0.526 41.460 42.059 -0.121 0.000 0.893 183 L HN 0.360 nan 8.230 nan 0.000 0.432 184 E N -0.415 119.738 120.200 -0.077 0.000 2.077 184 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 184 E C 2.261 178.831 176.600 -0.050 0.000 0.989 184 E CA 1.121 57.485 56.400 -0.060 0.000 0.800 184 E CB -0.108 29.559 29.700 -0.055 0.000 0.746 184 E HN 0.342 nan 8.360 nan 0.000 0.452 185 R N 0.858 121.329 120.500 -0.049 0.000 2.092 185 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 185 R C 1.844 178.121 176.300 -0.038 0.000 1.119 185 R CA 1.191 57.269 56.100 -0.037 0.000 0.970 185 R CB 0.175 30.456 30.300 -0.031 0.000 0.864 185 R HN 0.028 nan 8.270 nan 0.000 0.440 186 E N -0.235 119.932 120.200 -0.054 0.000 2.158 186 E HA 0.060 4.410 4.350 -0.000 0.000 0.191 186 E C 0.392 176.950 176.600 -0.070 0.000 0.982 186 E CA 1.030 57.391 56.400 -0.067 0.000 0.823 186 E CB 0.269 29.910 29.700 -0.099 0.000 0.766 186 E HN 0.536 nan 8.360 nan 0.000 0.468 187 G N 2.193 110.952 108.800 -0.068 0.000 3.251 187 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.680 187 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.680 187 G C -2.219 172.629 174.900 -0.086 0.000 1.129 187 G CA -0.342 44.721 45.100 -0.063 0.000 0.994 187 G HN -0.059 nan 8.290 nan 0.000 0.450 188 P HA -0.152 nan 4.420 nan 0.000 0.217 188 P C 1.816 179.052 177.300 -0.107 0.000 1.148 188 P CA 1.694 64.737 63.100 -0.094 0.000 0.834 188 P CB 0.263 31.918 31.700 -0.075 0.000 0.783 189 E N -0.314 119.834 120.200 -0.086 0.000 2.478 189 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 189 E C 1.024 177.567 176.600 -0.095 0.000 1.046 189 E CA 1.472 57.821 56.400 -0.085 0.000 0.870 189 E CB -1.328 28.342 29.700 -0.051 0.000 0.818 189 E HN 0.323 nan 8.360 nan 0.000 0.527 190 T N -2.129 112.352 114.554 -0.121 0.000 3.054 190 T HA 0.299 4.648 4.350 -0.000 0.000 0.255 190 T C 0.532 175.022 174.700 -0.351 0.000 1.035 190 T CA -0.353 61.651 62.100 -0.159 0.000 0.941 190 T CB 0.178 68.965 68.868 -0.135 0.000 1.026 190 T HN -0.055 nan 8.240 nan 0.000 0.533 191 V N 1.670 121.418 119.914 -0.278 0.000 2.427 191 V HA 0.754 4.874 4.120 -0.000 0.000 0.286 191 V C 1.243 177.189 176.094 -0.246 0.000 1.034 191 V CA -0.325 61.805 62.300 -0.282 0.000 0.893 191 V CB 1.091 32.799 31.823 -0.192 0.000 0.982 191 V HN 0.424 nan 8.190 nan 0.000 0.452 192 A N 3.605 126.325 122.820 -0.168 0.000 1.973 192 A HA 0.808 5.128 4.320 -0.000 0.000 0.210 192 A C 0.922 178.639 177.584 0.222 0.000 1.200 192 A CA 0.928 52.991 52.037 0.042 0.000 0.707 192 A CB 0.172 19.277 19.000 0.175 0.000 0.862 192 A HN 1.300 nan 8.150 nan 0.000 0.461 193 A N -2.010 120.866 122.820 0.094 0.000 2.564 193 A HA 0.589 4.909 4.320 -0.000 0.000 0.291 193 A C -1.863 175.837 177.584 0.193 0.000 1.102 193 A CA -0.380 51.751 52.037 0.158 0.000 0.660 193 A CB 0.352 19.437 19.000 0.141 0.000 1.283 193 A HN 0.985 nan 8.150 nan 0.000 0.430 194 F N 0.761 120.772 119.950 0.101 0.000 2.536 194 F HA 0.761 5.287 4.527 -0.000 0.000 0.322 194 F C -0.710 175.229 175.800 0.232 0.000 1.144 194 F CA -0.861 57.208 58.000 0.116 0.000 0.924 194 F CB 1.783 40.815 39.000 0.055 0.000 1.181 194 F HN 0.709 nan 8.300 nan 0.000 0.438 195 M N 6.273 125.617 119.600 -0.426 0.000 2.393 195 M HA 0.862 5.342 4.480 -0.000 0.000 0.316 195 M C -1.796 174.172 176.300 -0.554 0.000 1.087 195 M CA -0.307 54.779 55.300 -0.355 0.000 0.937 195 M CB 1.684 34.246 32.600 -0.064 0.000 1.668 195 M HN 0.855 nan 8.290 nan 0.000 0.438 196 A N 3.534 126.126 122.820 -0.379 0.000 2.604 196 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 196 A C -1.640 175.893 177.584 -0.085 0.000 1.067 196 A CA -0.803 51.116 52.037 -0.196 0.000 0.683 196 A CB 1.516 20.439 19.000 -0.129 0.000 1.281 196 A HN 0.815 nan 8.150 nan 0.000 0.407 197 E N 1.894 122.079 120.200 -0.026 0.000 2.259 197 E HA 0.261 4.611 4.350 -0.000 0.000 0.281 197 E C -1.783 174.796 176.600 -0.034 0.000 1.037 197 E CA -1.622 54.757 56.400 -0.035 0.000 0.854 197 E CB 1.154 30.853 29.700 -0.001 0.000 1.051 197 E HN 0.341 nan 8.360 nan 0.000 0.409 198 P HA -0.150 nan 4.420 nan 0.000 0.215 198 P C -0.128 177.180 177.300 0.014 0.000 1.157 198 P CA 0.973 63.887 63.100 -0.310 0.000 0.874 198 P CB 0.320 31.811 31.700 -0.348 0.000 0.790 199 V N -0.061 119.898 119.914 0.074 0.000 2.448 199 V HA 0.162 4.282 4.120 -0.000 0.000 0.295 199 V C 0.137 176.270 176.094 0.065 0.000 1.025 199 V CA -0.985 61.395 62.300 0.132 0.000 0.859 199 V CB 2.079 33.998 31.823 0.160 0.000 0.988 199 V HN -0.276 nan 8.190 nan 0.000 0.431 200 V N 4.561 124.509 119.914 0.057 0.000 2.740 200 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 200 V C 1.166 177.261 176.094 0.002 0.000 1.054 200 V CA 0.969 63.286 62.300 0.029 0.000 1.106 200 V CB 0.961 32.803 31.823 0.032 0.000 0.957 200 V HN 1.008 nan 8.190 nan 0.000 0.486 201 G N 2.232 111.016 108.800 -0.026 0.000 3.182 201 G HA2 0.418 4.378 3.960 -0.000 0.000 0.167 201 G HA3 0.418 4.378 3.960 -0.000 0.000 0.167 201 G C 1.324 176.142 174.900 -0.136 0.000 1.537 201 G CA 0.213 45.261 45.100 -0.087 0.000 1.046 201 G HN 0.910 nan 8.290 nan 0.000 0.580 202 A N -0.297 122.387 122.820 -0.227 0.000 1.958 202 A HA -0.107 4.213 4.320 -0.000 0.000 0.221 202 A C 2.631 180.153 177.584 -0.103 0.000 1.178 202 A CA 2.763 54.659 52.037 -0.234 0.000 0.642 202 A CB -0.996 17.902 19.000 -0.169 0.000 0.816 202 A HN 0.470 nan 8.150 nan 0.000 0.453 203 S N -0.891 114.769 115.700 -0.066 0.000 2.359 203 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 203 S C 0.891 175.436 174.600 -0.092 0.000 1.039 203 S CA 1.553 59.718 58.200 -0.059 0.000 1.042 203 S CB -0.155 63.030 63.200 -0.026 0.000 0.915 203 S HN 0.696 nan 8.310 nan 0.000 0.439 204 D N 0.086 120.467 120.400 -0.032 0.000 2.381 204 D HA 0.421 5.061 4.640 -0.000 0.000 0.245 204 D C -0.732 175.641 176.300 0.122 0.000 1.297 204 D CA -0.274 53.754 54.000 0.045 0.000 0.931 204 D CB 0.746 41.578 40.800 0.054 0.000 1.334 204 D HN 0.258 nan 8.370 nan 0.000 0.535 205 A N 2.292 125.226 122.820 0.190 0.000 2.498 205 A HA 0.259 4.579 4.320 -0.000 0.000 0.287 205 A C 1.547 179.158 177.584 0.045 0.000 1.000 205 A CA 1.157 53.246 52.037 0.085 0.000 1.036 205 A CB -0.764 18.297 19.000 0.100 0.000 0.842 205 A HN 1.472 nan 8.150 nan 0.000 0.474 206 A N 1.183 124.012 122.820 0.016 0.000 2.816 206 A HA -0.164 4.156 4.320 -0.000 0.000 0.270 206 A C 0.465 178.078 177.584 0.049 0.000 1.413 206 A CA 1.020 53.073 52.037 0.027 0.000 0.866 206 A CB -2.404 16.606 19.000 0.016 0.000 1.032 206 A HN 2.170 nan 8.150 nan 0.000 0.642 207 L N -0.189 121.067 121.223 0.055 0.000 2.513 207 L HA 0.522 4.861 4.340 -0.000 0.000 0.272 207 L C 0.427 177.342 176.870 0.075 0.000 1.187 207 L CA 1.063 55.937 54.840 0.056 0.000 0.895 207 L CB 0.615 42.705 42.059 0.051 0.000 1.147 207 L HN 1.194 nan 8.230 nan 0.000 0.483 208 A N 6.370 129.246 122.820 0.093 0.000 2.393 208 A HA 0.835 5.155 4.320 -0.000 0.000 0.306 208 A C -2.676 174.985 177.584 0.129 0.000 1.050 208 A CA -1.481 50.666 52.037 0.183 0.000 0.724 208 A CB 0.908 20.072 19.000 0.274 0.000 1.248 208 A HN 0.632 nan 8.150 nan 0.000 0.424 209 P HA 0.415 nan 4.420 nan 0.000 0.272 209 P C 0.087 177.510 177.300 0.205 0.000 1.240 209 P CA -0.041 62.948 63.100 -0.186 0.000 0.791 209 P CB 0.726 31.796 31.700 -1.050 0.000 0.978 210 A N 2.483 125.389 122.820 0.143 0.000 2.313 210 A HA 0.464 4.783 4.320 -0.000 0.000 0.261 210 A C -2.099 175.710 177.584 0.375 0.000 1.090 210 A CA -1.316 50.844 52.037 0.204 0.000 0.807 210 A CB -1.189 17.884 19.000 0.122 0.000 1.055 210 A HN 0.429 nan 8.150 nan 0.000 0.492 211 P HA 0.180 nan 4.420 nan 0.000 0.267 211 P C 0.869 178.348 177.300 0.297 0.000 1.200 211 P CA 1.537 64.757 63.100 0.200 0.000 0.772 211 P CB 0.647 32.358 31.700 0.019 0.000 0.855 212 G N 1.305 110.339 108.800 0.390 0.000 2.241 212 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.244 212 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.244 212 G C 0.820 175.850 174.900 0.216 0.000 0.998 212 G CA 0.444 45.699 45.100 0.260 0.000 0.621 212 G HN 0.543 nan 8.290 nan 0.000 0.519 213 Y N 0.670 121.024 120.300 0.090 0.000 2.089 213 Y HA -0.030 4.520 4.550 -0.001 0.000 0.282 213 Y C 2.700 178.368 175.900 -0.387 0.000 1.139 213 Y CA 2.689 60.648 58.100 -0.235 0.000 1.123 213 Y CB -0.266 37.930 38.460 -0.440 0.000 0.980 213 Y HN 0.288 nan 8.280 nan 0.000 0.493 214 Y N 0.458 120.736 120.300 -0.037 0.000 2.439 214 Y HA -0.107 4.443 4.550 -0.000 0.000 0.292 214 Y C 2.155 178.041 175.900 -0.023 0.000 1.130 214 Y CA 1.272 59.311 58.100 -0.103 0.000 1.254 214 Y CB -0.509 37.836 38.460 -0.191 0.000 1.000 214 Y HN 0.231 nan 8.280 nan 0.000 0.554 215 E N -0.241 120.066 120.200 0.179 0.000 2.072 215 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 215 E C 2.220 178.824 176.600 0.006 0.000 0.985 215 E CA 1.114 57.593 56.400 0.132 0.000 0.801 215 E CB -0.102 29.689 29.700 0.151 0.000 0.750 215 E HN 0.091 nan 8.360 nan 0.000 0.452 216 R N 0.470 120.923 120.500 -0.078 0.000 2.075 216 R HA -0.045 4.294 4.340 -0.000 0.000 0.232 216 R C 1.963 178.111 176.300 -0.254 0.000 1.126 216 R CA 0.982 56.986 56.100 -0.161 0.000 0.963 216 R CB -0.735 29.442 30.300 -0.206 0.000 0.858 216 R HN 0.090 nan 8.270 nan 0.000 0.435 217 V N 1.073 120.769 119.914 -0.364 0.000 2.287 217 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 217 V C 2.466 178.319 176.094 -0.402 0.000 1.053 217 V CA 2.217 64.235 62.300 -0.470 0.000 1.027 217 V CB -0.603 30.920 31.823 -0.501 0.000 0.646 217 V HN 0.318 nan 8.190 nan 0.000 0.447 218 R N 0.856 121.205 120.500 -0.252 0.000 2.083 218 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 218 R C 1.871 178.134 176.300 -0.062 0.000 1.137 218 R CA 2.230 58.271 56.100 -0.097 0.000 0.951 218 R CB -0.863 29.502 30.300 0.109 0.000 0.851 218 R HN 0.524 nan 8.270 nan 0.000 0.434 219 D N 0.010 120.370 120.400 -0.067 0.000 2.117 219 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 219 D C 1.870 178.120 176.300 -0.083 0.000 0.982 219 D CA 1.149 55.118 54.000 -0.052 0.000 0.828 219 D CB -0.122 40.650 40.800 -0.047 0.000 0.967 219 D HN 0.199 nan 8.370 nan 0.000 0.464 220 I N 0.875 121.359 120.570 -0.144 0.000 2.226 220 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 220 I C 2.481 178.518 176.117 -0.133 0.000 1.100 220 I CA 0.638 61.843 61.300 -0.158 0.000 1.374 220 I CB -1.120 36.737 38.000 -0.238 0.000 1.057 220 I HN 0.103 nan 8.210 nan 0.000 0.413 221 C N 0.755 119.969 119.300 -0.144 0.000 2.429 221 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 221 C C 2.482 177.470 174.990 -0.003 0.000 1.262 221 C CA 0.564 59.541 59.018 -0.067 0.000 1.733 221 C CB -0.900 26.814 27.740 -0.043 0.000 2.010 221 C HN 0.499 nan 8.230 nan 0.000 0.483 222 D N 0.715 121.116 120.400 0.002 0.000 2.097 222 D HA -0.119 4.520 4.640 -0.000 0.000 0.195 222 D C 2.104 178.413 176.300 0.014 0.000 0.989 222 D CA 1.225 55.242 54.000 0.028 0.000 0.827 222 D CB -0.541 40.277 40.800 0.030 0.000 0.966 222 D HN 0.604 nan 8.370 nan 0.000 0.456 223 E N 0.422 120.615 120.200 -0.013 0.000 2.118 223 E HA -0.121 4.228 4.350 -0.000 0.000 0.195 223 E C 1.918 178.507 176.600 -0.019 0.000 0.992 223 E CA 1.052 57.441 56.400 -0.018 0.000 0.804 223 E CB -0.037 29.640 29.700 -0.037 0.000 0.741 223 E HN 0.193 nan 8.360 nan 0.000 0.458 224 A N 0.191 122.994 122.820 -0.028 0.000 2.123 224 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 224 A C 1.802 179.384 177.584 -0.003 0.000 1.152 224 A CA 0.882 52.900 52.037 -0.032 0.000 0.728 224 A CB -0.235 18.730 19.000 -0.058 0.000 0.814 224 A HN 0.339 nan 8.150 nan 0.000 0.464 225 G N -0.199 108.622 108.800 0.036 0.000 2.147 225 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 225 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 225 G C 0.199 175.196 174.900 0.162 0.000 1.005 225 G CA 0.408 45.566 45.100 0.096 0.000 0.713 225 G HN 1.339 nan 8.290 nan 0.000 0.515 226 I N -2.036 118.607 120.570 0.121 0.000 2.676 226 I HA 0.726 4.895 4.170 -0.000 0.000 0.309 226 I C 0.490 176.727 176.117 0.200 0.000 0.990 226 I CA -1.720 59.685 61.300 0.175 0.000 1.168 226 I CB 1.054 39.108 38.000 0.090 0.000 1.343 226 I HN -0.147 nan 8.210 nan 0.000 0.482 227 I N 4.353 125.057 120.570 0.223 0.000 2.416 227 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 227 I C -0.383 175.877 176.117 0.239 0.000 1.051 227 I CA 0.112 61.483 61.300 0.118 0.000 1.375 227 I CB 0.658 38.654 38.000 -0.006 0.000 1.407 227 I HN 0.503 nan 8.210 nan 0.000 0.516 228 F N 8.801 128.782 119.950 0.052 0.000 2.371 228 F HA 0.479 5.006 4.527 -0.000 0.000 0.363 228 F C -0.156 175.658 175.800 0.024 0.000 1.122 228 F CA -1.487 56.567 58.000 0.089 0.000 1.129 228 F CB 0.323 39.395 39.000 0.119 0.000 1.173 228 F HN 0.216 nan 8.300 nan 0.000 0.489 229 I N 6.212 126.823 120.570 0.068 0.000 2.339 229 I HA 0.458 4.627 4.170 -0.000 0.000 0.290 229 I C -0.107 175.804 176.117 -0.342 0.000 0.994 229 I CA -0.837 60.367 61.300 -0.159 0.000 1.191 229 I CB 1.444 39.421 38.000 -0.038 0.000 1.343 229 I HN 0.708 nan 8.210 nan 0.000 0.458 230 A N 4.778 127.328 122.820 -0.450 0.000 2.249 230 A HA 0.291 4.611 4.320 -0.000 0.000 0.314 230 A C -0.419 177.041 177.584 -0.207 0.000 1.290 230 A CA -0.484 51.303 52.037 -0.417 0.000 0.893 230 A CB 0.360 19.050 19.000 -0.516 0.000 1.165 230 A HN 0.682 nan 8.150 nan 0.000 0.530 231 D N 2.767 123.080 120.400 -0.145 0.000 2.422 231 D HA 0.111 4.751 4.640 -0.000 0.000 0.227 231 D C 0.213 176.477 176.300 -0.060 0.000 1.190 231 D CA 0.156 54.115 54.000 -0.069 0.000 0.905 231 D CB 0.521 41.298 40.800 -0.038 0.000 1.034 231 D HN 0.553 nan 8.370 nan 0.000 0.507 232 E N 2.838 123.011 120.200 -0.046 0.000 2.496 232 E HA 0.046 4.396 4.350 -0.000 0.000 0.200 232 E C 1.636 178.243 176.600 0.011 0.000 1.016 232 E CA -0.100 56.284 56.400 -0.028 0.000 0.962 232 E CB 0.968 30.642 29.700 -0.043 0.000 1.071 232 E HN 0.331 nan 8.360 nan 0.000 0.457 233 V N 0.899 120.826 119.914 0.021 0.000 2.392 233 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 233 V C 2.181 178.302 176.094 0.046 0.000 1.059 233 V CA 1.888 64.213 62.300 0.042 0.000 1.051 233 V CB -0.291 31.559 31.823 0.045 0.000 0.658 233 V HN 0.352 nan 8.190 nan 0.000 0.455 234 M N -0.410 119.213 119.600 0.037 0.000 2.653 234 M HA 0.003 4.483 4.480 -0.000 0.000 0.259 234 M C 2.014 178.335 176.300 0.036 0.000 1.244 234 M CA 1.097 56.423 55.300 0.043 0.000 1.163 234 M CB 0.337 32.958 32.600 0.034 0.000 1.309 234 M HN 0.434 nan 8.290 nan 0.000 0.509 235 S N -0.334 115.382 115.700 0.026 0.000 2.528 235 S HA 0.242 4.711 4.470 -0.000 0.000 0.219 235 S C 1.041 175.660 174.600 0.032 0.000 0.985 235 S CA 0.033 58.252 58.200 0.030 0.000 0.914 235 S CB -0.461 62.756 63.200 0.028 0.000 0.776 235 S HN 0.431 nan 8.310 nan 0.000 0.526 236 G N 0.526 109.345 108.800 0.031 0.000 2.543 236 G HA2 0.491 4.450 3.960 -0.000 0.000 0.290 236 G HA3 0.491 4.450 3.960 -0.000 0.000 0.290 236 G C 0.223 175.168 174.900 0.075 0.000 1.310 236 G CA -0.766 44.356 45.100 0.038 0.000 1.025 236 G HN 0.249 nan 8.290 nan 0.000 0.502 237 M N -0.871 118.802 119.600 0.122 0.000 2.360 237 M HA -0.203 4.277 4.480 -0.000 0.000 0.202 237 M C 1.440 177.866 176.300 0.209 0.000 0.390 237 M CA 1.191 56.627 55.300 0.228 0.000 0.470 237 M CB -2.314 30.371 32.600 0.142 0.000 1.637 237 M HN 2.265 nan 8.290 nan 0.000 0.885 238 G N -0.885 108.018 108.800 0.172 0.000 2.225 238 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.254 238 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.254 238 G C 0.743 175.686 174.900 0.073 0.000 0.988 238 G CA 1.073 46.253 45.100 0.132 0.000 0.625 238 G HN 0.561 nan 8.290 nan 0.000 0.527 239 R N 0.455 120.993 120.500 0.064 0.000 2.119 239 R HA -0.053 4.287 4.340 -0.000 0.000 0.246 239 R C 2.024 178.346 176.300 0.037 0.000 1.146 239 R CA 2.687 58.814 56.100 0.046 0.000 0.962 239 R CB -0.907 29.420 30.300 0.045 0.000 0.863 239 R HN 0.600 nan 8.270 nan 0.000 0.442 240 C N -0.435 118.889 119.300 0.039 0.000 2.525 240 C HA 0.481 4.940 4.460 -0.000 0.000 0.313 240 C C 1.050 176.051 174.990 0.017 0.000 1.311 240 C CA 0.037 59.075 59.018 0.035 0.000 1.725 240 C CB -0.680 27.095 27.740 0.058 0.000 1.926 240 C HN 0.790 nan 8.230 nan 0.000 0.595 241 G N 1.718 110.528 108.800 0.016 0.000 2.136 241 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.242 241 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.242 241 G C 0.058 174.952 174.900 -0.009 0.000 0.989 241 G CA 0.560 45.662 45.100 0.003 0.000 0.682 241 G HN 1.016 nan 8.290 nan 0.000 0.522 242 S N -2.331 113.364 115.700 -0.009 0.000 2.547 242 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 242 S C -1.762 172.791 174.600 -0.078 0.000 1.150 242 S CA -0.520 57.650 58.200 -0.050 0.000 0.850 242 S CB 2.323 65.494 63.200 -0.048 0.000 1.118 242 S HN -0.106 nan 8.310 nan 0.000 0.461 243 P HA 0.006 nan 4.420 nan 0.000 0.216 243 P C -0.249 176.943 177.300 -0.180 0.000 1.157 243 P CA 1.295 64.148 63.100 -0.411 0.000 0.880 243 P CB 0.059 31.236 31.700 -0.871 0.000 0.791 244 L N -2.665 118.461 121.223 -0.162 0.000 2.386 244 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 244 L C 1.195 178.042 176.870 -0.038 0.000 0.993 244 L CA -0.876 53.907 54.840 -0.095 0.000 0.819 244 L CB 1.900 43.875 42.059 -0.140 0.000 1.294 244 L HN -0.201 nan 8.230 nan 0.000 0.414 245 A N 2.482 125.306 122.820 0.007 0.000 1.972 245 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 245 A C 1.861 179.566 177.584 0.202 0.000 1.169 245 A CA 1.370 53.467 52.037 0.101 0.000 0.635 245 A CB -0.325 18.747 19.000 0.120 0.000 0.810 245 A HN 0.707 nan 8.150 nan 0.000 0.446 246 L N 0.105 121.354 121.223 0.043 0.000 2.127 246 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 246 L C 2.367 179.369 176.870 0.220 0.000 1.089 246 L CA 2.378 57.225 54.840 0.012 0.000 0.757 246 L CB -0.594 41.346 42.059 -0.198 0.000 0.899 246 L HN 0.283 nan 8.230 nan 0.000 0.434 247 S N -0.646 115.119 115.700 0.108 0.000 2.469 247 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 247 S C 1.870 176.547 174.600 0.129 0.000 0.998 247 S CA 0.834 59.085 58.200 0.085 0.000 0.957 247 S CB -0.373 62.811 63.200 -0.026 0.000 0.764 247 S HN 0.496 nan 8.310 nan 0.000 0.514 248 R N -0.073 120.528 120.500 0.168 0.000 2.241 248 R HA -0.030 4.310 4.340 -0.000 0.000 0.224 248 R C 0.164 176.438 176.300 -0.043 0.000 1.101 248 R CA 0.572 56.665 56.100 -0.012 0.000 0.995 248 R CB 0.024 30.213 30.300 -0.185 0.000 0.870 248 R HN 0.441 nan 8.270 nan 0.000 0.463 249 W N 1.758 123.118 121.300 0.101 0.000 2.120 249 W HA 0.137 4.796 4.660 -0.000 0.000 0.371 249 W C 0.024 176.608 176.519 0.108 0.000 0.865 249 W CA -0.318 57.116 57.345 0.149 0.000 1.529 249 W CB 0.332 29.969 29.460 0.294 0.000 1.623 249 W HN 0.102 nan 8.180 nan 0.000 0.325 250 S N 0.639 116.448 115.700 0.183 0.000 3.533 250 S HA -0.226 4.244 4.470 -0.000 0.000 0.347 250 S C 1.245 175.912 174.600 0.112 0.000 1.101 250 S CA 1.311 59.586 58.200 0.125 0.000 1.009 250 S CB -1.512 61.771 63.200 0.138 0.000 0.916 250 S HN 1.024 nan 8.310 nan 0.000 0.496 251 G N -1.128 107.734 108.800 0.104 0.000 2.168 251 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.257 251 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.257 251 G C 0.201 175.147 174.900 0.078 0.000 0.997 251 G CA 0.038 45.175 45.100 0.062 0.000 0.708 251 G HN 1.188 nan 8.290 nan 0.000 0.520 252 V N 1.397 121.400 119.914 0.149 0.000 2.788 252 V HA 0.441 4.561 4.120 -0.000 0.000 0.307 252 V C 1.204 177.351 176.094 0.088 0.000 1.069 252 V CA 1.110 63.507 62.300 0.162 0.000 1.173 252 V CB 1.036 33.019 31.823 0.268 0.000 0.925 252 V HN 0.912 nan 8.190 nan 0.000 0.492 253 T N 4.283 118.884 114.554 0.078 0.000 2.887 253 T HA 0.696 5.046 4.350 -0.000 0.000 0.288 253 T C -2.580 172.138 174.700 0.030 0.000 1.021 253 T CA -1.773 60.316 62.100 -0.017 0.000 1.000 253 T CB 2.442 71.275 68.868 -0.058 0.000 1.034 253 T HN 0.541 nan 8.240 nan 0.000 0.467 254 P HA 0.477 nan 4.420 nan 0.000 0.287 254 P C -0.305 177.036 177.300 0.068 0.000 1.296 254 P CA -0.437 62.517 63.100 -0.244 0.000 0.811 254 P CB 1.310 32.625 31.700 -0.641 0.000 1.211 255 D N -0.797 119.627 120.400 0.039 0.000 2.271 255 D HA 0.187 4.827 4.640 -0.000 0.000 0.206 255 D C 0.542 176.864 176.300 0.035 0.000 0.967 255 D CA 1.143 55.170 54.000 0.045 0.000 0.867 255 D CB 0.483 41.257 40.800 -0.043 0.000 0.960 255 D HN 0.311 nan 8.370 nan 0.000 0.509 256 I N 0.461 121.033 120.570 0.003 0.000 2.571 256 I HA 0.379 4.548 4.170 -0.000 0.000 0.289 256 I C -1.110 174.988 176.117 -0.033 0.000 1.115 256 I CA -0.879 60.432 61.300 0.019 0.000 1.045 256 I CB 2.454 40.438 38.000 -0.026 0.000 1.238 256 I HN -0.252 nan 8.210 nan 0.000 0.424 257 A N 6.359 129.195 122.820 0.025 0.000 2.287 257 A HA 0.790 5.110 4.320 -0.000 0.000 0.317 257 A C -0.726 176.873 177.584 0.025 0.000 1.220 257 A CA -0.522 51.490 52.037 -0.042 0.000 0.835 257 A CB 1.136 20.093 19.000 -0.072 0.000 1.180 257 A HN 0.414 nan 8.150 nan 0.000 0.500 258 V N 4.069 123.986 119.914 0.005 0.000 2.407 258 V HA 0.462 4.582 4.120 -0.000 0.000 0.278 258 V C -0.035 176.093 176.094 0.058 0.000 1.037 258 V CA -0.148 62.184 62.300 0.053 0.000 0.900 258 V CB 0.755 32.604 31.823 0.042 0.000 0.983 258 V HN 0.759 nan 8.190 nan 0.000 0.459 259 L N 3.992 125.277 121.223 0.105 0.000 2.323 259 L HA 1.052 5.392 4.340 -0.000 0.000 0.265 259 L C 0.501 177.437 176.870 0.109 0.000 1.012 259 L CA -0.348 54.556 54.840 0.108 0.000 0.820 259 L CB 2.213 44.361 42.059 0.148 0.000 1.334 259 L HN 0.834 nan 8.230 nan 0.000 0.427 260 G N -0.540 108.315 108.800 0.092 0.000 2.428 260 G HA2 0.316 4.276 3.960 -0.000 0.000 0.304 260 G HA3 0.316 4.276 3.960 -0.000 0.000 0.304 260 G C -0.641 174.300 174.900 0.067 0.000 1.303 260 G CA -0.238 44.908 45.100 0.078 0.000 0.825 260 G HN 0.521 nan 8.290 nan 0.000 0.484 261 K N -1.531 118.901 120.400 0.054 0.000 10.611 261 K HA -0.323 3.997 4.320 -0.000 0.000 0.501 261 K C 1.998 178.625 176.600 0.046 0.000 0.444 261 K CA 2.508 58.822 56.287 0.046 0.000 1.786 261 K CB -1.548 30.985 32.500 0.055 0.000 0.803 261 K HN 1.132 nan 8.250 nan 0.000 1.210 262 G N 0.865 109.696 108.800 0.052 0.000 2.679 262 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.212 262 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.212 262 G C 1.211 176.145 174.900 0.057 0.000 1.137 262 G CA 0.638 45.768 45.100 0.050 0.000 0.787 262 G HN 0.179 nan 8.290 nan 0.000 0.534 263 L N 1.207 122.473 121.223 0.072 0.000 1.989 263 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 263 L C 2.660 179.569 176.870 0.065 0.000 1.071 263 L CA 2.296 57.190 54.840 0.091 0.000 0.749 263 L CB -0.340 41.799 42.059 0.134 0.000 0.890 263 L HN 0.210 nan 8.230 nan 0.000 0.431 264 A N -1.876 120.978 122.820 0.056 0.000 2.465 264 A HA 0.584 4.904 4.320 -0.000 0.000 0.255 264 A C 1.229 178.892 177.584 0.132 0.000 1.274 264 A CA 0.420 52.489 52.037 0.054 0.000 0.920 264 A CB -0.615 18.406 19.000 0.036 0.000 1.033 264 A HN 0.755 nan 8.150 nan 0.000 0.516 265 A N -1.209 121.668 122.820 0.095 0.000 2.596 265 A HA 0.129 4.449 4.320 -0.000 0.000 0.300 265 A C 1.950 179.553 177.584 0.032 0.000 1.495 265 A CA 1.513 53.605 52.037 0.091 0.000 0.769 265 A CB -1.872 17.204 19.000 0.127 0.000 1.047 265 A HN 2.473 nan 8.150 nan 0.000 0.436 266 G N -3.438 105.339 108.800 -0.038 0.000 2.176 266 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.253 266 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.253 266 G C 0.534 175.242 174.900 -0.320 0.000 0.979 266 G CA 1.041 46.033 45.100 -0.180 0.000 0.641 266 G HN 1.197 nan 8.290 nan 0.000 0.530 267 Y N 0.756 121.046 120.300 -0.017 0.000 2.490 267 Y HA 0.564 5.114 4.550 0.000 0.000 0.285 267 Y C 1.617 177.506 175.900 -0.018 0.000 1.117 267 Y CA 1.357 59.447 58.100 -0.016 0.000 1.262 267 Y CB 0.527 38.968 38.460 -0.031 0.000 1.043 267 Y HN 0.819 nan 8.280 nan 0.000 0.553 268 A N -0.700 122.164 122.820 0.073 0.000 2.605 268 A HA 0.581 4.901 4.320 -0.000 0.000 0.294 268 A C -2.966 174.628 177.584 0.016 0.000 1.062 268 A CA -1.502 50.559 52.037 0.042 0.000 0.682 268 A CB 0.585 19.620 19.000 0.058 0.000 1.278 268 A HN -0.168 nan 8.150 nan 0.000 0.410 269 P HA 0.482 nan 4.420 nan 0.000 0.273 269 P C -1.118 176.187 177.300 0.008 0.000 1.428 269 P CA 0.180 63.271 63.100 -0.016 0.000 0.995 269 P CB 0.281 31.946 31.700 -0.059 0.000 1.286 270 L N 3.189 124.425 121.223 0.021 0.000 2.422 270 L HA 0.872 5.211 4.340 -0.000 0.000 0.264 270 L C -1.031 175.877 176.870 0.063 0.000 0.984 270 L CA -0.604 54.261 54.840 0.041 0.000 0.819 270 L CB 1.971 44.056 42.059 0.043 0.000 1.330 270 L HN 0.400 nan 8.230 nan 0.000 0.410 271 A N 2.137 124.999 122.820 0.069 0.000 2.493 271 A HA 1.018 5.337 4.320 -0.000 0.000 0.300 271 A C -0.495 177.141 177.584 0.086 0.000 1.152 271 A CA -0.052 52.038 52.037 0.088 0.000 0.643 271 A CB 1.021 20.038 19.000 0.029 0.000 1.316 271 A HN 1.694 nan 8.150 nan 0.000 0.469 272 G N -1.937 106.926 108.800 0.105 0.000 2.327 272 G HA2 0.643 4.602 3.960 -0.000 0.000 0.291 272 G HA3 0.643 4.602 3.960 -0.000 0.000 0.291 272 G C -1.857 173.151 174.900 0.181 0.000 1.290 272 G CA 0.223 45.342 45.100 0.031 0.000 0.857 272 G HN 2.206 nan 8.290 nan 0.000 0.520 273 L N -2.330 119.005 121.223 0.186 0.000 2.415 273 L HA 0.952 5.291 4.340 -0.000 0.000 0.256 273 L C -1.032 176.012 176.870 0.289 0.000 1.010 273 L CA -1.120 53.856 54.840 0.227 0.000 0.826 273 L CB 1.865 44.034 42.059 0.184 0.000 1.405 273 L HN 0.588 nan 8.230 nan 0.000 0.410 274 L N 2.042 123.418 121.223 0.256 0.000 2.325 274 L HA 0.925 5.265 4.340 -0.000 0.000 0.281 274 L C -0.144 176.908 176.870 0.304 0.000 1.004 274 L CA -0.681 54.342 54.840 0.306 0.000 0.823 274 L CB 1.774 43.992 42.059 0.264 0.000 1.236 274 L HN 0.989 nan 8.230 nan 0.000 0.415 275 A N 2.818 125.719 122.820 0.135 0.000 2.337 275 A HA 0.852 5.172 4.320 -0.000 0.000 0.329 275 A C 0.036 177.256 177.584 -0.606 0.000 1.146 275 A CA -0.515 51.452 52.037 -0.117 0.000 0.800 275 A CB 1.398 20.300 19.000 -0.164 0.000 1.220 275 A HN 0.757 nan 8.150 nan 0.000 0.472 276 A N 3.664 125.862 122.820 -1.038 0.000 2.531 276 A HA 0.473 4.793 4.320 -0.000 0.000 0.236 276 A C -0.919 176.269 177.584 -0.661 0.000 1.062 276 A CA -0.637 50.487 52.037 -1.522 0.000 0.760 276 A CB -0.231 18.258 19.000 -0.851 0.000 0.995 276 A HN 0.654 nan 8.150 nan 0.000 0.501 277 P HA -0.259 nan 4.420 nan 0.000 0.217 277 P C 1.279 178.543 177.300 -0.059 0.000 1.148 277 P CA 1.759 64.771 63.100 -0.147 0.000 0.828 277 P CB 0.192 31.845 31.700 -0.080 0.000 0.783 278 Q N 0.578 120.314 119.800 -0.107 0.000 2.096 278 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 278 Q C 2.015 178.036 176.000 0.034 0.000 0.982 278 Q CA 1.901 57.692 55.803 -0.020 0.000 0.850 278 Q CB -1.197 27.529 28.738 -0.020 0.000 0.901 278 Q HN 0.040 nan 8.270 nan 0.000 0.422 279 V N 0.139 119.999 119.914 -0.089 0.000 2.379 279 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 279 V C 2.041 178.129 176.094 -0.010 0.000 1.044 279 V CA 1.840 64.091 62.300 -0.080 0.000 1.036 279 V CB -0.930 30.701 31.823 -0.319 0.000 0.664 279 V HN 0.500 nan 8.190 nan 0.000 0.453 280 Y N 1.650 121.840 120.300 -0.184 0.000 2.097 280 Y HA -0.260 4.289 4.550 -0.000 0.000 0.282 280 Y C 2.506 178.340 175.900 -0.109 0.000 1.152 280 Y CA 2.147 60.136 58.100 -0.185 0.000 1.136 280 Y CB -0.369 37.985 38.460 -0.178 0.000 0.975 280 Y HN 0.368 nan 8.280 nan 0.000 0.498 281 E N -0.933 119.184 120.200 -0.139 0.000 2.118 281 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 281 E C 2.063 178.558 176.600 -0.174 0.000 0.992 281 E CA 1.780 58.058 56.400 -0.203 0.000 0.804 281 E CB -0.227 29.444 29.700 -0.049 0.000 0.741 281 E HN 0.465 nan 8.360 nan 0.000 0.458 282 T N 0.552 115.057 114.554 -0.082 0.000 2.777 282 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 282 T C 2.002 176.641 174.700 -0.102 0.000 1.040 282 T CA 1.107 63.163 62.100 -0.072 0.000 1.141 282 T CB -0.168 68.693 68.868 -0.011 0.000 0.868 282 T HN 0.077 nan 8.240 nan 0.000 0.444 283 V N 1.175 121.021 119.914 -0.113 0.000 2.548 283 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 283 V C 2.068 178.063 176.094 -0.164 0.000 1.055 283 V CA 1.251 63.488 62.300 -0.105 0.000 1.065 283 V CB -0.487 31.273 31.823 -0.104 0.000 0.681 283 V HN 0.357 nan 8.190 nan 0.000 0.462 284 M N 0.569 119.982 119.600 -0.312 0.000 2.254 284 M HA 0.082 4.561 4.480 -0.000 0.000 0.265 284 M C 2.096 178.293 176.300 -0.172 0.000 1.066 284 M CA 1.576 56.691 55.300 -0.309 0.000 1.123 284 M CB -1.651 30.624 32.600 -0.541 0.000 1.388 284 M HN 0.507 nan 8.290 nan 0.000 0.425 285 G N -0.254 108.456 108.800 -0.149 0.000 3.026 285 G HA2 0.298 4.257 3.960 -0.000 0.000 0.208 285 G HA3 0.298 4.257 3.960 -0.000 0.000 0.208 285 G C 0.676 175.536 174.900 -0.067 0.000 1.169 285 G CA 0.381 45.424 45.100 -0.095 0.000 0.788 285 G HN 0.528 nan 8.290 nan 0.000 0.533 291 M N 0.362 119.620 119.600 -0.571 0.000 2.618 291 M HA 0.350 4.830 4.480 -0.000 0.000 0.281 291 M C -0.091 176.016 176.300 -0.322 0.000 1.267 291 M CA -0.710 54.256 55.300 -0.556 0.000 0.845 291 M CB 2.266 34.590 32.600 -0.460 0.000 1.732 291 M HN 0.121 nan 8.290 nan 0.000 0.461 292 H N 0.187 119.260 119.070 0.005 0.000 2.373 292 H HA 0.236 4.791 4.556 -0.000 0.000 0.290 292 H C 1.396 176.775 175.328 0.085 0.000 0.989 292 H CA 1.023 57.107 56.048 0.060 0.000 1.250 292 H CB -0.195 29.563 29.762 -0.007 0.000 1.477 292 H HN 0.868 nan 8.280 nan 0.000 0.551 293 G N 1.024 109.851 108.800 0.045 0.000 2.474 293 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.157 293 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.157 293 G C -0.570 174.388 174.900 0.097 0.000 1.720 293 G CA 0.273 45.358 45.100 -0.025 0.000 0.931 293 G HN 0.312 nan 8.290 nan 0.000 0.376 294 F N 0.067 120.086 119.950 0.115 0.000 2.555 294 F HA -0.196 4.331 4.527 -0.000 0.000 0.252 294 F C 1.929 177.726 175.800 -0.005 0.000 1.036 294 F CA 0.361 58.391 58.000 0.050 0.000 0.963 294 F CB -2.307 36.691 39.000 -0.002 0.000 1.076 294 F HN 0.274 nan 8.300 nan 0.000 0.832 295 T N -0.781 113.912 114.554 0.231 0.000 2.665 295 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 295 T C 1.375 176.069 174.700 -0.009 0.000 1.035 295 T CA 2.132 64.321 62.100 0.150 0.000 1.151 295 T CB -0.255 68.689 68.868 0.127 0.000 0.862 295 T HN 0.516 nan 8.240 nan 0.000 0.438 296 Y N 1.044 121.423 120.300 0.132 0.000 2.493 296 Y HA 0.558 5.107 4.550 -0.001 0.000 0.275 296 Y C 1.136 177.025 175.900 -0.018 0.000 1.183 296 Y CA -1.055 57.099 58.100 0.089 0.000 1.258 296 Y CB -0.287 38.172 38.460 -0.000 0.000 1.108 296 Y HN 0.123 nan 8.280 nan 0.000 0.521 297 A N 0.182 122.987 122.820 -0.026 0.000 2.492 297 A HA 0.420 4.740 4.320 -0.000 0.000 0.254 297 A C 1.565 179.001 177.584 -0.246 0.000 1.091 297 A CA 0.761 52.648 52.037 -0.250 0.000 0.768 297 A CB -0.747 18.002 19.000 -0.418 0.000 1.028 297 A HN 0.891 nan 8.150 nan 0.000 0.498 298 G N 1.507 110.180 108.800 -0.212 0.000 2.159 298 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.256 298 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.256 298 G C 0.283 175.162 174.900 -0.035 0.000 0.977 298 G CA 0.617 45.636 45.100 -0.136 0.000 0.652 298 G HN 1.852 nan 8.290 nan 0.000 0.531 299 H N 1.904 120.943 119.070 -0.051 0.000 3.231 299 H HA 0.196 4.752 4.556 -0.000 0.000 0.280 299 H C -0.503 174.834 175.328 0.016 0.000 0.901 299 H CA -0.078 55.998 56.048 0.046 0.000 1.414 299 H CB 0.579 30.504 29.762 0.270 0.000 1.433 299 H HN 0.181 nan 8.280 nan 0.000 0.549 300 P HA -0.248 nan 4.420 nan 0.000 0.216 300 P C 1.517 178.592 177.300 -0.375 0.000 1.157 300 P CA 1.656 64.587 63.100 -0.280 0.000 0.880 300 P CB 0.216 31.804 31.700 -0.186 0.000 0.791 301 V N -0.685 118.838 119.914 -0.652 0.000 2.358 301 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 301 V C 2.327 178.276 176.094 -0.242 0.000 1.047 301 V CA 2.304 64.381 62.300 -0.371 0.000 1.035 301 V CB -1.426 30.267 31.823 -0.217 0.000 0.658 301 V HN 0.152 nan 8.190 nan 0.000 0.452 302 S N -0.087 115.472 115.700 -0.234 0.000 2.383 302 S HA -0.126 4.343 4.470 -0.000 0.000 0.227 302 S C 2.032 176.550 174.600 -0.138 0.000 1.026 302 S CA 1.316 59.503 58.200 -0.021 0.000 0.981 302 S CB -0.120 63.185 63.200 0.176 0.000 0.818 302 S HN 0.388 nan 8.310 nan 0.000 0.472 303 V N 2.114 121.915 119.914 -0.188 0.000 2.343 303 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 303 V C 2.645 178.502 176.094 -0.395 0.000 1.051 303 V CA 1.620 63.737 62.300 -0.306 0.000 1.036 303 V CB -1.197 30.531 31.823 -0.159 0.000 0.654 303 V HN 0.533 nan 8.190 nan 0.000 0.451 304 A N 0.053 122.724 122.820 -0.248 0.000 1.940 304 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 304 A C 2.425 179.885 177.584 -0.207 0.000 1.176 304 A CA 2.116 54.034 52.037 -0.199 0.000 0.631 304 A CB -0.714 18.202 19.000 -0.141 0.000 0.814 304 A HN 0.571 nan 8.150 nan 0.000 0.446 305 A N -0.488 122.222 122.820 -0.184 0.000 1.902 305 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 305 A C 2.428 179.893 177.584 -0.198 0.000 1.181 305 A CA 1.891 53.843 52.037 -0.141 0.000 0.623 305 A CB -1.396 17.581 19.000 -0.039 0.000 0.818 305 A HN 0.728 nan 8.150 nan 0.000 0.443 306 G N -0.181 108.425 108.800 -0.325 0.000 2.418 306 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 306 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 306 G C 1.491 176.174 174.900 -0.362 0.000 1.158 306 G CA 1.239 46.085 45.100 -0.422 0.000 0.771 306 G HN 0.484 nan 8.290 nan 0.000 0.545 307 L N 0.985 121.926 121.223 -0.469 0.000 2.046 307 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 307 L C 2.884 179.705 176.870 -0.082 0.000 1.077 307 L CA 2.493 57.280 54.840 -0.087 0.000 0.747 307 L CB -0.763 41.257 42.059 -0.064 0.000 0.896 307 L HN 0.233 nan 8.230 nan 0.000 0.432 308 S N -1.562 114.055 115.700 -0.139 0.000 2.368 308 S HA -0.134 4.335 4.470 -0.000 0.000 0.224 308 S C 1.983 176.488 174.600 -0.158 0.000 1.029 308 S CA 1.371 59.486 58.200 -0.142 0.000 0.988 308 S CB -0.363 62.737 63.200 -0.167 0.000 0.838 308 S HN 0.301 nan 8.310 nan 0.000 0.462 309 V N 2.004 121.818 119.914 -0.167 0.000 2.343 309 V HA -0.127 3.992 4.120 -0.000 0.000 0.247 309 V C 2.427 178.429 176.094 -0.152 0.000 1.051 309 V CA 1.807 64.014 62.300 -0.155 0.000 1.036 309 V CB -0.689 31.075 31.823 -0.098 0.000 0.654 309 V HN 0.501 nan 8.190 nan 0.000 0.451 310 L N 0.337 121.479 121.223 -0.136 0.000 2.046 310 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 310 L C 2.116 178.850 176.870 -0.226 0.000 1.077 310 L CA 2.023 56.728 54.840 -0.226 0.000 0.747 310 L CB -0.963 41.016 42.059 -0.134 0.000 0.896 310 L HN 0.317 nan 8.230 nan 0.000 0.432 311 D N -0.235 120.079 120.400 -0.143 0.000 2.123 311 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 311 D C 2.312 178.540 176.300 -0.120 0.000 0.992 311 D CA 1.978 55.908 54.000 -0.117 0.000 0.833 311 D CB -0.109 40.638 40.800 -0.089 0.000 0.954 311 D HN 0.455 nan 8.370 nan 0.000 0.455 312 I N 0.415 120.908 120.570 -0.129 0.000 2.252 312 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 312 I C 2.477 178.527 176.117 -0.112 0.000 1.102 312 I CA 0.476 61.709 61.300 -0.111 0.000 1.385 312 I CB -0.143 37.787 38.000 -0.118 0.000 1.064 312 I HN -0.129 nan 8.210 nan 0.000 0.414 313 V N 0.922 120.739 119.914 -0.161 0.000 2.332 313 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 313 V C 2.340 178.352 176.094 -0.138 0.000 1.055 313 V CA 1.985 64.183 62.300 -0.170 0.000 1.038 313 V CB -0.658 30.978 31.823 -0.311 0.000 0.651 313 V HN 0.459 nan 8.190 nan 0.000 0.450 314 E N -0.486 119.606 120.200 -0.179 0.000 2.051 314 E HA -0.156 4.193 4.350 -0.000 0.000 0.189 314 E C 2.496 179.078 176.600 -0.030 0.000 0.979 314 E CA 0.615 56.972 56.400 -0.072 0.000 0.803 314 E CB -0.212 29.439 29.700 -0.081 0.000 0.761 314 E HN 0.337 nan 8.360 nan 0.000 0.451 315 R N 1.396 121.866 120.500 -0.049 0.000 2.081 315 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 315 R C 1.317 177.605 176.300 -0.021 0.000 1.131 315 R CA 1.348 57.429 56.100 -0.031 0.000 0.960 315 R CB 0.036 30.312 30.300 -0.040 0.000 0.856 315 R HN 0.224 nan 8.270 nan 0.000 0.436 316 E N 0.226 120.411 120.200 -0.026 0.000 2.489 316 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 316 E C -0.395 176.205 176.600 -0.001 0.000 1.057 316 E CA 0.010 56.401 56.400 -0.014 0.000 0.866 316 E CB 0.063 29.752 29.700 -0.019 0.000 0.916 316 E HN 0.211 nan 8.360 nan 0.000 0.500 317 D N 0.773 121.177 120.400 0.007 0.000 2.697 317 D HA -0.211 4.428 4.640 -0.000 0.000 0.235 317 D C 0.448 176.767 176.300 0.030 0.000 1.167 317 D CA 0.269 54.287 54.000 0.030 0.000 0.656 317 D CB -1.123 39.692 40.800 0.025 0.000 1.025 317 D HN 0.281 nan 8.370 nan 0.000 0.419 318 L N -0.290 120.949 121.223 0.026 0.000 2.275 318 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 318 L C 2.387 179.285 176.870 0.047 0.000 1.119 318 L CA 1.492 56.347 54.840 0.024 0.000 0.790 318 L CB -0.456 41.607 42.059 0.007 0.000 0.919 318 L HN 0.238 nan 8.230 nan 0.000 0.443 319 T N -0.329 114.275 114.554 0.083 0.000 2.777 319 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 319 T C 1.862 176.587 174.700 0.041 0.000 1.040 319 T CA 1.352 63.503 62.100 0.085 0.000 1.141 319 T CB -0.309 68.632 68.868 0.121 0.000 0.868 319 T HN 0.547 nan 8.240 nan 0.000 0.444 320 G N 0.919 109.741 108.800 0.036 0.000 2.408 320 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 320 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 320 G C 1.803 176.711 174.900 0.013 0.000 1.150 320 G CA 0.794 45.904 45.100 0.017 0.000 0.776 320 G HN 0.556 nan 8.290 nan 0.000 0.542 321 A N 1.223 124.052 122.820 0.016 0.000 1.933 321 A HA 0.300 4.620 4.320 -0.000 0.000 0.218 321 A C 2.784 180.374 177.584 0.010 0.000 1.175 321 A CA 2.064 54.107 52.037 0.011 0.000 0.628 321 A CB -0.696 18.310 19.000 0.011 0.000 0.814 321 A HN 0.726 nan 8.150 nan 0.000 0.444 322 A N -0.110 122.719 122.820 0.014 0.000 1.972 322 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 322 A C 2.106 179.694 177.584 0.006 0.000 1.169 322 A CA 1.778 53.823 52.037 0.013 0.000 0.635 322 A CB -0.370 18.643 19.000 0.022 0.000 0.810 322 A HN 0.564 nan 8.150 nan 0.000 0.446 323 K N -0.689 119.713 120.400 0.003 0.000 2.025 323 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 323 K C 2.163 178.760 176.600 -0.005 0.000 1.049 323 K CA 1.448 57.732 56.287 -0.006 0.000 0.933 323 K CB -0.146 32.348 32.500 -0.011 0.000 0.714 323 K HN 0.697 nan 8.250 nan 0.000 0.438 324 E N 0.906 121.105 120.200 -0.002 0.000 2.028 324 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 324 E C 2.123 178.723 176.600 0.001 0.000 0.988 324 E CA 0.938 57.338 56.400 -0.001 0.000 0.799 324 E CB 0.241 29.942 29.700 0.002 0.000 0.755 324 E HN 0.077 nan 8.360 nan 0.000 0.447 325 R N -0.118 120.384 120.500 0.003 0.000 2.115 325 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 325 R C 2.363 178.664 176.300 0.002 0.000 1.111 325 R CA 1.071 57.173 56.100 0.003 0.000 0.976 325 R CB -0.862 29.439 30.300 0.002 0.000 0.870 325 R HN 0.332 nan 8.270 nan 0.000 0.445 326 G N 0.878 109.679 108.800 0.001 0.000 2.402 326 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 326 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 326 G C 1.612 176.512 174.900 -0.001 0.000 1.162 326 G CA 0.876 45.977 45.100 0.001 0.000 0.777 326 G HN 0.404 nan 8.290 nan 0.000 0.539 327 A N 0.343 123.160 122.820 -0.003 0.000 1.902 327 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 327 A C 2.292 179.875 177.584 -0.001 0.000 1.181 327 A CA 2.055 54.089 52.037 -0.005 0.000 0.623 327 A CB -0.556 18.439 19.000 -0.007 0.000 0.818 327 A HN 0.472 nan 8.150 nan 0.000 0.443 328 Q N -0.945 118.856 119.800 0.002 0.000 2.050 328 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 328 Q C 1.999 178.003 176.000 0.007 0.000 0.980 328 Q CA 1.797 57.603 55.803 0.005 0.000 0.840 328 Q CB -0.254 28.488 28.738 0.007 0.000 0.898 328 Q HN 0.483 nan 8.270 nan 0.000 0.424 329 L N 0.747 121.974 121.223 0.007 0.000 2.046 329 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 329 L C 2.219 179.094 176.870 0.008 0.000 1.077 329 L CA 1.427 56.272 54.840 0.008 0.000 0.747 329 L CB -0.903 41.160 42.059 0.006 0.000 0.896 329 L HN 0.427 nan 8.230 nan 0.000 0.432 330 L N -0.027 121.200 121.223 0.005 0.000 2.046 330 L HA -0.099 4.240 4.340 -0.000 0.000 0.208 330 L C 2.494 179.368 176.870 0.007 0.000 1.077 330 L CA 2.152 56.994 54.840 0.004 0.000 0.747 330 L CB -1.190 40.869 42.059 0.000 0.000 0.896 330 L HN 0.262 nan 8.230 nan 0.000 0.432 331 A N -0.495 122.329 122.820 0.006 0.000 1.940 331 A HA -0.091 4.228 4.320 -0.000 0.000 0.219 331 A C 2.340 179.933 177.584 0.014 0.000 1.176 331 A CA 1.609 53.651 52.037 0.008 0.000 0.631 331 A CB -1.592 17.411 19.000 0.006 0.000 0.814 331 A HN 0.552 nan 8.150 nan 0.000 0.446 332 G N -0.292 108.518 108.800 0.016 0.000 2.402 332 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 332 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 332 G C 1.534 176.453 174.900 0.032 0.000 1.162 332 G CA 0.983 46.098 45.100 0.024 0.000 0.777 332 G HN 0.442 nan 8.290 nan 0.000 0.539 333 L N -0.205 121.033 121.223 0.026 0.000 2.093 333 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 333 L C 3.106 179.997 176.870 0.035 0.000 1.085 333 L CA 1.003 55.860 54.840 0.030 0.000 0.755 333 L CB -0.418 41.650 42.059 0.015 0.000 0.904 333 L HN 0.267 nan 8.230 nan 0.000 0.435 334 Q N -0.163 119.651 119.800 0.024 0.000 2.119 334 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 334 Q C 2.442 178.458 176.000 0.027 0.000 0.972 334 Q CA 1.422 57.237 55.803 0.021 0.000 0.847 334 Q CB -0.228 28.517 28.738 0.012 0.000 0.903 334 Q HN 0.550 nan 8.270 nan 0.000 0.433 335 A N 0.800 123.637 122.820 0.029 0.000 1.969 335 A HA -0.113 4.206 4.320 -0.000 0.000 0.218 335 A C 1.993 179.603 177.584 0.042 0.000 1.169 335 A CA 0.888 52.942 52.037 0.027 0.000 0.635 335 A CB -0.500 18.515 19.000 0.025 0.000 0.810 335 A HN 0.287 nan 8.150 nan 0.000 0.445 336 L N -0.617 120.652 121.223 0.077 0.000 2.275 336 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 336 L C 2.707 179.673 176.870 0.160 0.000 1.119 336 L CA 0.941 55.872 54.840 0.153 0.000 0.790 336 L CB -0.493 41.688 42.059 0.204 0.000 0.919 336 L HN 0.511 nan 8.230 nan 0.000 0.443 337 Q N -0.142 119.717 119.800 0.097 0.000 2.181 337 Q HA -0.215 4.124 4.340 -0.000 0.000 0.205 337 Q C 2.464 178.481 176.000 0.029 0.000 0.980 337 Q CA 1.524 57.375 55.803 0.079 0.000 0.862 337 Q CB -0.255 28.510 28.738 0.045 0.000 0.905 337 Q HN 0.584 nan 8.270 nan 0.000 0.429 338 A N 1.475 124.292 122.820 -0.005 0.000 1.908 338 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 338 A C 2.060 179.574 177.584 -0.116 0.000 1.181 338 A CA 1.654 53.663 52.037 -0.045 0.000 0.627 338 A CB -0.465 18.510 19.000 -0.042 0.000 0.818 338 A HN 0.245 nan 8.150 nan 0.000 0.445 339 R N -2.211 118.167 120.500 -0.202 0.000 2.127 339 R HA 0.047 4.387 4.340 -0.000 0.000 0.217 339 R C -0.661 175.200 176.300 -0.731 0.000 1.074 339 R CA 0.627 56.426 56.100 -0.501 0.000 0.991 339 R CB 0.029 29.926 30.300 -0.672 0.000 0.895 339 R HN 0.384 nan 8.270 nan 0.000 0.450 340 F N 1.385 121.335 119.950 -0.001 0.000 2.550 340 F HA 0.382 4.909 4.527 -0.001 0.000 0.348 340 F C -1.791 174.007 175.800 -0.003 0.000 1.219 340 F CA -2.708 55.292 58.000 -0.001 0.000 1.203 340 F CB 2.009 41.009 39.000 -0.001 0.000 1.436 340 F HN -0.045 nan 8.300 nan 0.000 0.541 341 P HA -0.131 nan 4.420 nan 0.000 0.239 341 P C 0.698 178.040 177.300 0.071 0.000 1.184 341 P CA 0.887 64.025 63.100 0.063 0.000 0.760 341 P CB 0.342 32.057 31.700 0.025 0.000 0.884 342 Q N -0.734 119.129 119.800 0.105 0.000 2.436 342 Q HA 0.093 4.433 4.340 -0.000 0.000 0.209 342 Q C 1.139 177.169 176.000 0.050 0.000 0.965 342 Q CA 0.653 56.500 55.803 0.073 0.000 0.910 342 Q CB -0.632 28.156 28.738 0.082 0.000 0.980 342 Q HN 0.355 nan 8.270 nan 0.000 0.491 343 M N 0.843 120.482 119.600 0.064 0.000 2.821 343 M HA 0.078 4.558 4.480 -0.000 0.000 0.305 343 M C 0.503 176.810 176.300 0.011 0.000 1.466 343 M CA -0.047 55.271 55.300 0.030 0.000 1.526 343 M CB 0.483 33.115 32.600 0.053 0.000 1.321 343 M HN 0.192 nan 8.290 nan 0.000 0.492 344 M N 0.272 119.867 119.600 -0.009 0.000 2.149 344 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 344 M C 0.750 177.036 176.300 -0.023 0.000 1.064 344 M CA 1.687 56.979 55.300 -0.013 0.000 1.102 344 M CB -0.590 31.998 32.600 -0.021 0.000 1.369 344 M HN 0.630 nan 8.290 nan 0.000 0.408 345 Q N -0.522 119.251 119.800 -0.046 0.000 2.386 345 Q HA 0.499 4.839 4.340 -0.000 0.000 0.274 345 Q C -2.067 173.902 176.000 -0.053 0.000 1.011 345 Q CA -0.403 55.373 55.803 -0.044 0.000 0.867 345 Q CB 2.813 31.520 28.738 -0.052 0.000 1.409 345 Q HN -0.001 nan 8.270 nan 0.000 0.395 346 V N 3.457 123.353 119.914 -0.030 0.000 2.540 346 V HA 0.695 4.815 4.120 -0.000 0.000 0.302 346 V C -0.675 175.409 176.094 -0.017 0.000 1.035 346 V CA -0.528 61.758 62.300 -0.024 0.000 0.873 346 V CB 1.899 33.718 31.823 -0.007 0.000 0.992 346 V HN 0.755 nan 8.190 nan 0.000 0.428 347 R N 2.291 122.781 120.500 -0.016 0.000 2.740 347 R HA 0.863 5.202 4.340 -0.000 0.000 0.273 347 R C -0.497 175.804 176.300 0.001 0.000 0.998 347 R CA -0.905 55.192 56.100 -0.004 0.000 0.900 347 R CB 2.615 32.916 30.300 0.001 0.000 1.223 347 R HN 0.931 nan 8.270 nan 0.000 0.466 348 G N 0.239 109.043 108.800 0.007 0.000 2.733 348 G HA2 0.437 4.397 3.960 -0.000 0.000 0.297 348 G HA3 0.437 4.397 3.960 -0.000 0.000 0.297 348 G C -1.382 173.523 174.900 0.009 0.000 1.452 348 G CA -0.348 44.757 45.100 0.008 0.000 0.940 348 G HN 0.318 nan 8.290 nan 0.000 0.547 349 T N 1.346 115.910 114.554 0.017 0.000 2.985 349 T HA 0.652 5.002 4.350 -0.000 0.000 0.315 349 T C 0.923 175.630 174.700 0.013 0.000 1.001 349 T CA 0.825 62.933 62.100 0.013 0.000 1.016 349 T CB 0.783 69.680 68.868 0.049 0.000 0.993 349 T HN 2.223 nan 8.240 nan 0.000 0.454 350 G N 2.723 111.523 108.800 -0.001 0.000 2.574 350 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.286 350 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.286 350 G C 0.202 175.107 174.900 0.009 0.000 1.212 350 G CA -0.099 45.004 45.100 0.004 0.000 0.979 350 G HN 0.709 nan 8.290 nan 0.000 0.557 351 L N 0.206 121.437 121.223 0.014 0.000 2.928 351 L HA 0.476 4.816 4.340 -0.000 0.000 0.236 351 L C 0.078 176.957 176.870 0.016 0.000 1.290 351 L CA -0.286 54.561 54.840 0.013 0.000 1.099 351 L CB 0.252 42.318 42.059 0.012 0.000 1.437 351 L HN 0.391 nan 8.230 nan 0.000 0.493 352 L N 1.309 122.542 121.223 0.017 0.000 2.345 352 L HA 0.581 4.920 4.340 -0.000 0.000 0.274 352 L C -0.905 175.971 176.870 0.010 0.000 0.999 352 L CA -0.320 54.528 54.840 0.014 0.000 0.849 352 L CB 1.087 43.159 42.059 0.021 0.000 1.220 352 L HN -0.050 nan 8.230 nan 0.000 0.422 353 L N 3.849 125.074 121.223 0.002 0.000 2.309 353 L HA 1.035 5.375 4.340 -0.000 0.000 0.261 353 L C 0.341 177.205 176.870 -0.009 0.000 1.021 353 L CA -0.351 54.489 54.840 -0.000 0.000 0.823 353 L CB 2.184 44.244 42.059 0.002 0.000 1.366 353 L HN 0.624 nan 8.230 nan 0.000 0.423 354 G N -0.340 108.452 108.800 -0.013 0.000 2.706 354 G HA2 0.682 4.641 3.960 -0.000 0.000 0.297 354 G HA3 0.682 4.641 3.960 -0.000 0.000 0.297 354 G C -2.065 172.805 174.900 -0.050 0.000 1.403 354 G CA -0.522 44.562 45.100 -0.026 0.000 0.954 354 G HN 0.318 nan 8.290 nan 0.000 0.500 355 V N 1.192 121.062 119.914 -0.073 0.000 2.483 355 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 355 V C -0.255 175.727 176.094 -0.187 0.000 1.027 355 V CA -0.725 61.518 62.300 -0.094 0.000 0.855 355 V CB 1.671 33.462 31.823 -0.052 0.000 0.995 355 V HN 0.621 nan 8.190 nan 0.000 0.424 356 V N 6.617 126.381 119.914 -0.250 0.000 2.407 356 V HA 0.498 4.618 4.120 -0.000 0.000 0.278 356 V C -0.041 175.962 176.094 -0.152 0.000 1.037 356 V CA -0.346 61.726 62.300 -0.380 0.000 0.900 356 V CB 1.395 32.966 31.823 -0.420 0.000 0.983 356 V HN 0.627 nan 8.190 nan 0.000 0.459 357 L N 4.129 125.301 121.223 -0.085 0.000 2.334 357 L HA 1.024 5.363 4.340 -0.000 0.000 0.270 357 L C 0.606 177.481 176.870 0.009 0.000 1.018 357 L CA -0.230 54.598 54.840 -0.021 0.000 0.811 357 L CB 1.999 44.054 42.059 -0.006 0.000 1.271 357 L HN 0.815 nan 8.230 nan 0.000 0.443 358 G N 0.023 108.834 108.800 0.017 0.000 2.488 358 G HA2 0.265 4.225 3.960 -0.000 0.000 0.301 358 G HA3 0.265 4.225 3.960 -0.000 0.000 0.301 358 G C -2.283 172.633 174.900 0.027 0.000 1.339 358 G CA -0.599 44.516 45.100 0.026 0.000 0.803 358 G HN 0.494 nan 8.290 nan 0.000 0.482 359 D N -0.482 119.934 120.400 0.027 0.000 2.345 359 D HA 0.459 5.098 4.640 -0.000 0.000 0.247 359 D C 1.143 177.459 176.300 0.026 0.000 1.108 359 D CA -0.340 53.676 54.000 0.026 0.000 0.894 359 D CB 0.700 41.514 40.800 0.024 0.000 1.203 359 D HN 0.349 nan 8.370 nan 0.000 0.430 372 A N 0.192 123.031 122.820 0.032 0.000 2.015 372 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 372 A C 2.100 179.700 177.584 0.027 0.000 1.163 372 A CA 2.216 54.275 52.037 0.036 0.000 0.646 372 A CB -0.774 18.266 19.000 0.066 0.000 0.806 372 A HN 0.472 nan 8.150 nan 0.000 0.448 373 S N -0.656 115.057 115.700 0.023 0.000 2.414 373 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 373 S C 2.022 176.623 174.600 0.001 0.000 1.022 373 S CA 0.891 59.098 58.200 0.013 0.000 0.958 373 S CB -0.189 63.018 63.200 0.011 0.000 0.797 373 S HN 0.611 nan 8.310 nan 0.000 0.493 374 R N 0.686 121.186 120.500 -0.001 0.000 2.070 374 R HA -0.013 4.326 4.340 -0.000 0.000 0.232 374 R C 1.993 178.282 176.300 -0.017 0.000 1.138 374 R CA 1.422 57.517 56.100 -0.009 0.000 0.936 374 R CB -0.565 29.730 30.300 -0.008 0.000 0.839 374 R HN 0.278 nan 8.270 nan 0.000 0.429 375 I N 0.396 120.952 120.570 -0.023 0.000 2.286 375 I HA -0.155 4.014 4.170 -0.000 0.000 0.248 375 I C 2.455 178.558 176.117 -0.024 0.000 1.115 375 I CA 1.662 62.938 61.300 -0.040 0.000 1.392 375 I CB -0.939 37.027 38.000 -0.056 0.000 1.065 375 I HN 0.304 nan 8.210 nan 0.000 0.418 376 G N -0.060 108.736 108.800 -0.007 0.000 2.418 376 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 376 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 376 G C 1.824 176.723 174.900 -0.002 0.000 1.158 376 G CA 0.856 45.958 45.100 0.003 0.000 0.771 376 G HN 0.512 nan 8.290 nan 0.000 0.545 377 A N 1.053 123.868 122.820 -0.008 0.000 1.897 377 A HA 0.372 4.692 4.320 -0.000 0.000 0.215 377 A C 2.796 180.376 177.584 -0.006 0.000 1.181 377 A CA 2.030 54.060 52.037 -0.012 0.000 0.620 377 A CB -0.712 18.277 19.000 -0.018 0.000 0.821 377 A HN 0.740 nan 8.150 nan 0.000 0.443 378 A N -0.093 122.720 122.820 -0.012 0.000 1.933 378 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 378 A C 2.460 180.040 177.584 -0.007 0.000 1.175 378 A CA 1.952 53.980 52.037 -0.014 0.000 0.628 378 A CB -0.892 18.092 19.000 -0.027 0.000 0.814 378 A HN 0.983 nan 8.150 nan 0.000 0.444 379 A N -0.337 122.479 122.820 -0.005 0.000 1.898 379 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 379 A C 2.198 179.806 177.584 0.039 0.000 1.181 379 A CA 1.409 53.450 52.037 0.008 0.000 0.620 379 A CB -0.610 18.393 19.000 0.006 0.000 0.819 379 A HN 0.557 nan 8.150 nan 0.000 0.442 380 L N -0.548 120.704 121.223 0.048 0.000 2.012 380 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 380 L C 2.580 179.518 176.870 0.113 0.000 1.073 380 L CA 2.361 57.263 54.840 0.104 0.000 0.748 380 L CB -0.304 41.792 42.059 0.062 0.000 0.891 380 L HN 0.488 nan 8.230 nan 0.000 0.431 381 K N -0.644 119.786 120.400 0.049 0.000 2.103 381 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 381 K C 2.180 178.776 176.600 -0.007 0.000 1.048 381 K CA 1.139 57.438 56.287 0.020 0.000 0.930 381 K CB 0.009 32.511 32.500 0.002 0.000 0.716 381 K HN 0.193 nan 8.250 nan 0.000 0.444 382 R N -0.806 119.694 120.500 0.001 0.000 2.235 382 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 382 R C 0.869 177.153 176.300 -0.026 0.000 1.059 382 R CA 1.121 57.213 56.100 -0.013 0.000 0.997 382 R CB 0.164 30.463 30.300 -0.002 0.000 0.884 382 R HN 0.545 nan 8.270 nan 0.000 0.462 383 G N 0.888 109.688 108.800 -0.001 0.000 2.145 383 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.176 383 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.176 383 G C -0.666 174.305 174.900 0.117 0.000 1.013 383 G CA -0.204 44.882 45.100 -0.024 0.000 0.689 383 G HN 0.210 nan 8.290 nan 0.000 0.506 384 L N 1.560 122.863 121.223 0.134 0.000 2.376 384 L HA 0.751 5.090 4.340 -0.000 0.000 0.275 384 L C -0.133 176.795 176.870 0.095 0.000 0.987 384 L CA -1.369 53.534 54.840 0.105 0.000 0.828 384 L CB 1.016 43.107 42.059 0.054 0.000 1.249 384 L HN 0.069 nan 8.230 nan 0.000 0.409 385 I N 4.203 124.817 120.570 0.074 0.000 2.395 385 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 385 I C 0.670 176.802 176.117 0.024 0.000 1.023 385 I CA 0.038 61.350 61.300 0.019 0.000 1.350 385 I CB 1.020 39.005 38.000 -0.023 0.000 1.409 385 I HN 0.767 nan 8.210 nan 0.000 0.507 386 T N 3.118 117.687 114.554 0.024 0.000 2.926 386 T HA 0.455 4.804 4.350 -0.000 0.000 0.289 386 T C -0.045 174.702 174.700 0.078 0.000 1.054 386 T CA -0.652 61.484 62.100 0.060 0.000 1.015 386 T CB 1.530 70.433 68.868 0.058 0.000 1.167 386 T HN 0.334 nan 8.240 nan 0.000 0.526 400 H N 0.066 119.141 119.070 0.008 0.000 2.569 400 H HA 0.766 5.322 4.556 -0.000 0.000 0.357 400 H C -1.306 174.025 175.328 0.005 0.000 1.153 400 H CA -0.900 55.149 56.048 0.001 0.000 1.193 400 H CB 1.956 31.713 29.762 -0.008 0.000 1.602 400 H HN 0.059 nan 8.280 nan 0.000 0.523 401 L N 3.109 124.381 121.223 0.082 0.000 2.349 401 L HA 0.405 4.745 4.340 -0.000 0.000 0.278 401 L C -1.670 175.219 176.870 0.032 0.000 0.996 401 L CA -0.758 54.115 54.840 0.055 0.000 0.825 401 L CB 1.137 43.208 42.059 0.020 0.000 1.243 401 L HN 0.484 nan 8.230 nan 0.000 0.412 402 L N 5.967 127.209 121.223 0.032 0.000 2.282 402 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 402 L C -1.206 175.683 176.870 0.032 0.000 1.033 402 L CA 0.014 54.834 54.840 -0.034 0.000 0.807 402 L CB 1.105 43.013 42.059 -0.251 0.000 1.209 402 L HN 0.594 nan 8.230 nan 0.000 0.423 403 L N 4.416 125.649 121.223 0.018 0.000 2.341 403 L HA 0.898 5.238 4.340 -0.000 0.000 0.267 403 L C 0.087 176.977 176.870 0.033 0.000 1.009 403 L CA -0.671 54.192 54.840 0.038 0.000 0.819 403 L CB 2.164 44.236 42.059 0.022 0.000 1.323 403 L HN 0.738 nan 8.230 nan 0.000 0.425 404 G N 2.011 110.837 108.800 0.045 0.000 3.532 404 G HA2 0.219 4.179 3.960 -0.000 0.000 0.272 404 G HA3 0.219 4.179 3.960 -0.000 0.000 0.272 404 G C -3.156 171.763 174.900 0.031 0.000 3.843 404 G CA -0.333 44.789 45.100 0.037 0.000 0.482 404 G HN 0.226 nan 8.290 nan 0.000 0.274 405 P HA 0.367 nan 4.420 nan 0.000 0.275 405 P C -2.785 174.502 177.300 -0.021 0.000 1.266 405 P CA -1.549 61.543 63.100 -0.013 0.000 0.793 405 P CB 0.669 32.350 31.700 -0.033 0.000 1.074 406 P HA 0.035 nan 4.420 nan 0.000 0.266 406 P C 0.957 178.239 177.300 -0.030 0.000 1.195 406 P CA 0.145 63.214 63.100 -0.051 0.000 0.768 406 P CB 0.070 31.720 31.700 -0.084 0.000 0.838 407 L N 2.488 123.700 121.223 -0.017 0.000 2.353 407 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 407 L C 1.800 178.666 176.870 -0.007 0.000 1.133 407 L CA 1.816 56.653 54.840 -0.005 0.000 0.798 407 L CB -1.459 40.604 42.059 0.006 0.000 0.922 407 L HN 0.366 nan 8.230 nan 0.000 0.445 408 S N -1.894 113.797 115.700 -0.014 0.000 2.575 408 S HA 0.134 4.604 4.470 -0.000 0.000 0.215 408 S C 0.903 175.498 174.600 -0.008 0.000 0.966 408 S CA -0.481 57.714 58.200 -0.008 0.000 0.911 408 S CB -0.593 62.603 63.200 -0.007 0.000 0.780 408 S HN 0.290 nan 8.310 nan 0.000 0.514 409 I N 3.776 124.334 120.570 -0.021 0.000 2.815 409 I HA 0.059 4.228 4.170 -0.000 0.000 0.291 409 I C 0.738 176.852 176.117 -0.005 0.000 1.209 409 I CA 0.161 61.444 61.300 -0.028 0.000 1.431 409 I CB 0.919 38.892 38.000 -0.044 0.000 1.351 409 I HN 0.370 nan 8.210 nan 0.000 0.585 410 T N 3.766 118.325 114.554 0.008 0.000 2.902 410 T HA 0.497 4.847 4.350 -0.000 0.000 0.280 410 T C 1.046 175.759 174.700 0.021 0.000 0.992 410 T CA -0.220 61.894 62.100 0.023 0.000 1.015 410 T CB 1.661 70.555 68.868 0.043 0.000 1.044 410 T HN 0.723 nan 8.240 nan 0.000 0.520 411 A N 1.243 124.077 122.820 0.023 0.000 1.908 411 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 411 A C 2.630 180.231 177.584 0.029 0.000 1.181 411 A CA 1.998 54.048 52.037 0.021 0.000 0.627 411 A CB -1.577 17.435 19.000 0.020 0.000 0.818 411 A HN 1.282 nan 8.150 nan 0.000 0.445 412 A N -0.276 122.567 122.820 0.039 0.000 1.933 412 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 412 A C 1.895 179.516 177.584 0.061 0.000 1.175 412 A CA 1.620 53.687 52.037 0.049 0.000 0.628 412 A CB -0.504 18.530 19.000 0.057 0.000 0.814 412 A HN 0.659 nan 8.150 nan 0.000 0.444 413 E N -0.415 119.823 120.200 0.062 0.000 2.150 413 E HA -0.081 4.268 4.350 -0.000 0.000 0.193 413 E C 1.881 178.494 176.600 0.023 0.000 0.985 413 E CA 1.003 57.438 56.400 0.058 0.000 0.814 413 E CB -0.192 29.520 29.700 0.020 0.000 0.752 413 E HN 0.411 nan 8.360 nan 0.000 0.466 414 V N 1.983 121.907 119.914 0.016 0.000 2.358 414 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 414 V C 1.703 177.810 176.094 0.021 0.000 1.047 414 V CA 1.793 64.099 62.300 0.010 0.000 1.035 414 V CB -0.333 31.495 31.823 0.009 0.000 0.658 414 V HN 0.208 nan 8.190 nan 0.000 0.452 415 D N 0.591 121.009 120.400 0.030 0.000 2.144 415 D HA -0.105 4.534 4.640 -0.000 0.000 0.200 415 D C 2.187 178.511 176.300 0.041 0.000 0.978 415 D CA 1.584 55.604 54.000 0.034 0.000 0.833 415 D CB -0.386 40.434 40.800 0.034 0.000 0.961 415 D HN 0.491 nan 8.370 nan 0.000 0.470 416 G N 1.209 110.041 108.800 0.052 0.000 2.408 416 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.217 416 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.217 416 G C 1.701 176.634 174.900 0.055 0.000 1.150 416 G CA 0.256 45.396 45.100 0.067 0.000 0.776 416 G HN 0.278 nan 8.290 nan 0.000 0.542 417 L N -0.018 121.227 121.223 0.037 0.000 2.017 417 L HA 0.021 4.360 4.340 -0.000 0.000 0.208 417 L C 2.819 179.703 176.870 0.024 0.000 1.073 417 L CA 1.065 55.919 54.840 0.023 0.000 0.745 417 L CB -0.187 41.874 42.059 0.003 0.000 0.894 417 L HN 0.197 nan 8.230 nan 0.000 0.432 418 L N -0.222 121.017 121.223 0.027 0.000 2.042 418 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 418 L C 2.840 179.732 176.870 0.037 0.000 1.076 418 L CA 1.198 56.056 54.840 0.030 0.000 0.749 418 L CB -0.813 41.266 42.059 0.034 0.000 0.893 418 L HN 0.380 nan 8.230 nan 0.000 0.432 419 A N 0.102 122.946 122.820 0.040 0.000 1.902 419 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 419 A C 2.234 179.839 177.584 0.035 0.000 1.181 419 A CA 1.389 53.452 52.037 0.043 0.000 0.623 419 A CB -0.653 18.372 19.000 0.042 0.000 0.818 419 A HN 0.365 nan 8.150 nan 0.000 0.443 420 L N -1.192 120.049 121.223 0.030 0.000 2.056 420 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 420 L C 2.544 179.416 176.870 0.003 0.000 1.078 420 L CA 1.047 55.899 54.840 0.021 0.000 0.749 420 L CB -0.567 41.510 42.059 0.030 0.000 0.901 420 L HN 0.430 nan 8.230 nan 0.000 0.433 421 L N 0.333 121.555 121.223 -0.002 0.000 2.046 421 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 421 L C 2.676 179.502 176.870 -0.074 0.000 1.077 421 L CA 1.933 56.753 54.840 -0.034 0.000 0.747 421 L CB -0.683 41.362 42.059 -0.024 0.000 0.896 421 L HN 0.149 nan 8.230 nan 0.000 0.432 422 A N -0.568 122.241 122.820 -0.018 0.000 1.908 422 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 422 A C 2.341 179.918 177.584 -0.012 0.000 1.181 422 A CA 1.692 53.742 52.037 0.022 0.000 0.627 422 A CB -1.595 17.491 19.000 0.143 0.000 0.818 422 A HN 0.535 nan 8.150 nan 0.000 0.445 423 G N -0.641 108.161 108.800 0.004 0.000 2.418 423 G HA2 0.011 3.971 3.960 -0.000 0.000 0.217 423 G HA3 0.011 3.971 3.960 -0.000 0.000 0.217 423 G C 1.757 176.632 174.900 -0.041 0.000 1.158 423 G CA 1.450 46.553 45.100 0.005 0.000 0.771 423 G HN 0.812 nan 8.290 nan 0.000 0.545 424 A N 0.378 123.155 122.820 -0.072 0.000 1.902 424 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 424 A C 2.353 179.838 177.584 -0.165 0.000 1.181 424 A CA 1.470 53.453 52.037 -0.089 0.000 0.623 424 A CB -0.400 18.556 19.000 -0.074 0.000 0.818 424 A HN 0.282 nan 8.150 nan 0.000 0.443 425 L N -0.270 120.762 121.223 -0.318 0.000 2.046 425 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 425 L C 2.429 179.026 176.870 -0.456 0.000 1.077 425 L CA 2.289 56.763 54.840 -0.610 0.000 0.747 425 L CB -0.972 40.279 42.059 -1.346 0.000 0.896 425 L HN 0.569 nan 8.230 nan 0.000 0.432 426 E N -0.125 119.946 120.200 -0.216 0.000 2.077 426 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 426 E C 1.790 178.421 176.600 0.052 0.000 0.989 426 E CA 1.509 57.980 56.400 0.119 0.000 0.800 426 E CB -0.131 29.680 29.700 0.185 0.000 0.746 426 E HN 0.442 nan 8.360 nan 0.000 0.452 427 D N -0.409 119.988 120.400 -0.004 0.000 2.097 427 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 427 D C 2.011 178.309 176.300 -0.004 0.000 0.989 427 D CA 1.602 55.601 54.000 -0.001 0.000 0.827 427 D CB -0.159 40.633 40.800 -0.015 0.000 0.966 427 D HN 0.182 nan 8.370 nan 0.000 0.456 428 V N 0.824 120.719 119.914 -0.031 0.000 2.446 428 V HA -0.041 4.079 4.120 -0.000 0.000 0.244 428 V C 1.617 177.712 176.094 0.002 0.000 1.039 428 V CA 0.765 63.052 62.300 -0.023 0.000 1.045 428 V CB -0.157 31.638 31.823 -0.046 0.000 0.681 428 V HN 0.039 nan 8.190 nan 0.000 0.459 429 L N 0.000 121.228 121.223 0.009 0.000 2.949 429 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 429 L CA 0.000 54.888 54.840 0.081 0.000 0.813 429 L CB 0.000 42.141 42.059 0.136 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502