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 3ez4_1_E DATA FIRST_RESID 0 DATA SEQUENCE HMVTVPKLQA MREAGEKIAM LTSYDASFAA LLDRANVDVQ LIGDSLGNVL DATA SEQUENCE QGQATTLPVT LDDIAYHTAC VARAQPRGLV VADLPFGTYG TPADAFASAV DATA SEQUENCE KLMRAGAQMV KLEGGEWLAE TVRFLVERAV PVCAHVGXXX XXXXXXXXXX DATA SEQUENCE XXXXXXAGAA QLLRDARAVE EAGAQLIVLE AVPTLVAAEV TRELSIPTIG DATA SEQUENCE IGAGAECSGQ VLVLHDMLGV FPGKRPRFVK DFMQGQPSIF AAVEAYVRAV DATA SEQUENCE KDGSFPGPEH SF 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.327 175.328 -0.002 0.000 0.993 0 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 0 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 1 M N 2.026 121.625 119.600 -0.002 0.000 2.216 1 M HA 0.480 4.960 4.480 -0.000 0.000 0.356 1 M C -0.069 176.229 176.300 -0.003 0.000 1.205 1 M CA -0.771 54.527 55.300 -0.002 0.000 1.122 1 M CB 0.957 33.556 32.600 -0.002 0.000 1.571 1 M HN 0.511 nan 8.290 nan 0.000 0.464 2 V N 3.787 123.699 119.914 -0.004 0.000 2.405 2 V HA 0.249 4.369 4.120 -0.000 0.000 0.264 2 V C 0.778 176.869 176.094 -0.005 0.000 1.048 2 V CA -0.243 62.054 62.300 -0.005 0.000 0.966 2 V CB 0.170 31.989 31.823 -0.006 0.000 1.015 2 V HN 1.018 nan 8.190 nan 0.000 0.477 3 T N 1.620 116.170 114.554 -0.006 0.000 2.949 3 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 3 T C 1.093 175.789 174.700 -0.007 0.000 1.034 3 T CA -0.623 61.474 62.100 -0.006 0.000 1.018 3 T CB 1.713 70.578 68.868 -0.005 0.000 1.135 3 T HN 0.050 nan 8.240 nan 0.000 0.532 4 V N 1.589 121.499 119.914 -0.007 0.000 2.287 4 V HA -0.068 4.052 4.120 -0.000 0.000 0.248 4 V C -0.596 175.492 176.094 -0.010 0.000 1.053 4 V CA 1.724 64.019 62.300 -0.008 0.000 1.027 4 V CB -1.772 30.047 31.823 -0.007 0.000 0.646 4 V HN 0.748 nan 8.190 nan 0.000 0.447 5 P HA -0.122 nan 4.420 nan 0.000 0.218 5 P C 1.719 179.013 177.300 -0.010 0.000 1.148 5 P CA 2.364 65.459 63.100 -0.009 0.000 0.822 5 P CB -0.146 31.549 31.700 -0.008 0.000 0.784 6 K N 0.121 120.515 120.400 -0.010 0.000 2.097 6 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 6 K C 2.055 178.647 176.600 -0.013 0.000 1.049 6 K CA 1.562 57.843 56.287 -0.011 0.000 0.933 6 K CB -1.828 30.666 32.500 -0.010 0.000 0.717 6 K HN 0.148 nan 8.250 nan 0.000 0.442 7 L N -0.093 121.122 121.223 -0.014 0.000 2.056 7 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 7 L C 3.067 179.926 176.870 -0.017 0.000 1.078 7 L CA 1.497 56.328 54.840 -0.016 0.000 0.749 7 L CB -0.243 41.806 42.059 -0.016 0.000 0.901 7 L HN 0.446 nan 8.230 nan 0.000 0.433 8 Q N 0.340 120.131 119.800 -0.016 0.000 2.167 8 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 8 Q C 2.151 178.142 176.000 -0.015 0.000 0.970 8 Q CA 1.796 57.589 55.803 -0.016 0.000 0.855 8 Q CB -0.167 28.563 28.738 -0.014 0.000 0.911 8 Q HN 0.431 nan 8.270 nan 0.000 0.438 9 A N 0.089 122.900 122.820 -0.014 0.000 1.877 9 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 9 A C 2.124 179.698 177.584 -0.016 0.000 1.186 9 A CA 1.736 53.765 52.037 -0.014 0.000 0.620 9 A CB -0.593 18.399 19.000 -0.012 0.000 0.822 9 A HN 0.503 nan 8.150 nan 0.000 0.443 10 M N -1.184 118.406 119.600 -0.017 0.000 2.108 10 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 10 M C 2.379 178.666 176.300 -0.022 0.000 1.066 10 M CA 2.144 57.432 55.300 -0.020 0.000 1.107 10 M CB -0.338 32.248 32.600 -0.022 0.000 1.356 10 M HN 0.553 nan 8.290 nan 0.000 0.406 11 R N 0.489 120.976 120.500 -0.022 0.000 2.073 11 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 11 R C 1.905 178.193 176.300 -0.020 0.000 1.134 11 R CA 1.547 57.634 56.100 -0.023 0.000 0.952 11 R CB -0.098 30.188 30.300 -0.023 0.000 0.850 11 R HN 0.299 nan 8.270 nan 0.000 0.433 12 E N 0.359 120.548 120.200 -0.018 0.000 2.106 12 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 12 E C 1.747 178.338 176.600 -0.016 0.000 0.984 12 E CA 1.302 57.693 56.400 -0.016 0.000 0.806 12 E CB -0.170 29.522 29.700 -0.014 0.000 0.750 12 E HN 0.507 nan 8.360 nan 0.000 0.458 13 A N 0.196 123.006 122.820 -0.016 0.000 2.235 13 A HA 0.242 4.561 4.320 -0.000 0.000 0.208 13 A C 1.694 179.268 177.584 -0.017 0.000 1.172 13 A CA 1.039 53.067 52.037 -0.016 0.000 0.786 13 A CB -0.345 18.646 19.000 -0.015 0.000 0.804 13 A HN 0.286 nan 8.150 nan 0.000 0.479 14 G N -0.508 108.280 108.800 -0.020 0.000 2.153 14 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.252 14 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.252 14 G C -0.027 174.858 174.900 -0.025 0.000 0.994 14 G CA 0.465 45.552 45.100 -0.022 0.000 0.698 14 G HN 0.806 nan 8.290 nan 0.000 0.521 15 E N 0.733 120.918 120.200 -0.026 0.000 2.200 15 E HA 0.424 4.774 4.350 -0.000 0.000 0.283 15 E C 0.329 176.908 176.600 -0.036 0.000 1.015 15 E CA -0.858 55.524 56.400 -0.030 0.000 0.819 15 E CB 0.431 30.113 29.700 -0.029 0.000 1.081 15 E HN 0.065 nan 8.360 nan 0.000 0.397 16 K N 4.007 124.381 120.400 -0.043 0.000 2.270 16 K HA 0.263 4.583 4.320 -0.000 0.000 0.276 16 K C 0.027 176.593 176.600 -0.056 0.000 1.023 16 K CA -0.314 55.944 56.287 -0.049 0.000 0.955 16 K CB 0.764 33.230 32.500 -0.056 0.000 0.975 16 K HN 0.543 nan 8.250 nan 0.000 0.471 17 I N 1.895 122.437 120.570 -0.047 0.000 2.325 17 I HA 0.120 4.289 4.170 -0.000 0.000 0.291 17 I C 0.275 176.365 176.117 -0.046 0.000 1.019 17 I CA -0.384 60.891 61.300 -0.041 0.000 1.302 17 I CB 1.320 39.303 38.000 -0.028 0.000 1.401 17 I HN 0.491 nan 8.210 nan 0.000 0.485 18 A N 8.390 131.177 122.820 -0.055 0.000 2.260 18 A HA 0.715 5.035 4.320 -0.000 0.000 0.308 18 A C -0.433 177.186 177.584 0.058 0.000 1.254 18 A CA -0.467 51.540 52.037 -0.049 0.000 0.874 18 A CB 0.671 19.585 19.000 -0.143 0.000 1.153 18 A HN 0.795 nan 8.150 nan 0.000 0.527 19 M N 3.874 123.554 119.600 0.134 0.000 2.326 19 M HA 0.685 5.165 4.480 -0.000 0.000 0.306 19 M C -2.047 174.304 176.300 0.085 0.000 1.054 19 M CA -0.471 54.876 55.300 0.080 0.000 0.922 19 M CB 1.275 33.898 32.600 0.038 0.000 1.632 19 M HN 0.640 nan 8.290 nan 0.000 0.436 20 L N 2.638 123.851 121.223 -0.017 0.000 2.371 20 L HA 0.635 4.974 4.340 -0.000 0.000 0.262 20 L C 0.143 176.928 176.870 -0.142 0.000 1.006 20 L CA -0.908 53.852 54.840 -0.132 0.000 0.818 20 L CB 2.791 44.728 42.059 -0.203 0.000 1.354 20 L HN 0.798 nan 8.230 nan 0.000 0.415 21 T N -1.242 113.205 114.554 -0.179 0.000 2.860 21 T HA 0.441 4.791 4.350 -0.000 0.000 0.299 21 T C -0.113 174.276 174.700 -0.518 0.000 1.045 21 T CA -0.476 61.440 62.100 -0.307 0.000 1.071 21 T CB 1.594 70.329 68.868 -0.222 0.000 0.985 21 T HN 0.506 nan 8.240 nan 0.000 0.537 22 S N 0.841 116.062 115.700 -0.798 0.000 2.535 22 S HA 0.540 5.010 4.470 -0.000 0.000 0.272 22 S C -1.510 172.680 174.600 -0.684 0.000 1.149 22 S CA -0.803 57.030 58.200 -0.612 0.000 0.888 22 S CB 0.850 63.913 63.200 -0.228 0.000 1.110 22 S HN 0.791 nan 8.310 nan 0.000 0.463 23 Y N 1.620 121.953 120.300 0.055 0.000 2.729 23 Y HA 0.311 4.860 4.550 -0.000 0.000 0.266 23 Y C -0.023 175.977 175.900 0.167 0.000 1.064 23 Y CA -0.547 57.589 58.100 0.060 0.000 1.251 23 Y CB 0.354 38.740 38.460 -0.122 0.000 1.379 23 Y HN 0.740 nan 8.280 nan 0.000 0.569 24 D N -1.421 119.139 120.400 0.265 0.000 2.615 24 D HA 0.608 5.248 4.640 -0.000 0.000 0.267 24 D C 0.747 177.137 176.300 0.149 0.000 1.236 24 D CA -0.436 53.694 54.000 0.217 0.000 0.839 24 D CB 1.096 42.070 40.800 0.291 0.000 1.380 24 D HN -0.099 nan 8.370 nan 0.000 0.433 25 A N 0.262 123.134 122.820 0.087 0.000 1.930 25 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 25 A C 1.968 179.569 177.584 0.028 0.000 1.175 25 A CA 1.688 53.749 52.037 0.040 0.000 0.627 25 A CB -0.959 18.047 19.000 0.011 0.000 0.815 25 A HN 0.428 nan 8.150 nan 0.000 0.443 26 S N -0.800 114.909 115.700 0.015 0.000 2.355 26 S HA -0.048 4.422 4.470 -0.000 0.000 0.222 26 S C 1.593 176.089 174.600 -0.174 0.000 1.031 26 S CA 1.338 59.473 58.200 -0.108 0.000 0.993 26 S CB -0.502 62.587 63.200 -0.186 0.000 0.859 26 S HN 0.537 nan 8.310 nan 0.000 0.453 27 F N 1.938 121.896 119.950 0.014 0.000 2.234 27 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 27 F C 2.498 178.290 175.800 -0.014 0.000 1.087 27 F CA 0.686 58.684 58.000 -0.004 0.000 1.340 27 F CB -0.714 38.276 39.000 -0.016 0.000 1.031 27 F HN 0.169 nan 8.300 nan 0.000 0.500 28 A N 0.077 122.982 122.820 0.142 0.000 1.902 28 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 28 A C 2.435 180.044 177.584 0.042 0.000 1.181 28 A CA 1.726 53.804 52.037 0.068 0.000 0.623 28 A CB -1.273 17.753 19.000 0.042 0.000 0.818 28 A HN 0.300 nan 8.150 nan 0.000 0.443 29 A N -0.283 122.549 122.820 0.021 0.000 1.877 29 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 29 A C 2.236 179.833 177.584 0.022 0.000 1.186 29 A CA 1.590 53.630 52.037 0.004 0.000 0.620 29 A CB -0.683 18.301 19.000 -0.026 0.000 0.822 29 A HN 0.690 nan 8.150 nan 0.000 0.443 30 L N -1.049 120.187 121.223 0.021 0.000 2.046 30 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 30 L C 2.239 179.199 176.870 0.149 0.000 1.077 30 L CA 1.262 56.157 54.840 0.092 0.000 0.747 30 L CB -0.236 41.854 42.059 0.052 0.000 0.896 30 L HN 0.290 nan 8.230 nan 0.000 0.432 31 L N 0.077 121.362 121.223 0.105 0.000 2.046 31 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 31 L C 2.142 179.050 176.870 0.064 0.000 1.077 31 L CA 1.966 56.848 54.840 0.070 0.000 0.747 31 L CB -0.985 41.097 42.059 0.039 0.000 0.896 31 L HN 0.367 nan 8.230 nan 0.000 0.432 32 D N -0.978 119.458 120.400 0.060 0.000 2.123 32 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 32 D C 2.424 178.769 176.300 0.076 0.000 0.976 32 D CA 0.704 54.733 54.000 0.049 0.000 0.831 32 D CB 0.057 40.875 40.800 0.030 0.000 0.974 32 D HN 0.070 nan 8.370 nan 0.000 0.469 33 R N -0.152 120.413 120.500 0.108 0.000 2.127 33 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 33 R C 1.604 178.094 176.300 0.316 0.000 1.134 33 R CA 1.384 57.584 56.100 0.167 0.000 0.975 33 R CB -0.189 30.184 30.300 0.121 0.000 0.865 33 R HN 0.154 nan 8.270 nan 0.000 0.447 34 A N 0.347 123.329 122.820 0.270 0.000 2.259 34 A HA 0.047 4.367 4.320 -0.000 0.000 0.208 34 A C -0.057 177.530 177.584 0.005 0.000 1.201 34 A CA 0.492 52.565 52.037 0.060 0.000 0.824 34 A CB -0.451 18.451 19.000 -0.164 0.000 0.838 34 A HN 0.702 nan 8.150 nan 0.000 0.485 35 N N -1.526 117.198 118.700 0.039 0.000 2.754 35 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 35 N C -0.480 175.025 175.510 -0.007 0.000 1.093 35 N CA 0.432 53.488 53.050 0.011 0.000 0.699 35 N CB -1.712 36.777 38.487 0.002 0.000 1.016 35 N HN 0.213 nan 8.380 nan 0.000 0.552 36 V N 0.716 120.632 119.914 0.003 0.000 2.585 36 V HA -0.041 4.079 4.120 -0.000 0.000 0.296 36 V C 1.381 177.476 176.094 0.002 0.000 1.035 36 V CA 0.306 62.610 62.300 0.007 0.000 1.084 36 V CB 1.050 32.883 31.823 0.017 0.000 0.953 36 V HN 0.276 nan 8.190 nan 0.000 0.483 37 D N 3.016 123.414 120.400 -0.004 0.000 2.123 37 D HA -0.002 4.638 4.640 -0.000 0.000 0.200 37 D C 0.294 176.591 176.300 -0.005 0.000 0.976 37 D CA 1.270 55.265 54.000 -0.008 0.000 0.831 37 D CB 0.473 41.264 40.800 -0.015 0.000 0.974 37 D HN 0.375 nan 8.370 nan 0.000 0.469 38 V N 1.255 121.168 119.914 -0.002 0.000 2.623 38 V HA 0.235 4.355 4.120 -0.000 0.000 0.304 38 V C -0.608 175.477 176.094 -0.015 0.000 1.054 38 V CA -0.779 61.517 62.300 -0.007 0.000 0.882 38 V CB 2.304 34.123 31.823 -0.008 0.000 1.002 38 V HN -0.107 nan 8.190 nan 0.000 0.424 39 Q N 3.583 123.368 119.800 -0.025 0.000 2.307 39 Q HA 0.635 4.975 4.340 -0.000 0.000 0.262 39 Q C -1.260 174.708 176.000 -0.054 0.000 0.961 39 Q CA -0.792 54.980 55.803 -0.051 0.000 0.882 39 Q CB 2.831 31.541 28.738 -0.048 0.000 1.264 39 Q HN 0.571 nan 8.270 nan 0.000 0.446 40 L N 3.817 124.991 121.223 -0.082 0.000 2.305 40 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 40 L C -1.262 175.554 176.870 -0.090 0.000 1.013 40 L CA -0.438 54.371 54.840 -0.052 0.000 0.819 40 L CB 1.186 43.230 42.059 -0.025 0.000 1.227 40 L HN 0.541 nan 8.230 nan 0.000 0.417 41 I N 5.888 126.452 120.570 -0.009 0.000 2.256 41 I HA 0.452 4.622 4.170 -0.000 0.000 0.294 41 I C 0.940 177.149 176.117 0.153 0.000 1.127 41 I CA 0.297 61.643 61.300 0.077 0.000 1.247 41 I CB 0.433 38.511 38.000 0.129 0.000 1.460 41 I HN 0.714 nan 8.210 nan 0.000 0.511 42 G N 3.043 111.973 108.800 0.217 0.000 2.461 42 G HA2 0.315 4.275 3.960 -0.000 0.000 0.329 42 G HA3 0.315 4.275 3.960 -0.000 0.000 0.329 42 G C 0.520 175.553 174.900 0.221 0.000 1.170 42 G CA -0.476 44.750 45.100 0.209 0.000 0.935 42 G HN 0.637 nan 8.290 nan 0.000 0.492 43 D N -0.778 119.721 120.400 0.165 0.000 2.371 43 D HA -0.145 4.495 4.640 -0.000 0.000 0.221 43 D C 2.165 178.509 176.300 0.074 0.000 0.986 43 D CA 0.943 55.013 54.000 0.117 0.000 0.899 43 D CB -0.297 40.579 40.800 0.126 0.000 0.902 43 D HN 0.323 nan 8.370 nan 0.000 0.530 44 S N 1.050 116.813 115.700 0.105 0.000 2.423 44 S HA -0.281 4.189 4.470 -0.000 0.000 0.238 44 S C 2.064 176.615 174.600 -0.082 0.000 1.028 44 S CA 1.224 59.461 58.200 0.061 0.000 1.000 44 S CB -1.092 62.194 63.200 0.144 0.000 0.797 44 S HN 0.494 nan 8.310 nan 0.000 0.487 45 L N 1.281 122.392 121.223 -0.187 0.000 2.187 45 L HA 0.200 4.540 4.340 -0.000 0.000 0.213 45 L C 2.273 178.964 176.870 -0.298 0.000 1.100 45 L CA 1.604 56.126 54.840 -0.531 0.000 0.765 45 L CB -1.691 39.945 42.059 -0.705 0.000 0.904 45 L HN 0.229 nan 8.230 nan 0.000 0.437 46 G N 0.104 108.821 108.800 -0.137 0.000 2.469 46 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 46 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 46 G C 1.310 176.153 174.900 -0.094 0.000 1.150 46 G CA 1.295 46.347 45.100 -0.080 0.000 0.763 46 G HN 0.645 nan 8.290 nan 0.000 0.561 47 N N -0.151 118.488 118.700 -0.102 0.000 2.182 47 N HA -0.011 4.729 4.740 -0.000 0.000 0.186 47 N C 2.312 177.731 175.510 -0.151 0.000 1.036 47 N CA 1.510 54.502 53.050 -0.095 0.000 0.850 47 N CB -0.146 38.306 38.487 -0.059 0.000 1.010 47 N HN 0.274 nan 8.380 nan 0.000 0.432 48 V N -0.986 118.781 119.914 -0.244 0.000 2.788 48 V HA 0.096 4.216 4.120 -0.000 0.000 0.251 48 V C 1.541 177.361 176.094 -0.457 0.000 1.068 48 V CA 1.177 63.257 62.300 -0.368 0.000 1.090 48 V CB -0.593 30.924 31.823 -0.511 0.000 0.710 48 V HN 0.215 nan 8.190 nan 0.000 0.467 49 L N -0.769 120.190 121.223 -0.441 0.000 2.349 49 L HA 0.176 4.516 4.340 -0.000 0.000 0.200 49 L C 2.697 179.465 176.870 -0.169 0.000 1.064 49 L CA 0.738 55.378 54.840 -0.334 0.000 0.821 49 L CB -0.401 41.407 42.059 -0.418 0.000 1.027 49 L HN 0.213 nan 8.230 nan 0.000 0.476 50 Q N 0.409 120.119 119.800 -0.150 0.000 2.432 50 Q HA 0.098 4.438 4.340 -0.000 0.000 0.205 50 Q C 1.163 177.126 176.000 -0.062 0.000 0.945 50 Q CA 0.589 56.348 55.803 -0.073 0.000 0.924 50 Q CB 0.347 29.056 28.738 -0.049 0.000 1.016 50 Q HN 0.585 nan 8.270 nan 0.000 0.503 51 G N 1.344 110.096 108.800 -0.080 0.000 2.198 51 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 51 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 51 G C -0.041 174.835 174.900 -0.041 0.000 1.025 51 G CA 0.069 45.136 45.100 -0.056 0.000 0.769 51 G HN 0.186 nan 8.290 nan 0.000 0.507 52 Q N -1.083 118.691 119.800 -0.044 0.000 2.256 52 Q HA 0.660 5.000 4.340 -0.000 0.000 0.232 52 Q C 1.515 177.496 176.000 -0.032 0.000 0.965 52 Q CA 0.067 55.851 55.803 -0.032 0.000 0.908 52 Q CB 1.310 30.031 28.738 -0.028 0.000 1.209 52 Q HN 0.497 nan 8.270 nan 0.000 0.489 53 A N 0.959 123.763 122.820 -0.027 0.000 1.970 53 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 53 A C 1.022 178.588 177.584 -0.031 0.000 1.170 53 A CA 1.619 53.639 52.037 -0.028 0.000 0.645 53 A CB 0.000 18.985 19.000 -0.026 0.000 0.816 53 A HN 0.760 nan 8.150 nan 0.000 0.447 54 T N -5.131 109.405 114.554 -0.031 0.000 2.864 54 T HA 0.431 4.781 4.350 -0.000 0.000 0.289 54 T C 0.591 175.275 174.700 -0.027 0.000 1.082 54 T CA 0.344 62.423 62.100 -0.035 0.000 1.009 54 T CB 1.231 70.070 68.868 -0.049 0.000 1.234 54 T HN 0.294 nan 8.240 nan 0.000 0.526 55 T N -0.829 113.711 114.554 -0.023 0.000 3.107 55 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 55 T C 1.800 176.512 174.700 0.020 0.000 1.096 55 T CA -0.105 61.996 62.100 0.001 0.000 1.012 55 T CB -0.641 68.239 68.868 0.021 0.000 0.977 55 T HN 0.493 nan 8.240 nan 0.000 0.527 56 L N 0.896 122.114 121.223 -0.008 0.000 2.131 56 L HA 0.052 4.392 4.340 -0.000 0.000 0.210 56 L C -0.366 176.553 176.870 0.082 0.000 1.092 56 L CA 1.022 55.879 54.840 0.028 0.000 0.759 56 L CB -1.416 40.613 42.059 -0.049 0.000 0.903 56 L HN 0.253 nan 8.230 nan 0.000 0.435 57 P HA -0.051 nan 4.420 nan 0.000 0.230 57 P C 0.277 177.611 177.300 0.058 0.000 1.158 57 P CA 0.557 63.686 63.100 0.047 0.000 0.769 57 P CB -0.020 31.693 31.700 0.021 0.000 0.807 58 V N 1.279 121.233 119.914 0.068 0.000 2.529 58 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 58 V C 1.120 177.271 176.094 0.095 0.000 1.028 58 V CA 0.273 62.619 62.300 0.077 0.000 1.074 58 V CB 0.034 31.906 31.823 0.082 0.000 0.958 58 V HN 0.220 nan 8.190 nan 0.000 0.481 59 T N 2.564 117.170 114.554 0.086 0.000 2.936 59 T HA 0.444 4.793 4.350 -0.000 0.000 0.282 59 T C 0.864 175.621 174.700 0.095 0.000 1.003 59 T CA -0.692 61.456 62.100 0.080 0.000 1.005 59 T CB 1.383 70.284 68.868 0.056 0.000 1.097 59 T HN 0.270 nan 8.240 nan 0.000 0.532 60 L N 0.647 121.920 121.223 0.083 0.000 2.046 60 L HA 0.012 4.351 4.340 -0.000 0.000 0.208 60 L C 1.927 178.851 176.870 0.089 0.000 1.077 60 L CA 1.962 56.855 54.840 0.087 0.000 0.747 60 L CB -1.096 41.004 42.059 0.068 0.000 0.896 60 L HN 0.734 nan 8.230 nan 0.000 0.432 61 D N -0.372 120.072 120.400 0.072 0.000 2.149 61 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 61 D C 1.783 178.150 176.300 0.113 0.000 0.990 61 D CA 1.269 55.312 54.000 0.072 0.000 0.839 61 D CB -0.175 40.646 40.800 0.035 0.000 0.948 61 D HN 0.395 nan 8.370 nan 0.000 0.460 62 D N 0.199 120.674 120.400 0.126 0.000 2.092 62 D HA -0.128 4.511 4.640 -0.000 0.000 0.193 62 D C 2.208 178.695 176.300 0.312 0.000 0.994 62 D CA 0.538 54.664 54.000 0.211 0.000 0.828 62 D CB -0.211 40.701 40.800 0.186 0.000 0.963 62 D HN 0.175 nan 8.370 nan 0.000 0.450 63 I N 1.253 121.962 120.570 0.231 0.000 2.179 63 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 63 I C 2.517 178.753 176.117 0.199 0.000 1.088 63 I CA 0.860 62.297 61.300 0.227 0.000 1.357 63 I CB -1.318 36.782 38.000 0.167 0.000 1.051 63 I HN -0.102 nan 8.210 nan 0.000 0.409 64 A N 0.316 123.227 122.820 0.152 0.000 1.908 64 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 64 A C 2.371 180.029 177.584 0.122 0.000 1.181 64 A CA 1.841 53.947 52.037 0.115 0.000 0.627 64 A CB -1.174 17.880 19.000 0.090 0.000 0.818 64 A HN 0.509 nan 8.150 nan 0.000 0.445 65 Y N 0.328 120.627 120.300 -0.002 0.000 2.114 65 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 65 Y C 2.511 178.342 175.900 -0.115 0.000 1.143 65 Y CA 2.208 60.250 58.100 -0.096 0.000 1.135 65 Y CB -0.572 37.771 38.460 -0.195 0.000 0.980 65 Y HN 0.507 nan 8.280 nan 0.000 0.499 66 H N -1.201 117.840 119.070 -0.048 0.000 2.457 66 H HA -0.082 4.474 4.556 -0.000 0.000 0.294 66 H C 2.090 177.392 175.328 -0.044 0.000 1.064 66 H CA 1.663 57.653 56.048 -0.097 0.000 1.330 66 H CB -0.534 29.305 29.762 0.129 0.000 1.395 66 H HN 0.373 nan 8.280 nan 0.000 0.541 67 T N 0.889 115.503 114.554 0.100 0.000 2.746 67 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 67 T C 2.325 177.026 174.700 0.002 0.000 1.039 67 T CA 1.210 63.344 62.100 0.057 0.000 1.142 67 T CB -0.270 68.636 68.868 0.063 0.000 0.866 67 T HN 0.454 nan 8.240 nan 0.000 0.444 68 A N 0.329 123.128 122.820 -0.035 0.000 1.969 68 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 68 A C 2.666 180.199 177.584 -0.085 0.000 1.169 68 A CA 1.166 53.173 52.037 -0.050 0.000 0.635 68 A CB -1.176 17.800 19.000 -0.039 0.000 0.810 68 A HN 0.628 nan 8.150 nan 0.000 0.445 69 C N -1.329 117.872 119.300 -0.164 0.000 2.436 69 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 69 C C 2.698 177.666 174.990 -0.037 0.000 1.241 69 C CA 1.092 60.028 59.018 -0.137 0.000 1.721 69 C CB -1.273 26.347 27.740 -0.200 0.000 2.043 69 C HN 0.451 nan 8.230 nan 0.000 0.472 70 V N 1.477 121.388 119.914 -0.004 0.000 2.332 70 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 70 V C 2.696 178.791 176.094 0.002 0.000 1.055 70 V CA 2.240 64.548 62.300 0.014 0.000 1.038 70 V CB -1.248 30.585 31.823 0.017 0.000 0.651 70 V HN 0.619 nan 8.190 nan 0.000 0.450 71 A N -0.320 122.498 122.820 -0.004 0.000 2.019 71 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 71 A C 2.320 179.900 177.584 -0.006 0.000 1.164 71 A CA 1.827 53.861 52.037 -0.004 0.000 0.644 71 A CB -0.509 18.489 19.000 -0.003 0.000 0.805 71 A HN 0.469 nan 8.150 nan 0.000 0.449 72 R N -0.486 120.007 120.500 -0.011 0.000 2.189 72 R HA 0.059 4.399 4.340 -0.000 0.000 0.218 72 R C 2.063 178.359 176.300 -0.007 0.000 1.074 72 R CA 1.002 57.096 56.100 -0.010 0.000 0.991 72 R CB -0.352 29.939 30.300 -0.015 0.000 0.883 72 R HN 0.460 nan 8.270 nan 0.000 0.457 73 A N 0.327 123.144 122.820 -0.004 0.000 2.121 73 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 73 A C 0.327 177.909 177.584 -0.003 0.000 1.154 73 A CA 0.737 52.773 52.037 -0.003 0.000 0.679 73 A CB -0.178 18.824 19.000 0.004 0.000 0.795 73 A HN 0.505 nan 8.150 nan 0.000 0.458 74 Q N -0.979 118.820 119.800 -0.003 0.000 2.454 74 Q HA -0.126 4.213 4.340 -0.000 0.000 0.341 74 Q C -2.236 173.764 176.000 -0.000 0.000 1.437 74 Q CA 0.355 56.156 55.803 -0.002 0.000 0.935 74 Q CB -1.695 27.041 28.738 -0.004 0.000 1.164 74 Q HN 0.643 nan 8.270 nan 0.000 0.373 75 P HA 0.030 nan 4.420 nan 0.000 0.274 75 P C 0.005 177.307 177.300 0.002 0.000 1.237 75 P CA -0.065 63.037 63.100 0.004 0.000 0.793 75 P CB 0.729 32.432 31.700 0.005 0.000 0.977 76 R N 0.686 121.188 120.500 0.004 0.000 2.153 76 R HA 0.098 4.438 4.340 -0.000 0.000 0.218 76 R C 1.499 177.800 176.300 0.001 0.000 1.072 76 R CA 0.554 56.655 56.100 0.002 0.000 0.990 76 R CB -0.497 29.805 30.300 0.003 0.000 0.889 76 R HN 0.587 nan 8.270 nan 0.000 0.452 77 G N 1.218 110.019 108.800 0.002 0.000 2.614 77 G HA2 0.172 4.132 3.960 -0.000 0.000 0.239 77 G HA3 0.172 4.132 3.960 -0.000 0.000 0.239 77 G C -0.616 174.282 174.900 -0.003 0.000 1.240 77 G CA -0.565 44.534 45.100 -0.001 0.000 0.842 77 G HN 0.035 nan 8.290 nan 0.000 0.584 78 L N 1.244 122.464 121.223 -0.005 0.000 2.410 78 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 78 L C 0.143 177.010 176.870 -0.006 0.000 1.152 78 L CA 0.080 54.917 54.840 -0.005 0.000 0.855 78 L CB 1.293 43.348 42.059 -0.006 0.000 1.129 78 L HN 0.170 nan 8.230 nan 0.000 0.463 79 V N 6.629 126.541 119.914 -0.004 0.000 2.333 79 V HA 0.345 4.465 4.120 -0.000 0.000 0.274 79 V C -0.098 175.997 176.094 0.001 0.000 1.028 79 V CA -0.522 61.776 62.300 -0.003 0.000 0.851 79 V CB 1.252 33.076 31.823 0.001 0.000 1.000 79 V HN 0.544 nan 8.190 nan 0.000 0.456 80 V N 4.216 124.130 119.914 0.001 0.000 2.547 80 V HA 0.867 4.987 4.120 -0.000 0.000 0.299 80 V C 0.320 176.427 176.094 0.022 0.000 1.040 80 V CA -0.475 61.830 62.300 0.008 0.000 0.913 80 V CB 1.790 33.615 31.823 0.004 0.000 0.992 80 V HN 0.921 nan 8.190 nan 0.000 0.449 81 A N 2.561 125.401 122.820 0.034 0.000 2.356 81 A HA 0.690 5.010 4.320 -0.000 0.000 0.310 81 A C -0.874 176.748 177.584 0.064 0.000 1.075 81 A CA -0.653 51.418 52.037 0.058 0.000 0.746 81 A CB 1.025 20.062 19.000 0.061 0.000 1.221 81 A HN 0.739 nan 8.150 nan 0.000 0.443 82 D N 1.724 122.180 120.400 0.093 0.000 2.390 82 D HA 0.265 4.905 4.640 -0.000 0.000 0.249 82 D C 0.072 176.438 176.300 0.110 0.000 1.144 82 D CA 0.510 54.573 54.000 0.106 0.000 0.880 82 D CB 0.696 41.584 40.800 0.146 0.000 1.182 82 D HN 0.425 nan 8.370 nan 0.000 0.451 83 L N 5.532 126.807 121.223 0.087 0.000 2.418 83 L HA 0.205 4.545 4.340 -0.000 0.000 0.274 83 L C -1.755 175.288 176.870 0.288 0.000 1.135 83 L CA -1.426 53.506 54.840 0.154 0.000 0.870 83 L CB 0.412 42.524 42.059 0.088 0.000 1.154 83 L HN 0.166 nan 8.230 nan 0.000 0.462 84 P HA 0.045 nan 4.420 nan 0.000 0.276 84 P C -0.437 177.032 177.300 0.282 0.000 1.261 84 P CA -0.636 62.621 63.100 0.261 0.000 0.800 84 P CB 0.595 32.407 31.700 0.187 0.000 1.066 85 F N 0.840 120.859 119.950 0.114 0.000 2.629 85 F HA 0.265 4.792 4.527 -0.000 0.000 0.369 85 F C 1.549 177.312 175.800 -0.061 0.000 1.125 85 F CA 1.888 59.889 58.000 0.002 0.000 1.330 85 F CB -0.476 38.526 39.000 0.002 0.000 1.071 85 F HN 0.722 nan 8.300 nan 0.000 0.595 86 G N 3.202 111.368 108.800 -1.056 0.000 2.189 86 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.267 86 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.267 86 G C 0.760 175.439 174.900 -0.368 0.000 0.975 86 G CA 0.882 45.514 45.100 -0.780 0.000 0.644 86 G HN 1.381 nan 8.290 nan 0.000 0.537 87 T N -2.412 112.018 114.554 -0.206 0.000 3.122 87 T HA 0.453 4.803 4.350 -0.000 0.000 0.250 87 T C 0.870 175.656 174.700 0.142 0.000 1.067 87 T CA 0.960 63.064 62.100 0.007 0.000 0.966 87 T CB -0.172 68.764 68.868 0.113 0.000 1.002 87 T HN 1.305 nan 8.240 nan 0.000 0.542 88 Y N -1.919 118.389 120.300 0.013 0.000 2.720 88 Y HA 0.745 5.295 4.550 -0.000 0.000 0.264 88 Y C 1.258 177.230 175.900 0.120 0.000 0.989 88 Y CA -1.707 56.430 58.100 0.062 0.000 1.100 88 Y CB 0.054 38.558 38.460 0.073 0.000 1.196 88 Y HN -0.049 nan 8.280 nan 0.000 0.631 89 G N 0.835 109.629 108.800 -0.011 0.000 2.534 89 G HA2 0.162 4.121 3.960 -0.000 0.000 0.217 89 G HA3 0.162 4.121 3.960 -0.000 0.000 0.217 89 G C 0.513 175.458 174.900 0.076 0.000 1.128 89 G CA 1.118 46.211 45.100 -0.012 0.000 0.784 89 G HN 0.546 nan 8.290 nan 0.000 0.542 90 T N -4.563 110.030 114.554 0.066 0.000 2.883 90 T HA 0.557 4.907 4.350 -0.000 0.000 0.296 90 T C -2.444 172.238 174.700 -0.029 0.000 1.117 90 T CA -1.512 60.601 62.100 0.022 0.000 1.006 90 T CB 2.518 71.365 68.868 -0.035 0.000 1.191 90 T HN -0.212 nan 8.240 nan 0.000 0.508 91 P HA 0.030 nan 4.420 nan 0.000 0.216 91 P C 1.625 178.662 177.300 -0.438 0.000 1.153 91 P CA 1.513 64.357 63.100 -0.426 0.000 0.848 91 P CB -0.227 30.927 31.700 -0.910 0.000 0.787 92 A N -0.393 122.184 122.820 -0.404 0.000 1.969 92 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 92 A C 1.999 179.654 177.584 0.118 0.000 1.169 92 A CA 1.712 53.720 52.037 -0.049 0.000 0.635 92 A CB -1.241 17.758 19.000 -0.003 0.000 0.810 92 A HN 0.080 nan 8.150 nan 0.000 0.445 93 D N 0.253 120.684 120.400 0.053 0.000 2.117 93 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 93 D C 2.284 178.664 176.300 0.133 0.000 0.982 93 D CA 1.463 55.512 54.000 0.082 0.000 0.828 93 D CB -0.376 40.452 40.800 0.048 0.000 0.967 93 D HN 0.403 nan 8.370 nan 0.000 0.464 94 A N 0.575 123.491 122.820 0.161 0.000 1.908 94 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 94 A C 2.087 179.807 177.584 0.226 0.000 1.181 94 A CA 1.117 53.278 52.037 0.207 0.000 0.627 94 A CB -0.922 18.194 19.000 0.193 0.000 0.818 94 A HN 0.247 nan 8.150 nan 0.000 0.445 95 F N 0.805 120.841 119.950 0.143 0.000 2.113 95 F HA 0.043 4.570 4.527 -0.000 0.000 0.297 95 F C 2.543 178.416 175.800 0.121 0.000 1.103 95 F CA 0.944 59.052 58.000 0.180 0.000 1.248 95 F CB -0.635 38.570 39.000 0.341 0.000 0.999 95 F HN 0.246 nan 8.300 nan 0.000 0.475 96 A N -0.324 122.536 122.820 0.068 0.000 1.883 96 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 96 A C 2.366 179.913 177.584 -0.061 0.000 1.186 96 A CA 2.305 54.316 52.037 -0.043 0.000 0.624 96 A CB -1.324 17.707 19.000 0.051 0.000 0.822 96 A HN 0.454 nan 8.150 nan 0.000 0.444 97 S N -0.070 115.637 115.700 0.011 0.000 2.368 97 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 97 S C 2.316 176.910 174.600 -0.011 0.000 1.030 97 S CA 1.186 59.400 58.200 0.023 0.000 0.999 97 S CB -0.540 62.711 63.200 0.085 0.000 0.844 97 S HN 0.825 nan 8.310 nan 0.000 0.459 98 A N 1.186 123.988 122.820 -0.030 0.000 1.902 98 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 98 A C 2.350 179.863 177.584 -0.118 0.000 1.181 98 A CA 1.426 53.434 52.037 -0.048 0.000 0.623 98 A CB -0.928 18.067 19.000 -0.009 0.000 0.818 98 A HN 0.332 nan 8.150 nan 0.000 0.443 99 V N 0.137 119.897 119.914 -0.256 0.000 2.343 99 V HA -0.283 3.836 4.120 -0.000 0.000 0.247 99 V C 2.553 178.565 176.094 -0.137 0.000 1.051 99 V CA 2.460 64.590 62.300 -0.284 0.000 1.036 99 V CB -0.612 30.933 31.823 -0.463 0.000 0.654 99 V HN 0.718 nan 8.190 nan 0.000 0.451 100 K N -0.197 120.145 120.400 -0.097 0.000 2.063 100 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 100 K C 2.051 178.642 176.600 -0.015 0.000 1.048 100 K CA 1.674 57.938 56.287 -0.039 0.000 0.928 100 K CB -0.204 32.286 32.500 -0.015 0.000 0.713 100 K HN 0.406 nan 8.250 nan 0.000 0.442 101 L N 0.090 121.307 121.223 -0.011 0.000 2.109 101 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 101 L C 2.583 179.453 176.870 0.001 0.000 1.086 101 L CA 0.995 55.842 54.840 0.011 0.000 0.760 101 L CB -0.325 41.748 42.059 0.024 0.000 0.910 101 L HN 0.298 nan 8.230 nan 0.000 0.437 102 M N -0.715 118.874 119.600 -0.019 0.000 2.175 102 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 102 M C 2.408 178.699 176.300 -0.015 0.000 1.063 102 M CA 1.594 56.883 55.300 -0.018 0.000 1.119 102 M CB -0.413 32.170 32.600 -0.030 0.000 1.377 102 M HN 0.165 nan 8.290 nan 0.000 0.415 103 R N 0.243 120.729 120.500 -0.022 0.000 2.127 103 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 103 R C 2.144 178.443 176.300 -0.002 0.000 1.134 103 R CA 1.463 57.556 56.100 -0.013 0.000 0.975 103 R CB -0.510 29.781 30.300 -0.016 0.000 0.865 103 R HN 0.365 nan 8.270 nan 0.000 0.447 104 A N -0.219 122.604 122.820 0.004 0.000 2.119 104 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 104 A C 1.533 179.121 177.584 0.008 0.000 1.152 104 A CA 1.303 53.347 52.037 0.011 0.000 0.708 104 A CB 0.135 19.150 19.000 0.024 0.000 0.805 104 A HN 0.487 nan 8.150 nan 0.000 0.460 105 G N -2.739 106.064 108.800 0.006 0.000 2.425 105 G HA2 0.253 4.213 3.960 -0.000 0.000 0.177 105 G HA3 0.253 4.213 3.960 -0.000 0.000 0.177 105 G C 0.366 175.270 174.900 0.007 0.000 0.999 105 G CA -0.019 45.084 45.100 0.005 0.000 0.723 105 G HN 1.328 nan 8.290 nan 0.000 0.491 106 A N 0.314 123.140 122.820 0.010 0.000 2.511 106 A HA 0.598 4.918 4.320 -0.000 0.000 0.242 106 A C 1.102 178.689 177.584 0.006 0.000 1.069 106 A CA 1.152 53.196 52.037 0.011 0.000 0.763 106 A CB 0.305 19.315 19.000 0.016 0.000 1.001 106 A HN 0.454 nan 8.150 nan 0.000 0.498 107 Q N 0.702 120.505 119.800 0.005 0.000 2.392 107 Q HA 0.306 4.646 4.340 -0.000 0.000 0.219 107 Q C 0.303 176.306 176.000 0.005 0.000 0.895 107 Q CA 0.478 56.284 55.803 0.004 0.000 0.929 107 Q CB 0.483 29.222 28.738 0.002 0.000 1.077 107 Q HN 0.845 nan 8.270 nan 0.000 0.532 108 M N 0.575 120.178 119.600 0.006 0.000 2.569 108 M HA 0.433 4.913 4.480 -0.000 0.000 0.279 108 M C -1.865 174.439 176.300 0.006 0.000 1.253 108 M CA -1.009 54.294 55.300 0.005 0.000 0.867 108 M CB 2.427 35.028 32.600 0.001 0.000 1.727 108 M HN -0.107 nan 8.290 nan 0.000 0.467 109 V N 0.423 120.338 119.914 0.002 0.000 2.769 109 V HA 0.730 4.849 4.120 -0.000 0.000 0.312 109 V C -1.335 174.748 176.094 -0.018 0.000 1.061 109 V CA -0.738 61.561 62.300 -0.002 0.000 0.931 109 V CB 1.807 33.628 31.823 -0.004 0.000 1.010 109 V HN 0.968 nan 8.190 nan 0.000 0.433 110 K N 3.354 123.747 120.400 -0.010 0.000 2.274 110 K HA 0.760 5.080 4.320 -0.000 0.000 0.262 110 K C -1.790 174.767 176.600 -0.073 0.000 0.961 110 K CA -0.682 55.599 56.287 -0.009 0.000 0.833 110 K CB 1.552 34.086 32.500 0.057 0.000 1.102 110 K HN 0.738 nan 8.250 nan 0.000 0.436 111 L N 3.385 124.512 121.223 -0.161 0.000 2.333 111 L HA 0.372 4.712 4.340 -0.000 0.000 0.280 111 L C -0.329 176.435 176.870 -0.176 0.000 1.004 111 L CA -0.328 54.269 54.840 -0.406 0.000 0.820 111 L CB 1.755 43.424 42.059 -0.650 0.000 1.247 111 L HN 0.672 nan 8.230 nan 0.000 0.416 112 E N 1.978 122.156 120.200 -0.037 0.000 2.200 112 E HA 0.662 5.012 4.350 -0.000 0.000 0.283 112 E C -0.240 176.486 176.600 0.210 0.000 1.015 112 E CA -0.217 56.228 56.400 0.075 0.000 0.819 112 E CB 1.007 30.686 29.700 -0.034 0.000 1.081 112 E HN 0.784 nan 8.360 nan 0.000 0.397 113 G N 1.946 110.827 108.800 0.136 0.000 2.350 113 G HA2 0.314 4.274 3.960 -0.000 0.000 0.304 113 G HA3 0.314 4.274 3.960 -0.000 0.000 0.304 113 G C -0.305 174.618 174.900 0.039 0.000 1.421 113 G CA -0.483 44.734 45.100 0.195 0.000 0.934 113 G HN 0.686 nan 8.290 nan 0.000 0.632 114 G N -0.966 107.902 108.800 0.113 0.000 2.582 114 G HA2 0.520 4.480 3.960 -0.000 0.000 0.232 114 G HA3 0.520 4.480 3.960 -0.000 0.000 0.232 114 G C 1.061 175.926 174.900 -0.059 0.000 1.458 114 G CA 0.724 45.864 45.100 0.067 0.000 1.062 114 G HN 1.149 nan 8.290 nan 0.000 0.566 115 E N -0.286 119.935 120.200 0.034 0.000 2.333 115 E HA -0.158 4.191 4.350 -0.000 0.000 0.198 115 E C 1.878 178.495 176.600 0.028 0.000 1.007 115 E CA 1.370 57.776 56.400 0.010 0.000 0.845 115 E CB -0.375 29.355 29.700 0.050 0.000 0.766 115 E HN 0.751 nan 8.360 nan 0.000 0.507 116 W N 1.506 122.836 121.300 0.049 0.000 2.387 116 W HA -0.112 4.547 4.660 -0.000 0.000 0.272 116 W C 1.061 177.615 176.519 0.057 0.000 1.224 116 W CA 0.285 57.659 57.345 0.048 0.000 1.210 116 W CB -0.595 28.894 29.460 0.048 0.000 1.125 116 W HN 0.063 nan 8.180 nan 0.000 0.572 117 L N 1.459 122.181 121.223 -0.834 0.000 2.552 117 L HA -0.003 4.337 4.340 -0.000 0.000 0.227 117 L C 2.924 179.597 176.870 -0.329 0.000 1.146 117 L CA 0.633 54.961 54.840 -0.853 0.000 0.858 117 L CB -0.709 40.849 42.059 -0.835 0.000 0.969 117 L HN -0.003 nan 8.230 nan 0.000 0.451 118 A N -0.037 122.679 122.820 -0.173 0.000 1.883 118 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 118 A C 2.267 179.826 177.584 -0.042 0.000 1.186 118 A CA 1.757 53.744 52.037 -0.083 0.000 0.624 118 A CB -0.446 18.535 19.000 -0.032 0.000 0.822 118 A HN 0.401 nan 8.150 nan 0.000 0.444 119 E N -0.682 119.510 120.200 -0.013 0.000 2.118 119 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 119 E C 2.019 178.643 176.600 0.040 0.000 0.992 119 E CA 1.815 58.232 56.400 0.028 0.000 0.804 119 E CB -0.198 29.529 29.700 0.045 0.000 0.741 119 E HN 0.593 nan 8.360 nan 0.000 0.458 120 T N 0.475 115.018 114.554 -0.018 0.000 2.777 120 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 120 T C 2.017 176.743 174.700 0.044 0.000 1.040 120 T CA 1.201 63.301 62.100 -0.000 0.000 1.141 120 T CB -0.153 68.675 68.868 -0.067 0.000 0.868 120 T HN 0.016 nan 8.240 nan 0.000 0.444 121 V N 1.410 121.307 119.914 -0.028 0.000 2.295 121 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 121 V C 2.581 178.696 176.094 0.035 0.000 1.049 121 V CA 1.833 64.123 62.300 -0.016 0.000 1.024 121 V CB -0.592 31.196 31.823 -0.058 0.000 0.648 121 V HN 0.329 nan 8.190 nan 0.000 0.447 122 R N -0.712 119.814 120.500 0.044 0.000 2.091 122 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 122 R C 2.200 178.543 176.300 0.071 0.000 1.136 122 R CA 1.986 58.114 56.100 0.046 0.000 0.959 122 R CB -0.418 29.910 30.300 0.046 0.000 0.856 122 R HN 0.497 nan 8.270 nan 0.000 0.437 123 F N 0.582 120.508 119.950 -0.040 0.000 2.146 123 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 123 F C 1.680 177.436 175.800 -0.073 0.000 1.096 123 F CA 1.390 59.351 58.000 -0.065 0.000 1.275 123 F CB -0.025 38.948 39.000 -0.045 0.000 1.008 123 F HN -0.016 nan 8.300 nan 0.000 0.480 124 L N -0.829 120.519 121.223 0.208 0.000 2.027 124 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 124 L C 2.332 179.241 176.870 0.065 0.000 1.074 124 L CA 0.953 55.905 54.840 0.186 0.000 0.745 124 L CB -0.863 41.319 42.059 0.204 0.000 0.898 124 L HN -0.022 nan 8.230 nan 0.000 0.433 125 V N -0.020 119.913 119.914 0.030 0.000 2.427 125 V HA -0.283 3.836 4.120 -0.000 0.000 0.248 125 V C 2.441 178.513 176.094 -0.038 0.000 1.051 125 V CA 1.888 64.189 62.300 0.003 0.000 1.048 125 V CB -0.499 31.323 31.823 -0.002 0.000 0.666 125 V HN 0.509 nan 8.190 nan 0.000 0.456 126 E N 0.456 120.605 120.200 -0.086 0.000 2.160 126 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 126 E C 1.966 178.460 176.600 -0.177 0.000 0.991 126 E CA 1.109 57.425 56.400 -0.140 0.000 0.810 126 E CB 0.022 29.603 29.700 -0.198 0.000 0.742 126 E HN 0.530 nan 8.360 nan 0.000 0.466 127 R N -0.758 119.618 120.500 -0.208 0.000 2.426 127 R HA 0.289 4.629 4.340 -0.000 0.000 0.263 127 R C 0.286 176.605 176.300 0.031 0.000 0.961 127 R CA 0.490 56.481 56.100 -0.182 0.000 1.086 127 R CB 0.692 30.674 30.300 -0.529 0.000 1.186 127 R HN 0.193 nan 8.270 nan 0.000 0.537 128 A N -0.178 122.651 122.820 0.016 0.000 2.905 128 A HA -0.143 4.177 4.320 -0.000 0.000 0.260 128 A C 0.095 177.724 177.584 0.075 0.000 1.398 128 A CA 0.541 52.603 52.037 0.040 0.000 0.840 128 A CB -1.962 17.058 19.000 0.034 0.000 1.059 128 A HN 0.110 nan 8.150 nan 0.000 0.647 129 V N 1.580 121.557 119.914 0.105 0.000 2.334 129 V HA 0.396 4.516 4.120 -0.000 0.000 0.267 129 V C -2.001 174.126 176.094 0.055 0.000 1.040 129 V CA -1.302 61.057 62.300 0.098 0.000 0.866 129 V CB 1.225 33.150 31.823 0.171 0.000 1.019 129 V HN 0.368 nan 8.190 nan 0.000 0.468 130 P HA 0.209 nan 4.420 nan 0.000 0.271 130 P C -0.710 176.595 177.300 0.008 0.000 1.216 130 P CA 0.054 63.163 63.100 0.014 0.000 0.771 130 P CB 0.854 32.558 31.700 0.008 0.000 0.864 131 V N 3.903 123.816 119.914 -0.002 0.000 2.495 131 V HA 0.246 4.366 4.120 -0.000 0.000 0.298 131 V C 0.016 176.096 176.094 -0.022 0.000 1.031 131 V CA -0.546 61.745 62.300 -0.016 0.000 0.871 131 V CB 2.020 33.829 31.823 -0.024 0.000 0.988 131 V HN 0.663 nan 8.190 nan 0.000 0.432 132 C N 5.720 125.006 119.300 -0.024 0.000 2.285 132 C HA 0.807 5.267 4.460 -0.000 0.000 0.335 132 C C 0.913 175.890 174.990 -0.023 0.000 1.267 132 C CA -0.390 58.615 59.018 -0.022 0.000 1.762 132 C CB -0.410 27.322 27.740 -0.014 0.000 2.365 132 C HN 1.046 nan 8.230 nan 0.000 0.527 133 A N 4.483 127.290 122.820 -0.020 0.000 2.257 133 A HA 0.619 4.939 4.320 -0.000 0.000 0.289 133 A C -0.605 177.017 177.584 0.062 0.000 1.095 133 A CA -0.124 51.910 52.037 -0.005 0.000 0.836 133 A CB 0.301 19.289 19.000 -0.020 0.000 1.111 133 A HN 1.044 nan 8.150 nan 0.000 0.497 134 H N -0.918 118.137 119.070 -0.024 0.000 3.224 134 H HA 0.492 5.048 4.556 -0.000 0.000 0.331 134 H C -1.163 174.183 175.328 0.030 0.000 1.002 134 H CA -0.601 55.453 56.048 0.010 0.000 1.473 134 H CB 1.275 31.055 29.762 0.029 0.000 1.830 134 H HN 0.766 nan 8.280 nan 0.000 0.485 135 V N 2.325 122.411 119.914 0.287 0.000 3.141 135 V HA 1.055 5.174 4.120 -0.000 0.000 0.312 135 V C -0.005 176.205 176.094 0.193 0.000 1.157 135 V CA 0.015 62.430 62.300 0.192 0.000 1.041 135 V CB 1.626 33.507 31.823 0.096 0.000 1.071 135 V HN 0.957 nan 8.190 nan 0.000 0.441 157 G N 0.403 109.227 108.800 0.039 0.000 2.404 157 G HA2 0.187 4.146 3.960 -0.000 0.000 0.215 157 G HA3 0.187 4.146 3.960 -0.000 0.000 0.215 157 G C 1.754 176.680 174.900 0.044 0.000 1.174 157 G CA 2.162 47.290 45.100 0.047 0.000 0.780 157 G HN 1.440 nan 8.290 nan 0.000 0.537 158 A N 1.381 124.224 122.820 0.039 0.000 1.915 158 A HA -0.000 4.319 4.320 -0.000 0.000 0.220 158 A C 2.820 180.418 177.584 0.024 0.000 1.198 158 A CA 2.907 54.961 52.037 0.028 0.000 0.647 158 A CB -0.980 18.033 19.000 0.022 0.000 0.825 158 A HN 0.942 nan 8.150 nan 0.000 0.456 159 A N -1.532 121.303 122.820 0.025 0.000 1.898 159 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 159 A C 2.157 179.758 177.584 0.028 0.000 1.181 159 A CA 2.139 54.190 52.037 0.023 0.000 0.620 159 A CB -0.498 18.515 19.000 0.022 0.000 0.819 159 A HN 0.558 nan 8.150 nan 0.000 0.442 160 Q N -0.615 119.206 119.800 0.036 0.000 2.119 160 Q HA -0.099 4.240 4.340 -0.000 0.000 0.201 160 Q C 1.836 177.863 176.000 0.045 0.000 0.972 160 Q CA 1.565 57.395 55.803 0.044 0.000 0.847 160 Q CB -0.513 28.257 28.738 0.053 0.000 0.903 160 Q HN 0.522 nan 8.270 nan 0.000 0.433 161 L N -0.326 120.922 121.223 0.043 0.000 2.012 161 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 161 L C 1.969 178.855 176.870 0.027 0.000 1.073 161 L CA 1.674 56.538 54.840 0.040 0.000 0.748 161 L CB -0.955 41.125 42.059 0.035 0.000 0.891 161 L HN 0.412 nan 8.230 nan 0.000 0.431 162 L N -0.157 121.077 121.223 0.019 0.000 2.046 162 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 162 L C 2.756 179.634 176.870 0.013 0.000 1.077 162 L CA 1.832 56.678 54.840 0.010 0.000 0.747 162 L CB -0.968 41.094 42.059 0.006 0.000 0.896 162 L HN 0.383 nan 8.230 nan 0.000 0.432 163 R N -0.691 119.821 120.500 0.020 0.000 2.096 163 R HA -0.162 4.177 4.340 -0.000 0.000 0.235 163 R C 1.871 178.185 176.300 0.023 0.000 1.127 163 R CA 1.650 57.763 56.100 0.022 0.000 0.968 163 R CB -0.116 30.202 30.300 0.029 0.000 0.861 163 R HN 0.402 nan 8.270 nan 0.000 0.440 164 D N 0.161 120.579 120.400 0.030 0.000 2.097 164 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 164 D C 1.723 178.029 176.300 0.010 0.000 0.989 164 D CA 1.542 55.559 54.000 0.028 0.000 0.827 164 D CB -0.304 40.524 40.800 0.047 0.000 0.966 164 D HN 0.355 nan 8.370 nan 0.000 0.456 165 A N 1.137 123.963 122.820 0.010 0.000 1.858 165 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 165 A C 2.207 179.788 177.584 -0.006 0.000 1.190 165 A CA 1.372 53.409 52.037 0.000 0.000 0.617 165 A CB -0.494 18.505 19.000 -0.001 0.000 0.827 165 A HN 0.102 nan 8.150 nan 0.000 0.443 166 R N -0.704 119.794 120.500 -0.003 0.000 2.120 166 R HA -0.063 4.276 4.340 -0.000 0.000 0.234 166 R C 2.441 178.737 176.300 -0.006 0.000 1.123 166 R CA 1.051 57.148 56.100 -0.004 0.000 0.975 166 R CB -0.426 29.874 30.300 -0.001 0.000 0.866 166 R HN 0.537 nan 8.270 nan 0.000 0.446 167 A N 0.883 123.701 122.820 -0.004 0.000 1.902 167 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 167 A C 2.312 179.883 177.584 -0.022 0.000 1.181 167 A CA 1.815 53.848 52.037 -0.008 0.000 0.623 167 A CB -0.567 18.432 19.000 -0.002 0.000 0.818 167 A HN 0.272 nan 8.150 nan 0.000 0.443 168 V N -1.955 117.940 119.914 -0.031 0.000 2.591 168 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 168 V C 2.112 178.186 176.094 -0.033 0.000 1.053 168 V CA 2.069 64.342 62.300 -0.045 0.000 1.068 168 V CB -0.782 31.007 31.823 -0.058 0.000 0.689 168 V HN 0.667 nan 8.190 nan 0.000 0.462 169 E N 1.895 122.081 120.200 -0.024 0.000 2.031 169 E HA -0.318 4.032 4.350 -0.000 0.000 0.193 169 E C 2.263 178.853 176.600 -0.016 0.000 0.994 169 E CA 2.013 58.401 56.400 -0.019 0.000 0.800 169 E CB -0.338 29.352 29.700 -0.016 0.000 0.752 169 E HN 0.918 nan 8.360 nan 0.000 0.447 170 E N 0.144 120.336 120.200 -0.013 0.000 2.204 170 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 170 E C 1.867 178.461 176.600 -0.010 0.000 0.990 170 E CA 0.956 57.350 56.400 -0.010 0.000 0.821 170 E CB -0.222 29.474 29.700 -0.006 0.000 0.750 170 E HN 0.285 nan 8.360 nan 0.000 0.477 171 A N 0.973 123.785 122.820 -0.014 0.000 2.168 171 A HA 0.224 4.544 4.320 -0.000 0.000 0.215 171 A C 1.900 179.477 177.584 -0.012 0.000 1.152 171 A CA 1.003 53.032 52.037 -0.013 0.000 0.716 171 A CB -0.362 18.625 19.000 -0.021 0.000 0.794 171 A HN 0.587 nan 8.150 nan 0.000 0.465 172 G N -2.794 105.997 108.800 -0.015 0.000 2.183 172 G HA2 0.235 4.195 3.960 -0.000 0.000 0.168 172 G HA3 0.235 4.195 3.960 -0.000 0.000 0.168 172 G C 0.287 175.177 174.900 -0.016 0.000 1.008 172 G CA -0.007 45.085 45.100 -0.014 0.000 0.677 172 G HN 1.395 nan 8.290 nan 0.000 0.498 173 A N -0.004 122.803 122.820 -0.022 0.000 2.462 173 A HA 0.629 4.949 4.320 -0.000 0.000 0.243 173 A C 0.987 178.559 177.584 -0.020 0.000 1.076 173 A CA 0.932 52.955 52.037 -0.024 0.000 0.773 173 A CB 0.323 19.304 19.000 -0.032 0.000 1.010 173 A HN 0.458 nan 8.150 nan 0.000 0.493 174 Q N -0.074 119.715 119.800 -0.018 0.000 2.247 174 Q HA 0.381 4.721 4.340 -0.000 0.000 0.211 174 Q C -0.922 175.066 176.000 -0.020 0.000 0.861 174 Q CA 0.021 55.813 55.803 -0.017 0.000 0.949 174 Q CB 0.606 29.336 28.738 -0.014 0.000 1.115 174 Q HN 0.598 nan 8.270 nan 0.000 0.507 175 L N 0.093 121.302 121.223 -0.023 0.000 2.556 175 L HA 0.571 4.911 4.340 -0.000 0.000 0.257 175 L C -2.098 174.752 176.870 -0.033 0.000 0.955 175 L CA -0.746 54.078 54.840 -0.028 0.000 0.850 175 L CB 2.333 44.377 42.059 -0.026 0.000 1.398 175 L HN 0.008 nan 8.230 nan 0.000 0.412 176 I N 3.293 123.838 120.570 -0.041 0.000 2.607 176 I HA 0.584 4.754 4.170 -0.000 0.000 0.290 176 I C -1.342 174.727 176.117 -0.081 0.000 1.129 176 I CA -0.695 60.576 61.300 -0.047 0.000 1.042 176 I CB 2.056 40.036 38.000 -0.033 0.000 1.242 176 I HN 0.372 nan 8.210 nan 0.000 0.421 177 V N 7.806 127.638 119.914 -0.136 0.000 2.509 177 V HA 0.388 4.508 4.120 -0.000 0.000 0.284 177 V C -0.110 175.863 176.094 -0.203 0.000 1.047 177 V CA -0.360 61.794 62.300 -0.245 0.000 0.952 177 V CB 1.498 33.009 31.823 -0.520 0.000 0.988 177 V HN 0.478 nan 8.190 nan 0.000 0.469 178 L N 5.033 126.166 121.223 -0.150 0.000 2.325 178 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 178 L C -0.187 176.627 176.870 -0.094 0.000 1.004 178 L CA -0.256 54.532 54.840 -0.086 0.000 0.823 178 L CB 1.603 43.612 42.059 -0.084 0.000 1.236 178 L HN 0.652 nan 8.230 nan 0.000 0.415 179 E N 3.498 123.695 120.200 -0.004 0.000 2.187 179 E HA 0.606 4.955 4.350 -0.000 0.000 0.268 179 E C -0.241 176.377 176.600 0.031 0.000 0.896 179 E CA -0.577 55.841 56.400 0.030 0.000 0.766 179 E CB 1.786 31.636 29.700 0.249 0.000 1.142 179 E HN 0.742 nan 8.360 nan 0.000 0.408 180 A N 2.313 125.065 122.820 -0.113 0.000 2.237 180 A HA -0.107 4.213 4.320 -0.000 0.000 0.281 180 A C -0.978 176.692 177.584 0.143 0.000 1.414 180 A CA 0.778 52.862 52.037 0.079 0.000 0.733 180 A CB -1.731 17.526 19.000 0.427 0.000 1.168 180 A HN 0.350 nan 8.150 nan 0.000 0.347 181 V N 2.891 122.634 119.914 -0.285 0.000 2.760 181 V HA 0.576 4.696 4.120 -0.000 0.000 0.309 181 V C -2.322 173.282 176.094 -0.816 0.000 1.077 181 V CA -1.564 60.538 62.300 -0.330 0.000 0.910 181 V CB 2.481 34.197 31.823 -0.178 0.000 1.008 181 V HN 0.493 nan 8.190 nan 0.000 0.424 182 P HA 0.126 nan 4.420 nan 0.000 0.265 182 P C 0.998 178.075 177.300 -0.371 0.000 1.193 182 P CA 0.256 63.007 63.100 -0.582 0.000 0.765 182 P CB 0.483 32.102 31.700 -0.136 0.000 0.823 183 T N 2.381 116.735 114.554 -0.333 0.000 2.685 183 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 183 T C 1.622 176.235 174.700 -0.145 0.000 1.034 183 T CA 1.490 63.458 62.100 -0.221 0.000 1.149 183 T CB -0.633 68.140 68.868 -0.157 0.000 0.860 183 T HN 0.357 nan 8.240 nan 0.000 0.449 184 L N 0.436 121.593 121.223 -0.109 0.000 2.217 184 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 184 L C 2.576 179.407 176.870 -0.065 0.000 1.107 184 L CA 0.505 55.303 54.840 -0.070 0.000 0.783 184 L CB -0.472 41.561 42.059 -0.044 0.000 0.919 184 L HN 0.169 nan 8.230 nan 0.000 0.442 185 V N 0.087 119.954 119.914 -0.078 0.000 2.379 185 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 185 V C 2.757 178.808 176.094 -0.072 0.000 1.044 185 V CA 1.667 63.931 62.300 -0.061 0.000 1.036 185 V CB -0.718 31.074 31.823 -0.052 0.000 0.664 185 V HN 0.443 nan 8.190 nan 0.000 0.453 186 A N 0.128 122.883 122.820 -0.108 0.000 1.933 186 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 186 A C 2.415 179.950 177.584 -0.082 0.000 1.175 186 A CA 2.085 54.059 52.037 -0.106 0.000 0.628 186 A CB -0.720 18.190 19.000 -0.150 0.000 0.814 186 A HN 0.560 nan 8.150 nan 0.000 0.444 187 A N -0.344 122.429 122.820 -0.078 0.000 1.877 187 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 187 A C 2.032 179.588 177.584 -0.046 0.000 1.186 187 A CA 1.858 53.859 52.037 -0.060 0.000 0.620 187 A CB -0.593 18.374 19.000 -0.056 0.000 0.822 187 A HN 0.659 nan 8.150 nan 0.000 0.443 188 E N -0.344 119.831 120.200 -0.041 0.000 2.058 188 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 188 E C 1.912 178.495 176.600 -0.028 0.000 0.997 188 E CA 1.523 57.905 56.400 -0.030 0.000 0.801 188 E CB -0.155 29.530 29.700 -0.025 0.000 0.746 188 E HN 0.307 nan 8.360 nan 0.000 0.450 189 V N 0.597 120.491 119.914 -0.033 0.000 2.295 189 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 189 V C 2.388 178.464 176.094 -0.030 0.000 1.049 189 V CA 2.244 64.526 62.300 -0.029 0.000 1.024 189 V CB -0.777 31.027 31.823 -0.032 0.000 0.648 189 V HN 0.395 nan 8.190 nan 0.000 0.447 190 T N -0.669 113.862 114.554 -0.038 0.000 2.746 190 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 190 T C 2.086 176.768 174.700 -0.030 0.000 1.039 190 T CA 1.411 63.488 62.100 -0.037 0.000 1.142 190 T CB -0.233 68.608 68.868 -0.044 0.000 0.866 190 T HN 0.372 nan 8.240 nan 0.000 0.444 191 R N 0.686 121.169 120.500 -0.028 0.000 2.081 191 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 191 R C 2.467 178.755 176.300 -0.019 0.000 1.131 191 R CA 1.016 57.102 56.100 -0.023 0.000 0.960 191 R CB -0.096 30.191 30.300 -0.022 0.000 0.856 191 R HN 0.344 nan 8.270 nan 0.000 0.436 192 E N 0.355 120.544 120.200 -0.018 0.000 2.268 192 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 192 E C 0.306 176.898 176.600 -0.014 0.000 0.995 192 E CA 0.596 56.987 56.400 -0.014 0.000 0.836 192 E CB 0.023 29.716 29.700 -0.012 0.000 0.763 192 E HN 0.059 nan 8.360 nan 0.000 0.491 193 L N -0.142 121.071 121.223 -0.017 0.000 2.416 193 L HA 0.115 4.455 4.340 -0.000 0.000 0.262 193 L C 1.456 178.316 176.870 -0.017 0.000 1.093 193 L CA 0.262 55.091 54.840 -0.017 0.000 0.801 193 L CB 1.530 43.577 42.059 -0.020 0.000 1.191 193 L HN -0.235 nan 8.230 nan 0.000 0.459 194 S N 0.622 116.312 115.700 -0.016 0.000 2.441 194 S HA 0.206 4.676 4.470 -0.000 0.000 0.224 194 S C 0.711 175.301 174.600 -0.018 0.000 1.043 194 S CA 0.016 58.207 58.200 -0.016 0.000 0.948 194 S CB -0.243 62.949 63.200 -0.014 0.000 0.810 194 S HN 0.547 nan 8.310 nan 0.000 0.504 195 I N 0.720 121.279 120.570 -0.019 0.000 2.945 195 I HA 0.384 4.553 4.170 -0.000 0.000 0.292 195 I C -3.022 173.081 176.117 -0.024 0.000 1.093 195 I CA -2.534 58.754 61.300 -0.021 0.000 1.336 195 I CB 0.026 38.013 38.000 -0.021 0.000 1.435 195 I HN -0.156 nan 8.210 nan 0.000 0.593 196 P HA 0.178 nan 4.420 nan 0.000 0.276 196 P C -0.765 176.514 177.300 -0.035 0.000 1.230 196 P CA -0.181 62.901 63.100 -0.030 0.000 0.776 196 P CB 0.885 32.569 31.700 -0.028 0.000 0.888 197 T N 0.832 115.362 114.554 -0.040 0.000 2.867 197 T HA 0.632 4.982 4.350 -0.000 0.000 0.282 197 T C -0.079 174.589 174.700 -0.053 0.000 1.000 197 T CA -0.705 61.365 62.100 -0.049 0.000 1.042 197 T CB 0.476 69.312 68.868 -0.053 0.000 0.973 197 T HN 0.105 nan 8.240 nan 0.000 0.465 198 I N 2.521 123.052 120.570 -0.064 0.000 2.410 198 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 198 I C 0.833 176.904 176.117 -0.077 0.000 1.009 198 I CA -0.518 60.746 61.300 -0.059 0.000 1.111 198 I CB 1.055 39.021 38.000 -0.056 0.000 1.262 198 I HN 1.006 nan 8.210 nan 0.000 0.443 199 G N 6.588 115.350 108.800 -0.063 0.000 2.372 199 G HA2 0.614 4.574 3.960 -0.000 0.000 0.283 199 G HA3 0.614 4.574 3.960 -0.000 0.000 0.283 199 G C -0.792 174.071 174.900 -0.061 0.000 1.177 199 G CA -0.342 44.704 45.100 -0.090 0.000 0.842 199 G HN 0.591 nan 8.290 nan 0.000 0.503 200 I N 1.632 122.137 120.570 -0.109 0.000 2.468 200 I HA 0.501 4.670 4.170 -0.000 0.000 0.284 200 I C 0.811 176.699 176.117 -0.382 0.000 1.038 200 I CA 0.049 61.292 61.300 -0.094 0.000 1.083 200 I CB 1.154 39.174 38.000 0.034 0.000 1.223 200 I HN 0.979 nan 8.210 nan 0.000 0.443 201 G N 4.912 113.357 108.800 -0.593 0.000 2.225 201 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 201 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 201 G C 0.473 174.941 174.900 -0.721 0.000 1.024 201 G CA 0.458 44.797 45.100 -1.269 0.000 0.784 201 G HN 1.144 nan 8.290 nan 0.000 0.507 202 A N -0.713 121.842 122.820 -0.441 0.000 2.538 202 A HA 0.745 5.065 4.320 -0.000 0.000 0.269 202 A C 1.827 179.229 177.584 -0.304 0.000 1.231 202 A CA 1.295 53.106 52.037 -0.376 0.000 0.948 202 A CB 0.011 18.855 19.000 -0.260 0.000 1.110 202 A HN 2.553 nan 8.150 nan 0.000 0.529 203 G N -1.322 107.312 108.800 -0.277 0.000 2.782 203 G HA2 0.198 4.158 3.960 -0.000 0.000 0.228 203 G HA3 0.198 4.158 3.960 -0.000 0.000 0.228 203 G C 0.764 175.559 174.900 -0.175 0.000 1.372 203 G CA -0.305 44.669 45.100 -0.210 0.000 0.862 203 G HN 1.490 nan 8.290 nan 0.000 0.547 204 A N -0.961 121.775 122.820 -0.139 0.000 2.275 204 A HA 0.451 4.771 4.320 -0.000 0.000 0.212 204 A C 1.253 178.787 177.584 -0.082 0.000 1.201 204 A CA 1.359 53.331 52.037 -0.108 0.000 0.843 204 A CB 0.004 18.951 19.000 -0.088 0.000 0.873 204 A HN 0.522 nan 8.150 nan 0.000 0.492 205 E N 0.223 120.371 120.200 -0.087 0.000 2.320 205 E HA 0.182 4.532 4.350 -0.000 0.000 0.234 205 E C -0.578 175.980 176.600 -0.070 0.000 1.290 205 E CA -0.008 56.350 56.400 -0.070 0.000 1.545 205 E CB -0.684 28.976 29.700 -0.067 0.000 1.379 205 E HN 0.468 nan 8.360 nan 0.000 0.437 206 C N -0.246 119.011 119.300 -0.071 0.000 2.470 206 C HA 0.262 4.722 4.460 -0.000 0.000 0.341 206 C C 1.972 176.932 174.990 -0.051 0.000 1.190 206 C CA -0.539 58.441 59.018 -0.065 0.000 1.904 206 C CB 1.623 29.319 27.740 -0.073 0.000 2.354 206 C HN 0.379 nan 8.230 nan 0.000 0.509 207 S N 0.464 116.137 115.700 -0.045 0.000 2.547 207 S HA 0.266 4.736 4.470 -0.000 0.000 0.235 207 S C 0.702 175.279 174.600 -0.038 0.000 0.980 207 S CA 0.793 58.969 58.200 -0.039 0.000 0.941 207 S CB -0.257 62.922 63.200 -0.035 0.000 0.763 207 S HN 1.180 nan 8.310 nan 0.000 0.532 208 G N -0.106 108.672 108.800 -0.038 0.000 2.342 208 G HA2 0.493 4.453 3.960 -0.000 0.000 0.297 208 G HA3 0.493 4.453 3.960 -0.000 0.000 0.297 208 G C -2.385 172.509 174.900 -0.010 0.000 1.313 208 G CA -0.818 44.264 45.100 -0.030 0.000 0.830 208 G HN -0.064 nan 8.290 nan 0.000 0.506 209 Q N -0.802 119.013 119.800 0.025 0.000 2.372 209 Q HA 0.678 5.018 4.340 -0.000 0.000 0.273 209 Q C -1.212 174.887 176.000 0.165 0.000 1.078 209 Q CA -0.844 55.023 55.803 0.107 0.000 0.806 209 Q CB 2.753 31.614 28.738 0.205 0.000 1.332 209 Q HN 0.766 nan 8.270 nan 0.000 0.435 210 V N 3.288 123.294 119.914 0.153 0.000 2.680 210 V HA 0.653 4.773 4.120 -0.000 0.000 0.309 210 V C -1.161 175.024 176.094 0.153 0.000 1.052 210 V CA -0.535 61.846 62.300 0.136 0.000 0.908 210 V CB 1.689 33.540 31.823 0.046 0.000 1.001 210 V HN 0.659 nan 8.190 nan 0.000 0.431 211 L N 5.188 126.439 121.223 0.046 0.000 2.350 211 L HA 0.618 4.958 4.340 -0.000 0.000 0.260 211 L C -0.705 176.143 176.870 -0.036 0.000 1.015 211 L CA -1.191 53.654 54.840 0.008 0.000 0.821 211 L CB 2.386 44.380 42.059 -0.107 0.000 1.370 211 L HN 0.347 nan 8.230 nan 0.000 0.416 212 V N 2.454 122.393 119.914 0.042 0.000 2.470 212 V HA -0.048 4.072 4.120 -0.000 0.000 0.276 212 V C 1.163 177.277 176.094 0.033 0.000 1.040 212 V CA -0.114 62.232 62.300 0.077 0.000 1.008 212 V CB 1.079 32.994 31.823 0.152 0.000 0.990 212 V HN 0.613 nan 8.190 nan 0.000 0.477 213 L N 5.289 126.510 121.223 -0.004 0.000 1.991 213 L HA -0.247 4.093 4.340 -0.000 0.000 0.221 213 L C 2.206 179.010 176.870 -0.111 0.000 1.079 213 L CA 2.470 57.233 54.840 -0.127 0.000 0.778 213 L CB -0.817 41.106 42.059 -0.227 0.000 0.893 213 L HN 0.845 nan 8.230 nan 0.000 0.437 214 H N -0.728 118.318 119.070 -0.039 0.000 2.423 214 H HA -0.104 4.451 4.556 -0.000 0.000 0.297 214 H C 1.974 177.337 175.328 0.058 0.000 1.075 214 H CA 1.324 57.353 56.048 -0.031 0.000 1.342 214 H CB -0.404 29.349 29.762 -0.016 0.000 1.395 214 H HN 0.445 nan 8.280 nan 0.000 0.530 215 D N 0.518 121.065 120.400 0.245 0.000 2.087 215 D HA -0.144 4.495 4.640 -0.000 0.000 0.192 215 D C 2.153 178.625 176.300 0.287 0.000 0.993 215 D CA 1.721 55.922 54.000 0.335 0.000 0.828 215 D CB -0.335 40.590 40.800 0.208 0.000 0.968 215 D HN 0.460 nan 8.370 nan 0.000 0.448 216 M N -0.704 118.964 119.600 0.112 0.000 2.460 216 M HA 0.015 4.494 4.480 -0.000 0.000 0.263 216 M C 1.338 177.676 176.300 0.063 0.000 1.071 216 M CA 1.211 56.560 55.300 0.082 0.000 1.096 216 M CB -0.513 32.053 32.600 -0.057 0.000 1.408 216 M HN -0.152 nan 8.290 nan 0.000 0.463 217 L N 1.200 122.417 121.223 -0.010 0.000 2.599 217 L HA 0.394 4.734 4.340 -0.000 0.000 0.230 217 L C 1.556 178.375 176.870 -0.086 0.000 1.141 217 L CA 0.881 55.694 54.840 -0.046 0.000 0.877 217 L CB -1.075 40.911 42.059 -0.120 0.000 1.009 217 L HN 0.742 nan 8.230 nan 0.000 0.447 218 G N -0.725 108.004 108.800 -0.119 0.000 2.160 218 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 218 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 218 G C 0.506 174.995 174.900 -0.685 0.000 1.008 218 G CA 0.323 45.116 45.100 -0.512 0.000 0.724 218 G HN 0.167 nan 8.290 nan 0.000 0.514 219 V N 1.292 121.000 119.914 -0.342 0.000 2.847 219 V HA 0.512 4.632 4.120 -0.000 0.000 0.364 219 V C 0.383 176.435 176.094 -0.069 0.000 1.374 219 V CA 0.127 62.316 62.300 -0.185 0.000 1.542 219 V CB -1.348 30.460 31.823 -0.024 0.000 1.471 219 V HN 0.505 nan 8.190 nan 0.000 0.557 220 F N 0.052 120.024 119.950 0.035 0.000 2.575 220 F HA 0.871 5.398 4.527 -0.000 0.000 0.330 220 F C -2.317 173.492 175.800 0.015 0.000 1.056 220 F CA -3.651 54.363 58.000 0.023 0.000 0.964 220 F CB 0.073 39.085 39.000 0.021 0.000 1.258 220 F HN -0.067 nan 8.300 nan 0.000 0.484 221 P HA 0.199 nan 4.420 nan 0.000 0.273 221 P C 0.783 178.262 177.300 0.297 0.000 1.319 221 P CA 0.557 63.777 63.100 0.199 0.000 0.885 221 P CB 0.611 32.382 31.700 0.117 0.000 1.015 222 G N 3.117 112.085 108.800 0.281 0.000 3.713 222 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.224 222 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.224 222 G C 0.619 175.686 174.900 0.278 0.000 1.745 222 G CA 1.122 46.368 45.100 0.243 0.000 1.826 222 G HN 0.921 nan 8.290 nan 0.000 0.779 223 K N 1.337 121.824 120.400 0.146 0.000 2.276 223 K HA 0.727 5.047 4.320 -0.000 0.000 0.285 223 K C 0.385 176.816 176.600 -0.281 0.000 1.062 223 K CA 0.199 56.477 56.287 -0.015 0.000 0.918 223 K CB 0.681 33.157 32.500 -0.040 0.000 1.055 223 K HN 0.756 nan 8.250 nan 0.000 0.477 224 R N 3.211 123.445 120.500 -0.443 0.000 2.349 224 R HA 0.305 4.644 4.340 -0.000 0.000 0.299 224 R C -2.096 173.912 176.300 -0.486 0.000 1.027 224 R CA -1.548 54.002 56.100 -0.917 0.000 0.958 224 R CB 0.644 30.608 30.300 -0.560 0.000 1.047 224 R HN 0.540 nan 8.270 nan 0.000 0.468 225 P HA -0.021 nan 4.420 nan 0.000 0.267 225 P C -0.047 177.145 177.300 -0.181 0.000 1.201 225 P CA -0.019 62.915 63.100 -0.277 0.000 0.775 225 P CB 0.528 32.100 31.700 -0.213 0.000 0.854 226 R N 1.040 121.391 120.500 -0.249 0.000 2.148 226 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 226 R C 1.093 177.529 176.300 0.226 0.000 1.103 226 R CA 1.144 57.195 56.100 -0.081 0.000 0.983 226 R CB -0.213 30.002 30.300 -0.143 0.000 0.874 226 R HN 0.377 nan 8.270 nan 0.000 0.451 227 F N -0.178 119.867 119.950 0.157 0.000 2.780 227 F HA 0.138 4.665 4.527 -0.000 0.000 0.299 227 F C 0.667 176.623 175.800 0.260 0.000 1.146 227 F CA -0.237 57.888 58.000 0.207 0.000 1.428 227 F CB -0.071 39.031 39.000 0.169 0.000 1.115 227 F HN -0.279 nan 8.300 nan 0.000 0.583 228 V N 0.513 120.652 119.914 0.375 0.000 2.630 228 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 228 V C -0.061 176.171 176.094 0.230 0.000 1.046 228 V CA -1.267 61.196 62.300 0.271 0.000 0.934 228 V CB 2.424 34.323 31.823 0.128 0.000 1.003 228 V HN -0.050 nan 8.190 nan 0.000 0.451 229 K N 1.971 122.418 120.400 0.079 0.000 2.259 229 K HA 0.395 4.715 4.320 -0.000 0.000 0.252 229 K C -1.019 175.539 176.600 -0.070 0.000 0.936 229 K CA -0.673 55.589 56.287 -0.043 0.000 0.810 229 K CB 1.633 33.907 32.500 -0.378 0.000 1.143 229 K HN 0.719 nan 8.250 nan 0.000 0.427 230 D N 4.198 124.605 120.400 0.012 0.000 2.402 230 D HA 0.064 4.704 4.640 -0.000 0.000 0.235 230 D C 0.029 176.275 176.300 -0.089 0.000 1.226 230 D CA -0.195 53.852 54.000 0.079 0.000 0.918 230 D CB -0.020 40.888 40.800 0.180 0.000 1.043 230 D HN 0.455 nan 8.370 nan 0.000 0.506 231 F N 2.523 122.465 119.950 -0.014 0.000 2.661 231 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 231 F C 2.050 177.839 175.800 -0.018 0.000 1.137 231 F CA 0.245 58.230 58.000 -0.027 0.000 1.454 231 F CB -0.068 38.900 39.000 -0.054 0.000 1.103 231 F HN 0.391 nan 8.300 nan 0.000 0.577 232 M N -0.193 119.478 119.600 0.118 0.000 2.236 232 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 232 M C 1.107 177.429 176.300 0.038 0.000 1.070 232 M CA 1.162 56.500 55.300 0.064 0.000 1.137 232 M CB -0.443 32.169 32.600 0.020 0.000 1.378 232 M HN -0.160 nan 8.290 nan 0.000 0.426 233 Q N 1.107 120.917 119.800 0.017 0.000 2.262 233 Q HA 0.125 4.465 4.340 -0.000 0.000 0.298 233 Q C 0.845 176.855 176.000 0.018 0.000 1.083 233 Q CA 1.522 57.329 55.803 0.007 0.000 0.962 233 Q CB -0.290 28.450 28.738 0.003 0.000 1.104 233 Q HN 0.809 nan 8.270 nan 0.000 0.376 234 G N 3.604 112.415 108.800 0.018 0.000 2.184 234 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.264 234 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.264 234 G C 0.052 174.971 174.900 0.032 0.000 0.975 234 G CA 0.313 45.427 45.100 0.023 0.000 0.642 234 G HN 0.589 nan 8.290 nan 0.000 0.536 235 Q N -0.213 119.610 119.800 0.038 0.000 2.227 235 Q HA 0.420 4.760 4.340 -0.000 0.000 0.245 235 Q C -1.109 174.917 176.000 0.043 0.000 0.926 235 Q CA -1.280 54.550 55.803 0.045 0.000 0.895 235 Q CB 1.714 30.485 28.738 0.055 0.000 1.230 235 Q HN 0.301 nan 8.270 nan 0.000 0.450 236 P HA -0.019 nan 4.420 nan 0.000 0.236 236 P C -0.228 177.107 177.300 0.057 0.000 1.177 236 P CA 0.525 63.654 63.100 0.047 0.000 0.773 236 P CB 0.657 32.387 31.700 0.049 0.000 0.878 237 S N -2.025 113.718 115.700 0.073 0.000 2.588 237 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 237 S C 0.769 175.425 174.600 0.094 0.000 1.157 237 S CA -0.834 57.420 58.200 0.089 0.000 0.824 237 S CB 0.363 63.638 63.200 0.125 0.000 1.126 237 S HN -0.180 nan 8.310 nan 0.000 0.464 238 I N 0.404 121.035 120.570 0.102 0.000 2.226 238 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 238 I C 2.259 178.447 176.117 0.118 0.000 1.100 238 I CA 1.654 63.018 61.300 0.108 0.000 1.374 238 I CB -0.453 37.626 38.000 0.131 0.000 1.057 238 I HN 0.707 nan 8.210 nan 0.000 0.413 239 F N 2.298 122.255 119.950 0.011 0.000 2.095 239 F HA -0.278 4.249 4.527 0.000 0.000 0.298 239 F C 2.523 178.331 175.800 0.013 0.000 1.104 239 F CA 1.531 59.534 58.000 0.005 0.000 1.232 239 F CB -0.442 38.551 39.000 -0.011 0.000 0.987 239 F HN 0.011 nan 8.300 nan 0.000 0.475 240 A N 0.476 123.270 122.820 -0.043 0.000 1.940 240 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 240 A C 2.435 179.951 177.584 -0.113 0.000 1.176 240 A CA 2.046 54.016 52.037 -0.112 0.000 0.631 240 A CB -1.625 17.400 19.000 0.041 0.000 0.814 240 A HN 0.572 nan 8.150 nan 0.000 0.446 241 A N -0.750 122.046 122.820 -0.040 0.000 1.902 241 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 241 A C 2.219 179.767 177.584 -0.060 0.000 1.181 241 A CA 1.790 53.835 52.037 0.012 0.000 0.623 241 A CB -0.813 18.218 19.000 0.052 0.000 0.818 241 A HN 0.407 nan 8.150 nan 0.000 0.443 242 V N 0.133 119.966 119.914 -0.134 0.000 2.453 242 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 242 V C 2.413 178.375 176.094 -0.220 0.000 1.048 242 V CA 1.859 64.063 62.300 -0.160 0.000 1.049 242 V CB -0.741 31.007 31.823 -0.125 0.000 0.672 242 V HN 0.555 nan 8.190 nan 0.000 0.457 243 E N 0.581 120.562 120.200 -0.366 0.000 2.058 243 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 243 E C 2.368 178.830 176.600 -0.230 0.000 0.997 243 E CA 1.592 57.780 56.400 -0.353 0.000 0.801 243 E CB -0.298 29.113 29.700 -0.482 0.000 0.746 243 E HN 0.586 nan 8.360 nan 0.000 0.450 244 A N 0.839 123.558 122.820 -0.169 0.000 1.933 244 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 244 A C 2.044 179.446 177.584 -0.303 0.000 1.175 244 A CA 1.481 53.465 52.037 -0.088 0.000 0.628 244 A CB -0.774 18.286 19.000 0.101 0.000 0.814 244 A HN 0.411 nan 8.150 nan 0.000 0.444 245 Y N 0.699 120.539 120.300 -0.768 0.000 2.114 245 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 245 Y C 2.281 177.803 175.900 -0.630 0.000 1.143 245 Y CA 2.028 59.325 58.100 -1.337 0.000 1.135 245 Y CB -0.584 37.137 38.460 -1.233 0.000 0.980 245 Y HN 0.047 nan 8.280 nan 0.000 0.499 246 V N 1.568 121.176 119.914 -0.511 0.000 2.252 246 V HA -0.382 3.738 4.120 -0.000 0.000 0.249 246 V C 2.624 178.509 176.094 -0.349 0.000 1.056 246 V CA 2.483 64.527 62.300 -0.427 0.000 1.022 246 V CB -0.883 30.817 31.823 -0.205 0.000 0.641 246 V HN 0.439 nan 8.190 nan 0.000 0.445 247 R N 0.082 120.431 120.500 -0.251 0.000 2.096 247 R HA -0.216 4.124 4.340 -0.000 0.000 0.240 247 R C 2.269 178.489 176.300 -0.134 0.000 1.139 247 R CA 1.942 57.949 56.100 -0.155 0.000 0.952 247 R CB -0.487 29.753 30.300 -0.100 0.000 0.854 247 R HN 0.506 nan 8.270 nan 0.000 0.436 248 A N 0.090 122.817 122.820 -0.155 0.000 1.930 248 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 248 A C 2.275 179.836 177.584 -0.039 0.000 1.175 248 A CA 1.422 53.454 52.037 -0.008 0.000 0.627 248 A CB -0.434 18.689 19.000 0.204 0.000 0.815 248 A HN 0.240 nan 8.150 nan 0.000 0.443 249 V N 0.082 119.847 119.914 -0.248 0.000 2.343 249 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 249 V C 2.472 178.497 176.094 -0.116 0.000 1.051 249 V CA 2.448 64.633 62.300 -0.193 0.000 1.036 249 V CB -0.595 30.971 31.823 -0.429 0.000 0.654 249 V HN 0.551 nan 8.190 nan 0.000 0.451 250 K N 0.440 120.758 120.400 -0.137 0.000 2.103 250 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 250 K C 1.710 178.278 176.600 -0.052 0.000 1.052 250 K CA 1.504 57.736 56.287 -0.091 0.000 0.945 250 K CB -0.261 32.182 32.500 -0.095 0.000 0.722 250 K HN 0.712 nan 8.250 nan 0.000 0.443 251 D N -0.955 119.421 120.400 -0.040 0.000 2.355 251 D HA -0.005 4.635 4.640 -0.000 0.000 0.218 251 D C 0.981 177.282 176.300 0.002 0.000 1.004 251 D CA 0.816 54.808 54.000 -0.013 0.000 0.880 251 D CB 0.235 41.033 40.800 -0.003 0.000 0.911 251 D HN 0.239 nan 8.370 nan 0.000 0.528 252 G N -0.178 108.625 108.800 0.005 0.000 2.141 252 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.242 252 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.242 252 G C 0.997 175.919 174.900 0.037 0.000 0.982 252 G CA 0.724 45.830 45.100 0.009 0.000 0.662 252 G HN 0.763 nan 8.290 nan 0.000 0.527 253 S N -1.351 114.396 115.700 0.078 0.000 2.524 253 S HA 0.551 5.021 4.470 -0.000 0.000 0.215 253 S C 0.495 175.229 174.600 0.223 0.000 0.986 253 S CA -0.009 58.261 58.200 0.116 0.000 0.911 253 S CB 0.255 63.528 63.200 0.122 0.000 0.805 253 S HN 0.844 nan 8.310 nan 0.000 0.501 254 F N 4.074 124.088 119.950 0.106 0.000 2.422 254 F HA 0.636 5.163 4.527 -0.000 0.000 0.333 254 F C -2.549 173.283 175.800 0.052 0.000 1.095 254 F CA -2.363 55.709 58.000 0.120 0.000 1.038 254 F CB 1.502 40.650 39.000 0.248 0.000 1.156 254 F HN -0.043 nan 8.300 nan 0.000 0.483 255 P HA 0.271 nan 4.420 nan 0.000 0.277 255 P C -0.493 176.640 177.300 -0.277 0.000 1.240 255 P CA -0.211 62.137 63.100 -1.254 0.000 0.798 255 P CB 1.157 32.324 31.700 -0.888 0.000 0.979 256 G N 1.589 110.472 108.800 0.138 0.000 2.535 256 G HA2 0.385 4.345 3.960 -0.000 0.000 0.303 256 G HA3 0.385 4.345 3.960 -0.000 0.000 0.303 256 G C -1.854 173.043 174.900 -0.005 0.000 1.237 256 G CA -1.532 43.623 45.100 0.092 0.000 0.986 256 G HN 0.229 nan 8.290 nan 0.000 0.494 257 P HA -0.059 nan 4.420 nan 0.000 0.219 257 P C 1.086 178.345 177.300 -0.068 0.000 1.146 257 P CA 1.099 64.173 63.100 -0.044 0.000 0.808 257 P CB 0.184 31.864 31.700 -0.032 0.000 0.779 258 E N -1.731 118.359 120.200 -0.184 0.000 2.418 258 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 258 E C 0.996 177.453 176.600 -0.238 0.000 1.026 258 E CA 0.970 57.227 56.400 -0.238 0.000 0.862 258 E CB -1.063 28.437 29.700 -0.333 0.000 0.799 258 E HN 0.558 nan 8.360 nan 0.000 0.518 259 H N -0.996 118.112 119.070 0.063 0.000 2.586 259 H HA 0.363 4.919 4.556 -0.000 0.000 0.273 259 H C -0.136 175.288 175.328 0.160 0.000 0.997 259 H CA -0.031 56.086 56.048 0.116 0.000 1.177 259 H CB 0.759 30.511 29.762 -0.017 0.000 1.471 259 H HN -0.071 nan 8.280 nan 0.000 0.538 260 S N 0.165 115.975 115.700 0.183 0.000 2.667 260 S HA 0.605 5.075 4.470 -0.000 0.000 0.292 260 S C -0.987 173.740 174.600 0.212 0.000 1.126 260 S CA -0.929 57.326 58.200 0.092 0.000 0.881 260 S CB 2.069 65.239 63.200 -0.050 0.000 1.132 260 S HN 0.318 nan 8.310 nan 0.000 0.492 261 F N 0.000 119.961 119.950 0.019 0.000 2.286 261 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 261 F CA 0.000 58.017 58.000 0.028 0.000 1.383 261 F CB 0.000 39.042 39.000 0.070 0.000 1.145 261 F HN 0.000 nan 8.300 nan 0.000 0.574