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 2vos_1_A DATA FIRST_RESID 24 DATA SEQUENCE DEIASLLQVE HLLDQRWXXX RIDPSLTRIS ALXDLLGSPQ RSYPSIHIAG DATA SEQUENCE TNGKTSVARX VDALVTALHR RTGRTTSPHL QSPVERISID GKPISPAQYV DATA SEQUENCE ATYREIEPLV ALIDQQSQAS XXXXXPAXSK FEVLTAXAFA AFADAPVDVA DATA SEQUENCE VVEVGXGGRW DATNVINAPV AVITPISIDH VDYLGADIAG IAGEKAGIIT DATA SEQUENCE RAPXXSPDTV AVIGRQVPKV XEVLLAESVR ADASVAREDS EFAVLRRQIA DATA SEQUENCE VGGQVLQLQG LGGVYSDIYL PLHGEHQAHN AVLALASVEA FFGAXXXXQL DATA SEQUENCE DGDAVRAGFA AVTSPGRLER XRSAPTVFID AAHNPAGASA LAQTLAHEFD DATA SEQUENCE FRFLVGVLSV LGDKDVDGIL AALEPVFDSV VVTHNGSPRA LDVEALALAA DATA SEQUENCE GERFGPDRVR TAENLRDAID VATSLVDDAA ADPDVAGXXX XRTGIVITGS DATA SEQUENCE VVTAGAARTL FGRDPQ 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.303 176.300 0.005 0.000 2.045 24 D CA 0.000 54.001 54.000 0.001 0.000 0.868 24 D CB 0.000 40.803 40.800 0.004 0.000 0.688 25 E N 1.019 121.222 120.200 0.006 0.000 2.038 25 E HA -0.186 4.164 4.350 0.000 0.000 0.195 25 E C 1.762 178.363 176.600 0.001 0.000 1.000 25 E CA 1.556 57.962 56.400 0.010 0.000 0.803 25 E CB -0.014 29.691 29.700 0.008 0.000 0.750 25 E HN 0.316 nan 8.360 nan 0.000 0.448 26 I N 1.407 121.970 120.570 -0.012 0.000 2.286 26 I HA -0.218 3.952 4.170 0.000 0.000 0.248 26 I C 2.606 178.710 176.117 -0.023 0.000 1.115 26 I CA 1.345 62.629 61.300 -0.027 0.000 1.392 26 I CB -1.629 36.354 38.000 -0.028 0.000 1.065 26 I HN 0.234 nan 8.210 nan 0.000 0.418 27 A N 0.430 123.242 122.820 -0.013 0.000 1.898 27 A HA -0.139 4.181 4.320 0.000 0.000 0.216 27 A C 2.596 180.177 177.584 -0.004 0.000 1.181 27 A CA 1.872 53.901 52.037 -0.013 0.000 0.620 27 A CB -0.719 18.275 19.000 -0.010 0.000 0.819 27 A HN 0.398 nan 8.150 nan 0.000 0.442 28 S N -0.363 115.342 115.700 0.009 0.000 2.370 28 S HA -0.166 4.304 4.470 0.000 0.000 0.226 28 S C 1.899 176.517 174.600 0.031 0.000 1.033 28 S CA 1.441 59.656 58.200 0.025 0.000 1.011 28 S CB -0.526 62.698 63.200 0.039 0.000 0.852 28 S HN 0.543 nan 8.310 nan 0.000 0.457 29 L N 1.498 122.734 121.223 0.023 0.000 2.042 29 L HA -0.106 4.234 4.340 0.000 0.000 0.210 29 L C 2.038 178.902 176.870 -0.010 0.000 1.076 29 L CA 1.427 56.276 54.840 0.015 0.000 0.749 29 L CB -0.291 41.727 42.059 -0.068 0.000 0.893 29 L HN 0.293 nan 8.230 nan 0.000 0.432 30 L N -0.844 120.367 121.223 -0.021 0.000 2.083 30 L HA -0.257 4.083 4.340 0.000 0.000 0.209 30 L C 2.650 179.529 176.870 0.015 0.000 1.083 30 L CA 1.445 56.277 54.840 -0.014 0.000 0.752 30 L CB -0.558 41.485 42.059 -0.026 0.000 0.899 30 L HN 0.438 nan 8.230 nan 0.000 0.433 31 Q N -0.276 119.532 119.800 0.012 0.000 2.061 31 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 31 Q C 2.312 178.322 176.000 0.016 0.000 0.984 31 Q CA 1.962 57.785 55.803 0.033 0.000 0.846 31 Q CB -0.017 28.736 28.738 0.025 0.000 0.902 31 Q HN 0.311 nan 8.270 nan 0.000 0.421 32 V N 1.179 121.070 119.914 -0.038 0.000 2.332 32 V HA -0.257 3.863 4.120 0.000 0.000 0.248 32 V C 2.178 178.180 176.094 -0.153 0.000 1.055 32 V CA 1.885 64.067 62.300 -0.198 0.000 1.038 32 V CB -0.520 31.162 31.823 -0.236 0.000 0.651 32 V HN 0.369 nan 8.190 nan 0.000 0.450 33 E N -0.550 119.639 120.200 -0.018 0.000 2.106 33 E HA -0.222 4.128 4.350 0.000 0.000 0.192 33 E C 2.140 178.764 176.600 0.040 0.000 0.984 33 E CA 1.421 57.832 56.400 0.018 0.000 0.806 33 E CB -0.440 29.277 29.700 0.028 0.000 0.750 33 E HN 0.766 nan 8.360 nan 0.000 0.458 34 H N 0.962 120.011 119.070 -0.035 0.000 2.352 34 H HA -0.054 4.502 4.556 0.000 0.000 0.299 34 H C 2.145 177.457 175.328 -0.028 0.000 1.097 34 H CA 1.552 57.589 56.048 -0.018 0.000 1.311 34 H CB -0.285 29.469 29.762 -0.014 0.000 1.377 34 H HN 0.039 nan 8.280 nan 0.000 0.504 35 L N -0.519 120.647 121.223 -0.095 0.000 2.005 35 L HA -0.169 4.171 4.340 0.000 0.000 0.207 35 L C 2.593 179.376 176.870 -0.146 0.000 1.072 35 L CA 1.155 55.905 54.840 -0.150 0.000 0.744 35 L CB -0.492 41.503 42.059 -0.107 0.000 0.895 35 L HN 0.292 nan 8.230 nan 0.000 0.433 36 L N -0.371 120.772 121.223 -0.133 0.000 2.083 36 L HA -0.229 4.111 4.340 0.000 0.000 0.209 36 L C 1.944 178.784 176.870 -0.050 0.000 1.083 36 L CA 0.976 55.764 54.840 -0.087 0.000 0.752 36 L CB -0.614 41.406 42.059 -0.065 0.000 0.899 36 L HN 0.294 nan 8.230 nan 0.000 0.433 37 D N -0.385 119.992 120.400 -0.038 0.000 2.350 37 D HA -0.144 4.496 4.640 0.000 0.000 0.216 37 D C 2.008 178.304 176.300 -0.007 0.000 0.968 37 D CA 0.783 54.788 54.000 0.009 0.000 0.894 37 D CB 0.012 40.836 40.800 0.039 0.000 0.909 37 D HN 0.424 nan 8.370 nan 0.000 0.520 38 Q N -0.424 119.311 119.800 -0.107 0.000 2.425 38 Q HA 0.131 4.471 4.340 0.000 0.000 0.204 38 Q C 1.817 177.649 176.000 -0.280 0.000 0.933 38 Q CA 0.089 55.815 55.803 -0.129 0.000 0.939 38 Q CB 0.444 29.068 28.738 -0.191 0.000 1.044 38 Q HN 0.192 nan 8.270 nan 0.000 0.513 39 R N -0.006 120.330 120.500 -0.272 0.000 2.075 39 R HA -0.064 4.276 4.340 0.000 0.000 0.226 39 R C -0.054 175.769 176.300 -0.794 0.000 1.114 39 R CA 0.897 56.699 56.100 -0.498 0.000 0.972 39 R CB -0.130 30.023 30.300 -0.246 0.000 0.869 39 R HN 0.217 nan 8.270 nan 0.000 0.437 45 I N 0.250 120.852 120.570 0.055 0.000 3.003 45 I HA 0.450 4.620 4.170 0.000 0.000 0.294 45 I C 0.491 176.625 176.117 0.028 0.000 1.237 45 I CA 1.233 62.555 61.300 0.038 0.000 1.417 45 I CB 0.538 38.534 38.000 -0.007 0.000 1.340 45 I HN 0.944 nan 8.210 nan 0.000 0.594 46 D N 4.612 125.040 120.400 0.048 0.000 2.656 46 D HA 0.412 5.052 4.640 0.000 0.000 0.303 46 D C -1.826 174.521 176.300 0.079 0.000 1.199 46 D CA -1.544 52.484 54.000 0.048 0.000 0.797 46 D CB 0.890 41.728 40.800 0.063 0.000 1.170 46 D HN 0.281 nan 8.370 nan 0.000 0.509 47 P HA -0.163 nan 4.420 nan 0.000 0.219 47 P C 1.123 178.580 177.300 0.261 0.000 1.144 47 P CA 1.150 64.231 63.100 -0.031 0.000 0.806 47 P CB 0.164 31.489 31.700 -0.624 0.000 0.771 48 S N -1.581 114.204 115.700 0.142 0.000 2.603 48 S HA 0.044 4.514 4.470 0.000 0.000 0.220 48 S C 1.020 175.719 174.600 0.165 0.000 0.967 48 S CA 0.054 58.356 58.200 0.170 0.000 0.920 48 S CB -1.048 62.209 63.200 0.094 0.000 0.773 48 S HN 0.094 nan 8.310 nan 0.000 0.529 49 L N 0.406 121.730 121.223 0.168 0.000 4.040 49 L HA -0.233 4.107 4.340 0.000 0.000 0.410 49 L C 1.402 178.329 176.870 0.095 0.000 1.187 49 L CA 0.640 55.565 54.840 0.142 0.000 0.956 49 L CB -2.908 39.241 42.059 0.150 0.000 2.022 49 L HN 0.304 nan 8.230 nan 0.000 0.897 50 T N -1.099 113.502 114.554 0.078 0.000 2.708 50 T HA -0.147 4.204 4.350 0.000 0.000 0.266 50 T C 1.913 176.638 174.700 0.042 0.000 1.037 50 T CA 1.938 64.070 62.100 0.053 0.000 1.146 50 T CB -0.047 68.847 68.868 0.043 0.000 0.865 50 T HN 0.437 nan 8.240 nan 0.000 0.435 51 R N 0.001 120.527 120.500 0.043 0.000 2.062 51 R HA 0.036 4.376 4.340 0.000 0.000 0.231 51 R C 2.428 178.746 176.300 0.030 0.000 1.136 51 R CA 1.207 57.325 56.100 0.030 0.000 0.948 51 R CB -0.510 29.806 30.300 0.028 0.000 0.845 51 R HN 0.265 nan 8.270 nan 0.000 0.430 52 I N 0.856 121.455 120.570 0.048 0.000 2.315 52 I HA -0.196 3.974 4.170 0.000 0.000 0.248 52 I C 1.770 177.916 176.117 0.048 0.000 1.117 52 I CA 1.505 62.835 61.300 0.050 0.000 1.404 52 I CB -0.110 37.935 38.000 0.077 0.000 1.071 52 I HN -0.007 nan 8.210 nan 0.000 0.419 53 S N 0.941 116.670 115.700 0.048 0.000 2.359 53 S HA -0.189 4.281 4.470 0.000 0.000 0.224 53 S C 2.224 176.832 174.600 0.014 0.000 1.035 53 S CA 1.329 59.547 58.200 0.030 0.000 1.018 53 S CB -0.788 62.432 63.200 0.032 0.000 0.876 53 S HN 0.671 nan 8.310 nan 0.000 0.448 54 A N 1.359 124.188 122.820 0.014 0.000 1.883 54 A HA 0.008 4.329 4.320 0.000 0.000 0.217 54 A C 1.240 178.822 177.584 -0.003 0.000 1.186 54 A CA 0.900 52.939 52.037 0.004 0.000 0.624 54 A CB -0.752 18.251 19.000 0.004 0.000 0.822 54 A HN 0.402 nan 8.150 nan 0.000 0.444 58 L N 0.820 122.030 121.223 -0.022 0.000 2.127 58 L HA -0.098 4.242 4.340 0.000 0.000 0.211 58 L C 1.715 178.569 176.870 -0.027 0.000 1.089 58 L CA 0.861 55.686 54.840 -0.025 0.000 0.757 58 L CB -0.115 41.928 42.059 -0.027 0.000 0.899 58 L HN 0.104 nan 8.230 nan 0.000 0.434 59 L N -0.324 120.884 121.223 -0.026 0.000 2.552 59 L HA 0.092 4.432 4.340 0.000 0.000 0.227 59 L C 1.591 178.447 176.870 -0.023 0.000 1.146 59 L CA 1.303 56.129 54.840 -0.024 0.000 0.858 59 L CB -1.070 40.979 42.059 -0.016 0.000 0.969 59 L HN 0.433 nan 8.230 nan 0.000 0.451 60 G N -1.321 107.462 108.800 -0.027 0.000 2.132 60 G HA2 -0.275 3.685 3.960 0.000 0.000 0.234 60 G HA3 -0.275 3.685 3.960 0.000 0.000 0.234 60 G C 0.678 175.550 174.900 -0.048 0.000 0.989 60 G CA 0.256 45.337 45.100 -0.032 0.000 0.676 60 G HN 0.165 nan 8.290 nan 0.000 0.522 61 S N -0.694 114.972 115.700 -0.057 0.000 3.706 61 S HA -0.179 4.291 4.470 0.000 0.000 0.363 61 S C -0.076 174.442 174.600 -0.137 0.000 0.999 61 S CA 0.930 59.071 58.200 -0.098 0.000 1.143 61 S CB -0.701 62.437 63.200 -0.103 0.000 0.902 61 S HN 0.766 nan 8.310 nan 0.000 0.476 62 P HA -0.216 nan 4.420 nan 0.000 0.217 62 P C 1.646 178.774 177.300 -0.286 0.000 1.148 62 P CA 1.524 64.580 63.100 -0.072 0.000 0.828 62 P CB -0.019 31.720 31.700 0.065 0.000 0.783 63 Q N 0.298 119.874 119.800 -0.374 0.000 2.482 63 Q HA -0.062 4.278 4.340 0.000 0.000 0.209 63 Q C 1.431 176.981 176.000 -0.750 0.000 0.961 63 Q CA 0.904 56.269 55.803 -0.730 0.000 0.945 63 Q CB -0.415 27.604 28.738 -1.197 0.000 1.012 63 Q HN 0.306 nan 8.270 nan 0.000 0.515 64 R N 0.777 120.957 120.500 -0.534 0.000 2.393 64 R HA 0.144 4.485 4.340 0.000 0.000 0.244 64 R C 1.159 177.217 176.300 -0.403 0.000 0.920 64 R CA 0.643 56.497 56.100 -0.410 0.000 1.076 64 R CB 0.562 30.716 30.300 -0.244 0.000 1.119 64 R HN 0.341 nan 8.270 nan 0.000 0.524 65 S N -0.490 114.867 115.700 -0.571 0.000 2.557 65 S HA 0.101 4.571 4.470 0.000 0.000 0.223 65 S C -0.099 174.379 174.600 -0.203 0.000 0.969 65 S CA -0.550 57.469 58.200 -0.301 0.000 0.927 65 S CB -0.143 62.976 63.200 -0.135 0.000 0.806 65 S HN 0.298 nan 8.310 nan 0.000 0.489 66 Y N -1.397 118.902 120.300 -0.001 0.000 2.609 66 Y HA 0.818 5.368 4.550 0.000 0.000 0.336 66 Y C -3.297 172.608 175.900 0.008 0.000 1.129 66 Y CA -3.001 55.108 58.100 0.015 0.000 1.040 66 Y CB -0.032 38.441 38.460 0.021 0.000 1.310 66 Y HN -0.164 nan 8.280 nan 0.000 0.460 67 P HA 0.474 nan 4.420 nan 0.000 0.281 67 P C -0.865 176.575 177.300 0.232 0.000 1.249 67 P CA -0.307 62.915 63.100 0.204 0.000 0.810 67 P CB 1.987 33.858 31.700 0.286 0.000 1.008 68 S N 0.618 116.415 115.700 0.161 0.000 2.599 68 S HA 0.614 5.084 4.470 0.000 0.000 0.294 68 S C -0.135 174.493 174.600 0.046 0.000 1.094 68 S CA -0.623 57.623 58.200 0.076 0.000 0.931 68 S CB 0.985 64.233 63.200 0.079 0.000 1.093 68 S HN 0.312 nan 8.310 nan 0.000 0.488 69 I N 1.838 122.385 120.570 -0.038 0.000 2.406 69 I HA 0.352 4.522 4.170 0.000 0.000 0.290 69 I C -0.267 175.917 176.117 0.112 0.000 0.999 69 I CA -0.362 60.943 61.300 0.008 0.000 1.124 69 I CB 1.354 39.273 38.000 -0.135 0.000 1.289 69 I HN 0.608 nan 8.210 nan 0.000 0.441 70 H N 6.915 126.010 119.070 0.041 0.000 2.505 70 H HA 0.630 5.186 4.556 0.000 0.000 0.338 70 H C -1.216 174.149 175.328 0.061 0.000 1.057 70 H CA -0.809 55.283 56.048 0.074 0.000 1.202 70 H CB 1.485 31.297 29.762 0.083 0.000 1.466 70 H HN 0.463 nan 8.280 nan 0.000 0.499 71 I N 4.381 125.057 120.570 0.177 0.000 2.436 71 I HA 0.499 4.669 4.170 0.000 0.000 0.289 71 I C -0.481 175.637 176.117 0.002 0.000 1.010 71 I CA -0.382 60.954 61.300 0.060 0.000 1.098 71 I CB 1.729 39.781 38.000 0.087 0.000 1.266 71 I HN 0.560 nan 8.210 nan 0.000 0.434 72 A N 4.227 127.025 122.820 -0.037 0.000 2.435 72 A HA 1.056 5.376 4.320 0.000 0.000 0.296 72 A C -0.180 177.404 177.584 -0.001 0.000 1.147 72 A CA -0.254 51.761 52.037 -0.036 0.000 0.775 72 A CB 1.852 20.796 19.000 -0.094 0.000 1.340 72 A HN 1.015 nan 8.150 nan 0.000 0.427 73 G N -1.474 107.331 108.800 0.008 0.000 2.369 73 G HA2 0.395 4.355 3.960 0.000 0.000 0.295 73 G HA3 0.395 4.355 3.960 0.000 0.000 0.295 73 G C 0.079 174.995 174.900 0.027 0.000 1.298 73 G CA 0.406 45.517 45.100 0.019 0.000 0.940 73 G HN 0.993 nan 8.290 nan 0.000 0.536 74 T N -0.083 114.487 114.554 0.026 0.000 3.045 74 T HA 0.233 4.583 4.350 0.000 0.000 0.239 74 T C 0.798 175.510 174.700 0.020 0.000 1.008 74 T CA 1.132 63.248 62.100 0.027 0.000 1.143 74 T CB -0.070 68.808 68.868 0.016 0.000 0.894 74 T HN 0.451 nan 8.240 nan 0.000 0.451 75 N N -0.676 118.030 118.700 0.011 0.000 2.272 75 N HA 0.517 5.257 4.740 0.000 0.000 0.305 75 N C 0.515 176.051 175.510 0.044 0.000 1.103 75 N CA 0.227 53.279 53.050 0.003 0.000 0.791 75 N CB 1.974 40.440 38.487 -0.034 0.000 1.356 75 N HN 0.267 nan 8.380 nan 0.000 0.486 76 G N 0.288 109.126 108.800 0.064 0.000 2.176 76 G HA2 -0.330 3.630 3.960 0.000 0.000 0.253 76 G HA3 -0.330 3.630 3.960 0.000 0.000 0.253 76 G C 0.905 175.855 174.900 0.083 0.000 0.979 76 G CA 0.433 45.589 45.100 0.093 0.000 0.641 76 G HN 0.536 nan 8.290 nan 0.000 0.530 77 K N -0.322 120.123 120.400 0.075 0.000 2.009 77 K HA -0.071 4.249 4.320 0.000 0.000 0.210 77 K C 2.602 179.250 176.600 0.080 0.000 1.049 77 K CA 1.916 58.248 56.287 0.075 0.000 0.929 77 K CB -0.453 32.091 32.500 0.074 0.000 0.714 77 K HN 0.323 nan 8.250 nan 0.000 0.440 78 T N 0.894 115.500 114.554 0.086 0.000 2.708 78 T HA -0.119 4.231 4.350 0.000 0.000 0.266 78 T C 2.154 176.900 174.700 0.077 0.000 1.037 78 T CA 1.586 63.737 62.100 0.086 0.000 1.146 78 T CB -0.199 68.725 68.868 0.092 0.000 0.865 78 T HN 0.152 nan 8.240 nan 0.000 0.435 79 S N 0.675 116.424 115.700 0.081 0.000 2.368 79 S HA -0.084 4.386 4.470 0.000 0.000 0.225 79 S C 2.287 176.928 174.600 0.068 0.000 1.030 79 S CA 0.820 59.065 58.200 0.075 0.000 0.999 79 S CB -0.462 62.790 63.200 0.086 0.000 0.844 79 S HN 0.265 nan 8.310 nan 0.000 0.459 80 V N 1.911 121.868 119.914 0.071 0.000 2.343 80 V HA -0.196 3.924 4.120 0.000 0.000 0.247 80 V C 2.603 178.720 176.094 0.038 0.000 1.051 80 V CA 1.635 63.973 62.300 0.062 0.000 1.036 80 V CB -1.185 30.677 31.823 0.065 0.000 0.654 80 V HN 0.534 nan 8.190 nan 0.000 0.451 81 A N -0.061 122.785 122.820 0.042 0.000 1.883 81 A HA -0.153 4.168 4.320 0.000 0.000 0.217 81 A C 1.723 179.308 177.584 0.002 0.000 1.186 81 A CA 1.103 53.156 52.037 0.026 0.000 0.624 81 A CB -0.342 18.691 19.000 0.054 0.000 0.822 81 A HN 0.545 nan 8.150 nan 0.000 0.444 85 D N 1.724 122.044 120.400 -0.133 0.000 2.092 85 D HA -0.142 4.498 4.640 0.000 0.000 0.193 85 D C 2.010 178.226 176.300 -0.140 0.000 0.994 85 D CA 2.234 56.152 54.000 -0.136 0.000 0.828 85 D CB 0.066 40.807 40.800 -0.098 0.000 0.963 85 D HN 0.479 nan 8.370 nan 0.000 0.450 86 A N 0.566 123.303 122.820 -0.138 0.000 1.883 86 A HA -0.155 4.165 4.320 0.000 0.000 0.217 86 A C 2.689 180.139 177.584 -0.222 0.000 1.186 86 A CA 1.485 53.428 52.037 -0.157 0.000 0.624 86 A CB -0.936 17.978 19.000 -0.144 0.000 0.822 86 A HN 0.379 nan 8.150 nan 0.000 0.444 87 L N -0.672 120.374 121.223 -0.296 0.000 2.017 87 L HA -0.160 4.180 4.340 0.000 0.000 0.208 87 L C 2.530 179.284 176.870 -0.193 0.000 1.073 87 L CA 1.166 55.810 54.840 -0.326 0.000 0.745 87 L CB -0.554 41.267 42.059 -0.397 0.000 0.894 87 L HN 0.254 nan 8.230 nan 0.000 0.432 88 V N -0.772 119.064 119.914 -0.129 0.000 2.427 88 V HA -0.256 3.864 4.120 0.000 0.000 0.248 88 V C 2.514 178.554 176.094 -0.089 0.000 1.051 88 V CA 2.208 64.489 62.300 -0.031 0.000 1.048 88 V CB -0.688 31.088 31.823 -0.079 0.000 0.666 88 V HN 0.478 nan 8.190 nan 0.000 0.456 89 T N 0.458 114.930 114.554 -0.136 0.000 2.777 89 T HA -0.108 4.242 4.350 0.000 0.000 0.266 89 T C 2.050 176.592 174.700 -0.265 0.000 1.040 89 T CA 1.480 63.493 62.100 -0.146 0.000 1.141 89 T CB -0.377 68.422 68.868 -0.116 0.000 0.868 89 T HN 0.561 nan 8.240 nan 0.000 0.444 90 A N 0.994 123.638 122.820 -0.294 0.000 2.019 90 A HA 0.080 4.400 4.320 0.000 0.000 0.219 90 A C 1.982 179.167 177.584 -0.665 0.000 1.164 90 A CA 1.021 52.815 52.037 -0.406 0.000 0.644 90 A CB -0.659 18.182 19.000 -0.265 0.000 0.805 90 A HN 0.509 nan 8.150 nan 0.000 0.449 91 L N -1.191 119.758 121.223 -0.456 0.000 2.611 91 L HA 0.099 4.439 4.340 0.000 0.000 0.229 91 L C 0.240 176.977 176.870 -0.220 0.000 1.137 91 L CA -0.037 54.596 54.840 -0.346 0.000 0.901 91 L CB -0.447 41.442 42.059 -0.283 0.000 1.098 91 L HN 0.569 nan 8.230 nan 0.000 0.456 92 H N -1.808 117.233 119.070 -0.049 0.000 2.992 92 H HA -0.141 4.415 4.556 -0.000 0.000 0.266 92 H C 0.307 175.634 175.328 -0.002 0.000 1.200 92 H CA 0.207 56.239 56.048 -0.027 0.000 1.135 92 H CB -1.223 28.520 29.762 -0.032 0.000 1.282 92 H HN 0.282 nan 8.280 nan 0.000 0.351 93 R N 1.063 121.609 120.500 0.077 0.000 2.457 93 R HA 0.406 4.746 4.340 0.000 0.000 0.284 93 R C 0.762 177.077 176.300 0.025 0.000 1.024 93 R CA -0.620 55.535 56.100 0.092 0.000 1.025 93 R CB 0.977 31.386 30.300 0.182 0.000 1.063 93 R HN 0.213 nan 8.270 nan 0.000 0.493 94 R N 0.977 121.484 120.500 0.012 0.000 2.298 94 R HA 0.228 4.568 4.340 0.000 0.000 0.310 94 R C -0.583 175.659 176.300 -0.096 0.000 1.068 94 R CA -0.079 56.003 56.100 -0.030 0.000 0.957 94 R CB 0.479 30.770 30.300 -0.015 0.000 1.003 94 R HN 0.833 nan 8.270 nan 0.000 0.454 95 T N 0.664 115.136 114.554 -0.136 0.000 2.945 95 T HA 0.695 5.045 4.350 0.000 0.000 0.286 95 T C 0.217 174.714 174.700 -0.338 0.000 1.025 95 T CA -0.850 61.105 62.100 -0.241 0.000 1.039 95 T CB 2.022 70.759 68.868 -0.218 0.000 1.068 95 T HN 0.586 nan 8.240 nan 0.000 0.497 96 G N 0.377 108.801 108.800 -0.627 0.000 2.482 96 G HA2 0.652 4.612 3.960 0.000 0.000 0.317 96 G HA3 0.652 4.612 3.960 0.000 0.000 0.317 96 G C -1.292 173.088 174.900 -0.866 0.000 1.241 96 G CA -1.141 43.374 45.100 -0.974 0.000 0.967 96 G HN 0.898 nan 8.290 nan 0.000 0.482 97 R N 0.045 120.349 120.500 -0.326 0.000 2.564 97 R HA 0.617 4.957 4.340 0.000 0.000 0.284 97 R C -1.570 174.895 176.300 0.275 0.000 1.031 97 R CA -0.515 55.555 56.100 -0.050 0.000 0.904 97 R CB 2.272 32.549 30.300 -0.038 0.000 1.199 97 R HN 0.549 nan 8.270 nan 0.000 0.443 98 T N 2.622 117.360 114.554 0.306 0.000 2.812 98 T HA 0.518 4.868 4.350 0.000 0.000 0.282 98 T C -0.804 174.005 174.700 0.182 0.000 0.990 98 T CA -0.246 62.003 62.100 0.248 0.000 0.960 98 T CB 1.046 70.009 68.868 0.158 0.000 0.948 98 T HN 0.746 nan 8.240 nan 0.000 0.438 99 T N 1.093 115.746 114.554 0.165 0.000 2.887 99 T HA 0.900 5.250 4.350 0.000 0.000 0.292 99 T C -0.607 174.202 174.700 0.181 0.000 1.087 99 T CA -0.782 61.414 62.100 0.159 0.000 1.009 99 T CB 1.665 70.608 68.868 0.126 0.000 1.203 99 T HN 0.905 nan 8.240 nan 0.000 0.518 100 S N -0.488 115.306 115.700 0.157 0.000 2.567 100 S HA 0.764 5.234 4.470 0.000 0.000 0.270 100 S C -3.295 171.345 174.600 0.065 0.000 1.152 100 S CA -1.214 57.067 58.200 0.136 0.000 0.835 100 S CB 0.867 64.172 63.200 0.174 0.000 1.115 100 S HN 0.690 nan 8.310 nan 0.000 0.459 101 P HA 0.293 nan 4.420 nan 0.000 0.277 101 P C -0.551 176.772 177.300 0.039 0.000 1.276 101 P CA -0.402 62.691 63.100 -0.012 0.000 0.788 101 P CB 0.069 31.693 31.700 -0.127 0.000 1.114 102 H N -0.594 118.507 119.070 0.052 0.000 2.551 102 H HA 0.254 4.810 4.556 0.000 0.000 0.358 102 H C 0.514 175.860 175.328 0.030 0.000 1.151 102 H CA -0.534 55.538 56.048 0.041 0.000 1.374 102 H CB 0.695 30.474 29.762 0.028 0.000 1.473 102 H HN 0.192 nan 8.280 nan 0.000 0.574 103 L N 0.611 121.922 121.223 0.146 0.000 2.071 103 L HA -0.108 4.232 4.340 0.000 0.000 0.201 103 L C 2.258 179.219 176.870 0.152 0.000 1.076 103 L CA 1.204 56.100 54.840 0.094 0.000 0.755 103 L CB -0.108 42.007 42.059 0.092 0.000 0.915 103 L HN 0.661 nan 8.230 nan 0.000 0.445 104 Q N -2.313 117.603 119.800 0.193 0.000 2.511 104 Q HA 0.154 4.494 4.340 0.000 0.000 0.236 104 Q C 0.433 176.505 176.000 0.120 0.000 0.893 104 Q CA 0.078 55.968 55.803 0.146 0.000 0.947 104 Q CB 1.199 29.982 28.738 0.075 0.000 1.110 104 Q HN 0.206 nan 8.270 nan 0.000 0.591 105 S N 0.110 115.812 115.700 0.004 0.000 2.541 105 S HA 0.317 4.787 4.470 0.000 0.000 0.280 105 S C -2.351 171.872 174.600 -0.628 0.000 1.112 105 S CA -1.889 56.148 58.200 -0.272 0.000 0.925 105 S CB 1.445 64.531 63.200 -0.189 0.000 1.067 105 S HN -0.154 nan 8.310 nan 0.000 0.479 106 P HA -0.040 nan 4.420 nan 0.000 0.226 106 P C 1.684 178.697 177.300 -0.478 0.000 1.153 106 P CA 1.088 63.662 63.100 -0.876 0.000 0.777 106 P CB -0.492 30.803 31.700 -0.675 0.000 0.794 107 V N -1.271 118.328 119.914 -0.526 0.000 2.660 107 V HA -0.232 3.888 4.120 0.000 0.000 0.257 107 V C 1.989 178.051 176.094 -0.054 0.000 1.088 107 V CA 1.680 63.833 62.300 -0.246 0.000 1.106 107 V CB -1.798 29.913 31.823 -0.186 0.000 0.686 107 V HN 0.051 nan 8.190 nan 0.000 0.481 108 E N 0.429 120.594 120.200 -0.058 0.000 2.265 108 E HA -0.135 4.215 4.350 0.000 0.000 0.196 108 E C 2.316 178.969 176.600 0.088 0.000 0.996 108 E CA 1.052 57.473 56.400 0.035 0.000 0.832 108 E CB -0.185 29.560 29.700 0.075 0.000 0.756 108 E HN 0.653 nan 8.360 nan 0.000 0.491 109 R N 0.084 120.646 120.500 0.103 0.000 2.280 109 R HA 0.096 4.436 4.340 0.000 0.000 0.207 109 R C 0.310 176.685 176.300 0.125 0.000 1.043 109 R CA 0.556 56.742 56.100 0.144 0.000 1.006 109 R CB 0.212 30.618 30.300 0.176 0.000 0.885 109 R HN 0.102 nan 8.270 nan 0.000 0.467 110 I N 0.457 121.104 120.570 0.128 0.000 2.468 110 I HA 0.194 4.364 4.170 0.000 0.000 0.284 110 I C -0.756 175.459 176.117 0.163 0.000 1.038 110 I CA -0.364 61.019 61.300 0.139 0.000 1.083 110 I CB 2.214 40.250 38.000 0.060 0.000 1.223 110 I HN -0.155 nan 8.210 nan 0.000 0.443 111 S N 6.506 122.327 115.700 0.202 0.000 2.513 111 S HA 0.697 5.167 4.470 0.000 0.000 0.299 111 S C -0.576 174.098 174.600 0.123 0.000 1.087 111 S CA -0.599 57.678 58.200 0.127 0.000 1.012 111 S CB 2.120 65.364 63.200 0.073 0.000 1.044 111 S HN 0.293 nan 8.310 nan 0.000 0.485 112 I N 2.256 122.869 120.570 0.071 0.000 2.498 112 I HA 0.368 4.538 4.170 0.000 0.000 0.290 112 I C -0.296 175.817 176.117 -0.006 0.000 1.032 112 I CA -0.339 60.974 61.300 0.022 0.000 1.073 112 I CB 1.578 39.611 38.000 0.056 0.000 1.251 112 I HN 0.683 nan 8.210 nan 0.000 0.426 113 D N 4.654 125.029 120.400 -0.041 0.000 2.945 113 D HA -0.179 4.461 4.640 0.000 0.000 0.225 113 D C 1.134 177.417 176.300 -0.028 0.000 1.158 113 D CA 1.459 55.438 54.000 -0.033 0.000 0.805 113 D CB -0.969 39.825 40.800 -0.010 0.000 1.098 113 D HN 1.180 nan 8.370 nan 0.000 0.426 114 G N -0.494 108.285 108.800 -0.035 0.000 2.157 114 G HA2 -0.337 3.623 3.960 0.000 0.000 0.248 114 G HA3 -0.337 3.623 3.960 0.000 0.000 0.248 114 G C 0.167 175.066 174.900 -0.001 0.000 0.979 114 G CA 0.761 45.846 45.100 -0.025 0.000 0.650 114 G HN 0.479 nan 8.290 nan 0.000 0.529 115 K N 0.374 120.780 120.400 0.010 0.000 2.422 115 K HA 0.538 4.858 4.320 0.000 0.000 0.251 115 K C -2.884 173.737 176.600 0.035 0.000 0.933 115 K CA -2.328 53.972 56.287 0.021 0.000 0.798 115 K CB 2.708 35.219 32.500 0.019 0.000 1.238 115 K HN -0.092 nan 8.250 nan 0.000 0.428 116 P HA -0.031 nan 4.420 nan 0.000 0.267 116 P C -0.144 177.184 177.300 0.046 0.000 1.200 116 P CA -0.163 62.963 63.100 0.043 0.000 0.772 116 P CB 0.257 31.971 31.700 0.022 0.000 0.855 117 I N -0.697 119.914 120.570 0.068 0.000 3.194 117 I HA 0.216 4.386 4.170 0.000 0.000 0.283 117 I C 0.520 176.668 176.117 0.051 0.000 1.199 117 I CA -0.420 60.922 61.300 0.070 0.000 1.328 117 I CB 0.343 38.403 38.000 0.099 0.000 1.404 117 I HN 0.286 nan 8.210 nan 0.000 0.618 118 S N 2.044 117.774 115.700 0.050 0.000 2.632 118 S HA 0.364 4.834 4.470 0.000 0.000 0.267 118 S C -1.804 172.821 174.600 0.042 0.000 1.276 118 S CA -1.016 57.203 58.200 0.031 0.000 0.998 118 S CB 1.047 64.265 63.200 0.029 0.000 0.953 118 S HN 0.585 nan 8.310 nan 0.000 0.547 119 P HA -0.088 nan 4.420 nan 0.000 0.216 119 P C 1.569 178.919 177.300 0.083 0.000 1.150 119 P CA 1.981 65.086 63.100 0.008 0.000 0.843 119 P CB -0.231 31.451 31.700 -0.029 0.000 0.787 120 A N -0.548 122.308 122.820 0.060 0.000 1.902 120 A HA -0.271 4.049 4.320 0.000 0.000 0.217 120 A C 2.246 179.879 177.584 0.082 0.000 1.181 120 A CA 1.726 53.802 52.037 0.064 0.000 0.623 120 A CB -1.349 17.676 19.000 0.041 0.000 0.818 120 A HN 0.186 nan 8.150 nan 0.000 0.443 121 Q N -2.265 117.585 119.800 0.084 0.000 2.167 121 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 121 Q C 1.921 177.984 176.000 0.105 0.000 0.970 121 Q CA 1.664 57.514 55.803 0.078 0.000 0.855 121 Q CB -0.310 28.471 28.738 0.072 0.000 0.911 121 Q HN 0.854 nan 8.270 nan 0.000 0.438 122 Y N 0.185 120.486 120.300 0.002 0.000 2.163 122 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 122 Y C 1.983 177.901 175.900 0.029 0.000 1.136 122 Y CA 1.276 59.375 58.100 -0.002 0.000 1.147 122 Y CB -0.128 38.318 38.460 -0.024 0.000 0.987 122 Y HN -0.146 nan 8.280 nan 0.000 0.509 123 V N 0.624 120.672 119.914 0.222 0.000 2.287 123 V HA -0.356 3.764 4.120 0.000 0.000 0.248 123 V C 2.686 178.837 176.094 0.095 0.000 1.053 123 V CA 1.933 64.324 62.300 0.151 0.000 1.027 123 V CB -1.613 30.294 31.823 0.140 0.000 0.646 123 V HN 0.584 nan 8.190 nan 0.000 0.447 124 A N -0.365 122.491 122.820 0.061 0.000 1.933 124 A HA -0.230 4.090 4.320 0.000 0.000 0.218 124 A C 2.385 179.962 177.584 -0.012 0.000 1.175 124 A CA 2.504 54.557 52.037 0.026 0.000 0.628 124 A CB -0.933 18.081 19.000 0.023 0.000 0.814 124 A HN 0.525 nan 8.150 nan 0.000 0.444 125 T N -1.602 112.932 114.554 -0.034 0.000 2.737 125 T HA -0.158 4.192 4.350 0.000 0.000 0.265 125 T C 1.799 176.430 174.700 -0.114 0.000 1.038 125 T CA 1.623 63.671 62.100 -0.087 0.000 1.144 125 T CB -0.437 68.354 68.868 -0.127 0.000 0.866 125 T HN 0.597 nan 8.240 nan 0.000 0.434 126 Y N 2.288 122.451 120.300 -0.229 0.000 2.145 126 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 126 Y C 2.511 178.338 175.900 -0.121 0.000 1.145 126 Y CA 1.306 59.280 58.100 -0.211 0.000 1.148 126 Y CB -0.229 38.088 38.460 -0.238 0.000 0.981 126 Y HN -0.013 nan 8.280 nan 0.000 0.507 127 R N 0.304 120.716 120.500 -0.146 0.000 2.105 127 R HA -0.204 4.136 4.340 0.000 0.000 0.239 127 R C 2.373 178.549 176.300 -0.207 0.000 1.135 127 R CA 1.795 57.785 56.100 -0.182 0.000 0.967 127 R CB -0.501 29.786 30.300 -0.022 0.000 0.861 127 R HN 0.700 nan 8.270 nan 0.000 0.442 128 E N 1.539 121.648 120.200 -0.151 0.000 2.106 128 E HA -0.180 4.170 4.350 0.000 0.000 0.192 128 E C 1.945 178.451 176.600 -0.156 0.000 0.984 128 E CA 1.398 57.725 56.400 -0.122 0.000 0.806 128 E CB -0.337 29.316 29.700 -0.078 0.000 0.750 128 E HN 0.572 nan 8.360 nan 0.000 0.458 129 I N -1.407 119.036 120.570 -0.211 0.000 3.059 129 I HA 0.067 4.237 4.170 0.000 0.000 0.270 129 I C 2.302 178.258 176.117 -0.268 0.000 1.238 129 I CA 0.614 61.791 61.300 -0.206 0.000 1.478 129 I CB -0.134 37.760 38.000 -0.177 0.000 1.097 129 I HN 0.046 nan 8.210 nan 0.000 0.455 130 E N 2.363 122.311 120.200 -0.420 0.000 2.097 130 E HA -0.182 4.168 4.350 0.000 0.000 0.196 130 E C -0.477 175.983 176.600 -0.233 0.000 1.000 130 E CA 1.797 57.920 56.400 -0.463 0.000 0.804 130 E CB -0.826 28.494 29.700 -0.634 0.000 0.740 130 E HN 0.416 nan 8.360 nan 0.000 0.454 131 P HA -0.153 nan 4.420 nan 0.000 0.218 131 P C 1.146 178.390 177.300 -0.092 0.000 1.148 131 P CA 0.908 63.942 63.100 -0.109 0.000 0.822 131 P CB 0.033 31.681 31.700 -0.086 0.000 0.784 132 L N -1.458 119.705 121.223 -0.100 0.000 2.131 132 L HA -0.034 4.307 4.340 0.000 0.000 0.206 132 L C 2.443 179.268 176.870 -0.075 0.000 1.087 132 L CA 1.232 56.026 54.840 -0.076 0.000 0.767 132 L CB -1.826 40.191 42.059 -0.071 0.000 0.917 132 L HN -0.101 nan 8.230 nan 0.000 0.441 133 V N 0.743 120.597 119.914 -0.101 0.000 2.287 133 V HA -0.277 3.843 4.120 0.000 0.000 0.248 133 V C 2.883 178.936 176.094 -0.068 0.000 1.053 133 V CA 1.674 63.922 62.300 -0.086 0.000 1.027 133 V CB -1.057 30.700 31.823 -0.110 0.000 0.646 133 V HN 0.451 nan 8.190 nan 0.000 0.447 134 A N -0.357 122.418 122.820 -0.075 0.000 1.940 134 A HA -0.231 4.090 4.320 0.000 0.000 0.219 134 A C 2.171 179.728 177.584 -0.045 0.000 1.176 134 A CA 2.249 54.253 52.037 -0.055 0.000 0.631 134 A CB -0.568 18.399 19.000 -0.055 0.000 0.814 134 A HN 0.458 nan 8.150 nan 0.000 0.446 135 L N -0.320 120.875 121.223 -0.046 0.000 2.056 135 L HA -0.078 4.262 4.340 0.000 0.000 0.207 135 L C 2.103 178.955 176.870 -0.030 0.000 1.078 135 L CA 1.505 56.324 54.840 -0.035 0.000 0.749 135 L CB -0.385 41.653 42.059 -0.035 0.000 0.901 135 L HN 0.318 nan 8.230 nan 0.000 0.433 136 I N -0.187 120.364 120.570 -0.032 0.000 2.226 136 I HA -0.255 3.915 4.170 0.000 0.000 0.245 136 I C 2.175 178.278 176.117 -0.025 0.000 1.100 136 I CA 1.158 62.443 61.300 -0.025 0.000 1.374 136 I CB -1.502 36.484 38.000 -0.023 0.000 1.057 136 I HN 0.298 nan 8.210 nan 0.000 0.413 137 D N 0.740 121.120 120.400 -0.033 0.000 2.133 137 D HA -0.204 4.436 4.640 0.000 0.000 0.195 137 D C 2.302 178.584 176.300 -0.030 0.000 0.997 137 D CA 1.275 55.253 54.000 -0.037 0.000 0.840 137 D CB -0.142 40.630 40.800 -0.047 0.000 0.947 137 D HN 0.511 nan 8.370 nan 0.000 0.452 138 Q N 0.087 119.871 119.800 -0.027 0.000 2.083 138 Q HA -0.075 4.265 4.340 0.000 0.000 0.198 138 Q C 2.271 178.262 176.000 -0.015 0.000 0.969 138 Q CA 0.708 56.499 55.803 -0.021 0.000 0.838 138 Q CB -0.159 28.567 28.738 -0.020 0.000 0.900 138 Q HN 0.372 nan 8.270 nan 0.000 0.436 139 Q N 0.250 120.041 119.800 -0.014 0.000 2.170 139 Q HA -0.141 4.199 4.340 0.000 0.000 0.203 139 Q C 2.255 178.252 176.000 -0.006 0.000 0.976 139 Q CA 1.373 57.170 55.803 -0.010 0.000 0.858 139 Q CB -0.042 28.690 28.738 -0.010 0.000 0.907 139 Q HN 0.215 nan 8.270 nan 0.000 0.433 140 S N 0.243 115.939 115.700 -0.008 0.000 2.345 140 S HA -0.216 4.254 4.470 0.000 0.000 0.220 140 S C 2.164 176.763 174.600 -0.002 0.000 1.031 140 S CA 1.648 59.846 58.200 -0.003 0.000 0.996 140 S CB -0.257 62.940 63.200 -0.005 0.000 0.882 140 S HN 0.507 nan 8.310 nan 0.000 0.445 141 Q N -0.423 119.373 119.800 -0.007 0.000 2.515 141 Q HA 0.488 4.828 4.340 0.000 0.000 0.212 141 Q C 1.684 177.683 176.000 -0.001 0.000 0.970 141 Q CA 1.245 57.046 55.803 -0.004 0.000 0.941 141 Q CB -0.914 27.818 28.738 -0.010 0.000 0.998 141 Q HN 0.822 nan 8.270 nan 0.000 0.518 142 A N -0.995 121.824 122.820 -0.002 0.000 2.382 142 A HA 0.496 4.816 4.320 0.000 0.000 0.228 142 A C 1.249 178.834 177.584 0.001 0.000 1.217 142 A CA 0.474 52.511 52.037 -0.001 0.000 0.923 142 A CB 0.522 19.520 19.000 -0.003 0.000 0.979 142 A HN 0.372 nan 8.150 nan 0.000 0.515 153 K N -0.137 120.298 120.400 0.060 0.000 2.063 153 K HA -0.090 4.230 4.320 0.000 0.000 0.208 153 K C 1.717 178.385 176.600 0.113 0.000 1.048 153 K CA 1.801 58.132 56.287 0.073 0.000 0.928 153 K CB -0.422 32.136 32.500 0.097 0.000 0.713 153 K HN 0.512 nan 8.250 nan 0.000 0.442 154 F N 2.390 122.356 119.950 0.027 0.000 2.134 154 F HA -0.144 4.383 4.527 0.000 0.000 0.299 154 F C 1.822 177.623 175.800 0.002 0.000 1.097 154 F CA 1.757 59.769 58.000 0.021 0.000 1.264 154 F CB -0.155 38.865 39.000 0.033 0.000 1.001 154 F HN 0.164 nan 8.300 nan 0.000 0.479 155 E N -0.443 119.732 120.200 -0.041 0.000 2.058 155 E HA -0.213 4.137 4.350 0.000 0.000 0.194 155 E C 2.301 178.794 176.600 -0.179 0.000 0.997 155 E CA 1.788 58.115 56.400 -0.121 0.000 0.801 155 E CB -0.391 29.308 29.700 -0.002 0.000 0.746 155 E HN 0.279 nan 8.360 nan 0.000 0.450 156 V N 1.330 121.177 119.914 -0.112 0.000 2.295 156 V HA -0.254 3.867 4.120 0.000 0.000 0.246 156 V C 2.322 178.311 176.094 -0.175 0.000 1.049 156 V CA 1.454 63.694 62.300 -0.099 0.000 1.024 156 V CB -0.462 31.357 31.823 -0.008 0.000 0.648 156 V HN 0.265 nan 8.190 nan 0.000 0.447 157 L N -0.265 120.836 121.223 -0.203 0.000 2.079 157 L HA -0.199 4.141 4.340 0.000 0.000 0.210 157 L C 2.612 179.224 176.870 -0.430 0.000 1.081 157 L CA 1.982 56.673 54.840 -0.249 0.000 0.752 157 L CB -0.929 41.047 42.059 -0.139 0.000 0.896 157 L HN 0.352 nan 8.230 nan 0.000 0.433 158 T N -0.332 113.850 114.554 -0.620 0.000 2.812 158 T HA 0.022 4.372 4.350 0.000 0.000 0.264 158 T C 1.123 175.393 174.700 -0.718 0.000 1.042 158 T CA 0.717 62.333 62.100 -0.807 0.000 1.140 158 T CB -0.157 68.198 68.868 -0.854 0.000 0.870 158 T HN 0.399 nan 8.240 nan 0.000 0.445 162 F N 1.709 121.326 119.950 -0.555 0.000 2.134 162 F HA 0.076 4.603 4.527 0.000 0.000 0.299 162 F C 2.859 178.611 175.800 -0.081 0.000 1.097 162 F CA 1.314 59.190 58.000 -0.207 0.000 1.264 162 F CB -0.928 38.059 39.000 -0.021 0.000 1.001 162 F HN 0.343 nan 8.300 nan 0.000 0.479 163 A N 0.016 122.855 122.820 0.033 0.000 1.877 163 A HA -0.021 4.299 4.320 0.000 0.000 0.216 163 A C 2.464 180.050 177.584 0.004 0.000 1.186 163 A CA 1.840 53.892 52.037 0.024 0.000 0.620 163 A CB -1.277 17.697 19.000 -0.043 0.000 0.822 163 A HN 0.283 nan 8.150 nan 0.000 0.443 164 A N -1.060 121.689 122.820 -0.118 0.000 1.969 164 A HA 0.044 4.364 4.320 0.000 0.000 0.218 164 A C 1.861 179.500 177.584 0.092 0.000 1.169 164 A CA 1.491 53.492 52.037 -0.060 0.000 0.635 164 A CB -0.680 18.237 19.000 -0.138 0.000 0.810 164 A HN 0.433 nan 8.150 nan 0.000 0.445 165 F N 0.117 120.069 119.950 0.003 0.000 2.186 165 F HA -0.011 4.516 4.527 0.000 0.000 0.299 165 F C 2.744 178.526 175.800 -0.031 0.000 1.090 165 F CA 0.244 58.158 58.000 -0.142 0.000 1.307 165 F CB -1.175 37.530 39.000 -0.492 0.000 1.019 165 F HN 0.278 nan 8.300 nan 0.000 0.489 166 A N -0.123 122.913 122.820 0.361 0.000 1.929 166 A HA -0.120 4.200 4.320 0.000 0.000 0.216 166 A C 1.961 179.644 177.584 0.164 0.000 1.176 166 A CA 1.552 53.778 52.037 0.314 0.000 0.628 166 A CB -0.698 18.471 19.000 0.281 0.000 0.816 166 A HN 0.205 nan 8.150 nan 0.000 0.444 167 D N 0.433 120.904 120.400 0.120 0.000 2.182 167 D HA -0.074 4.566 4.640 0.000 0.000 0.201 167 D C 2.169 178.513 176.300 0.073 0.000 0.986 167 D CA 1.350 55.395 54.000 0.075 0.000 0.847 167 D CB -0.343 40.486 40.800 0.049 0.000 0.942 167 D HN 0.432 nan 8.370 nan 0.000 0.467 168 A N 1.378 124.251 122.820 0.089 0.000 1.845 168 A HA -0.048 4.272 4.320 0.000 0.000 0.215 168 A C -0.890 176.725 177.584 0.053 0.000 1.195 168 A CA 0.870 52.948 52.037 0.068 0.000 0.616 168 A CB -1.587 17.455 19.000 0.069 0.000 0.832 168 A HN 0.268 nan 8.150 nan 0.000 0.443 169 P HA 0.500 nan 4.420 nan 0.000 0.280 169 P C -0.544 176.772 177.300 0.027 0.000 1.272 169 P CA -0.355 62.788 63.100 0.072 0.000 0.819 169 P CB 1.358 33.115 31.700 0.095 0.000 1.122 170 V N -2.518 117.382 119.914 -0.023 0.000 2.975 170 V HA 0.434 4.554 4.120 0.000 0.000 0.318 170 V C 0.543 176.615 176.094 -0.037 0.000 1.077 170 V CA -0.359 61.878 62.300 -0.105 0.000 1.000 170 V CB 1.320 32.949 31.823 -0.324 0.000 1.066 170 V HN 0.345 nan 8.190 nan 0.000 0.452 171 D N 0.536 120.916 120.400 -0.033 0.000 2.240 171 D HA 0.189 4.829 4.640 0.000 0.000 0.206 171 D C 0.283 176.606 176.300 0.038 0.000 0.963 171 D CA 1.229 55.256 54.000 0.045 0.000 0.863 171 D CB 0.866 41.713 40.800 0.079 0.000 0.973 171 D HN 0.451 nan 8.370 nan 0.000 0.501 172 V N 0.348 120.196 119.914 -0.110 0.000 2.851 172 V HA 0.633 4.753 4.120 0.000 0.000 0.307 172 V C -0.709 175.159 176.094 -0.376 0.000 1.129 172 V CA -1.251 60.926 62.300 -0.205 0.000 0.932 172 V CB 2.001 33.581 31.823 -0.405 0.000 1.024 172 V HN 0.064 nan 8.190 nan 0.000 0.426 173 A N 3.399 126.014 122.820 -0.340 0.000 2.324 173 A HA 0.920 5.240 4.320 0.000 0.000 0.330 173 A C -0.804 176.615 177.584 -0.276 0.000 1.165 173 A CA -0.635 51.105 52.037 -0.495 0.000 0.813 173 A CB 1.652 20.408 19.000 -0.407 0.000 1.197 173 A HN 0.834 nan 8.150 nan 0.000 0.484 174 V N 2.591 122.349 119.914 -0.259 0.000 2.378 174 V HA 0.460 4.580 4.120 0.000 0.000 0.288 174 V C -0.622 175.495 176.094 0.038 0.000 1.016 174 V CA -0.414 61.820 62.300 -0.111 0.000 0.840 174 V CB 1.315 33.060 31.823 -0.129 0.000 0.994 174 V HN 0.617 nan 8.190 nan 0.000 0.431 175 V N 4.494 124.486 119.914 0.131 0.000 2.443 175 V HA 0.405 4.525 4.120 0.000 0.000 0.293 175 V C -0.049 176.227 176.094 0.304 0.000 1.021 175 V CA -0.608 61.835 62.300 0.239 0.000 0.848 175 V CB 1.758 33.721 31.823 0.233 0.000 0.998 175 V HN 0.960 nan 8.190 nan 0.000 0.424 176 E N 3.955 124.309 120.200 0.257 0.000 2.249 176 E HA 0.470 4.821 4.350 0.000 0.000 0.280 176 E C -0.613 176.164 176.600 0.296 0.000 1.016 176 E CA -0.569 55.975 56.400 0.239 0.000 0.830 176 E CB 1.844 31.649 29.700 0.174 0.000 1.081 176 E HN 0.469 nan 8.360 nan 0.000 0.395 177 V N 4.090 124.151 119.914 0.245 0.000 2.694 177 V HA 0.064 4.184 4.120 0.000 0.000 0.306 177 V C 1.227 177.407 176.094 0.143 0.000 1.054 177 V CA 0.804 63.238 62.300 0.223 0.000 1.161 177 V CB 0.871 32.738 31.823 0.074 0.000 0.916 177 V HN 0.844 nan 8.190 nan 0.000 0.490 181 G N -0.624 108.171 108.800 -0.009 0.000 4.386 181 G HA2 0.032 3.992 3.960 0.000 0.000 0.183 181 G HA3 0.032 3.992 3.960 0.000 0.000 0.183 181 G C 1.189 176.022 174.900 -0.113 0.000 1.226 181 G CA 1.146 46.207 45.100 -0.066 0.000 0.926 181 G HN 0.630 nan 8.290 nan 0.000 0.306 182 R N -0.545 119.772 120.500 -0.306 0.000 2.103 182 R HA -0.069 4.271 4.340 0.000 0.000 0.242 182 R C 1.118 177.086 176.300 -0.554 0.000 1.142 182 R CA 2.202 57.933 56.100 -0.614 0.000 0.960 182 R CB -0.191 29.327 30.300 -1.302 0.000 0.858 182 R HN 0.479 nan 8.270 nan 0.000 0.439 183 W N 0.600 121.942 121.300 0.070 0.000 2.966 183 W HA 0.219 4.879 4.660 0.000 0.000 0.406 183 W C -0.449 176.134 176.519 0.107 0.000 1.027 183 W CA -1.073 56.320 57.345 0.079 0.000 1.930 183 W CB -0.443 29.053 29.460 0.060 0.000 1.144 183 W HN 0.071 nan 8.180 nan 0.000 0.626 184 D N 0.238 120.784 120.400 0.242 0.000 2.341 184 D HA 0.362 5.002 4.640 0.000 0.000 0.245 184 D C 1.516 178.005 176.300 0.314 0.000 1.106 184 D CA 0.328 54.494 54.000 0.276 0.000 0.905 184 D CB 1.823 42.770 40.800 0.245 0.000 1.202 184 D HN -0.058 nan 8.370 nan 0.000 0.426 185 A N 2.042 125.089 122.820 0.378 0.000 2.024 185 A HA -0.160 4.160 4.320 0.000 0.000 0.220 185 A C 1.966 179.703 177.584 0.254 0.000 1.164 185 A CA 2.074 54.267 52.037 0.261 0.000 0.643 185 A CB -1.044 18.037 19.000 0.134 0.000 0.806 185 A HN 0.738 nan 8.150 nan 0.000 0.451 186 T N -2.668 112.089 114.554 0.338 0.000 3.085 186 T HA -0.036 4.314 4.350 0.000 0.000 0.263 186 T C 0.984 175.895 174.700 0.351 0.000 1.127 186 T CA 0.955 63.291 62.100 0.392 0.000 1.103 186 T CB -0.473 68.670 68.868 0.459 0.000 0.921 186 T HN 0.319 nan 8.240 nan 0.000 0.510 187 N N 1.948 120.840 118.700 0.321 0.000 2.878 187 N HA 0.129 4.869 4.740 0.000 0.000 0.282 187 N C 0.523 176.119 175.510 0.143 0.000 1.284 187 N CA -0.175 53.044 53.050 0.282 0.000 1.053 187 N CB -0.151 38.459 38.487 0.203 0.000 1.382 187 N HN 0.489 nan 8.380 nan 0.000 0.529 188 V N -1.396 118.568 119.914 0.083 0.000 3.078 188 V HA 0.249 4.369 4.120 0.000 0.000 0.344 188 V C 1.016 177.033 176.094 -0.129 0.000 1.409 188 V CA -0.261 62.036 62.300 -0.005 0.000 1.146 188 V CB -0.865 30.963 31.823 0.009 0.000 1.126 188 V HN 0.297 nan 8.190 nan 0.000 0.513 189 I N -3.638 116.851 120.570 -0.136 0.000 4.187 189 I HA 0.479 4.649 4.170 0.000 0.000 0.326 189 I C 1.040 177.090 176.117 -0.112 0.000 1.302 189 I CA 0.100 61.270 61.300 -0.217 0.000 1.196 189 I CB 0.110 37.930 38.000 -0.299 0.000 1.095 189 I HN 0.364 nan 8.210 nan 0.000 0.411 190 N N 2.560 121.242 118.700 -0.031 0.000 2.727 190 N HA -0.191 4.549 4.740 0.000 0.000 0.251 190 N C 0.042 175.561 175.510 0.016 0.000 1.040 190 N CA 0.680 53.729 53.050 -0.001 0.000 0.712 190 N CB -0.977 37.491 38.487 -0.031 0.000 0.912 190 N HN 0.690 nan 8.380 nan 0.000 0.545 191 A N 0.988 123.845 122.820 0.063 0.000 2.511 191 A HA 0.308 4.628 4.320 0.000 0.000 0.242 191 A C -0.512 177.119 177.584 0.079 0.000 1.069 191 A CA -0.294 51.791 52.037 0.080 0.000 0.763 191 A CB 0.339 19.430 19.000 0.150 0.000 1.001 191 A HN 0.381 nan 8.150 nan 0.000 0.498 192 P HA 0.026 nan 4.420 nan 0.000 0.229 192 P C -0.093 177.251 177.300 0.072 0.000 1.160 192 P CA 0.813 63.944 63.100 0.051 0.000 0.777 192 P CB 0.084 31.795 31.700 0.018 0.000 0.814 193 V N 0.208 120.192 119.914 0.117 0.000 2.525 193 V HA 0.630 4.750 4.120 0.000 0.000 0.299 193 V C -0.303 175.855 176.094 0.106 0.000 1.034 193 V CA -1.031 61.332 62.300 0.105 0.000 0.863 193 V CB 1.764 33.664 31.823 0.128 0.000 0.999 193 V HN 0.038 nan 8.190 nan 0.000 0.423 194 A N 4.809 127.677 122.820 0.081 0.000 2.331 194 A HA 0.904 5.224 4.320 0.000 0.000 0.320 194 A C -0.892 176.718 177.584 0.044 0.000 1.138 194 A CA -0.548 51.529 52.037 0.067 0.000 0.790 194 A CB 1.581 20.604 19.000 0.038 0.000 1.206 194 A HN 0.677 nan 8.150 nan 0.000 0.470 195 V N 3.886 123.820 119.914 0.034 0.000 2.495 195 V HA 0.453 4.573 4.120 0.000 0.000 0.298 195 V C -0.655 175.455 176.094 0.026 0.000 1.031 195 V CA -0.497 61.826 62.300 0.038 0.000 0.871 195 V CB 1.599 33.444 31.823 0.038 0.000 0.988 195 V HN 0.706 nan 8.190 nan 0.000 0.432 196 I N 4.114 124.710 120.570 0.044 0.000 2.420 196 I HA 0.308 4.478 4.170 0.000 0.000 0.282 196 I C 0.716 176.867 176.117 0.057 0.000 1.019 196 I CA -0.130 61.190 61.300 0.034 0.000 1.130 196 I CB 1.480 39.495 38.000 0.024 0.000 1.262 196 I HN 0.778 nan 8.210 nan 0.000 0.454 197 T N 4.258 118.843 114.554 0.052 0.000 2.754 197 T HA 0.425 4.775 4.350 0.000 0.000 0.286 197 T C -2.562 172.165 174.700 0.044 0.000 0.997 197 T CA -1.502 60.636 62.100 0.063 0.000 0.982 197 T CB 0.608 69.514 68.868 0.064 0.000 1.027 197 T HN 0.207 nan 8.240 nan 0.000 0.529 198 P HA 0.245 nan 4.420 nan 0.000 0.265 198 P C -0.719 176.587 177.300 0.010 0.000 1.193 198 P CA 0.140 63.249 63.100 0.015 0.000 0.765 198 P CB 0.144 31.846 31.700 0.003 0.000 0.823 199 I N 2.525 123.098 120.570 0.004 0.000 2.412 199 I HA 0.425 4.595 4.170 0.000 0.000 0.296 199 I C 0.751 176.868 176.117 -0.000 0.000 0.987 199 I CA 0.207 61.511 61.300 0.006 0.000 1.180 199 I CB 1.458 39.464 38.000 0.010 0.000 1.340 199 I HN 0.476 nan 8.210 nan 0.000 0.455 200 S N 5.666 121.367 115.700 0.003 0.000 3.003 200 S HA 0.552 5.022 4.470 0.000 0.000 0.313 200 S C -0.958 173.648 174.600 0.011 0.000 1.230 200 S CA -0.903 57.295 58.200 -0.002 0.000 0.977 200 S CB 1.049 64.237 63.200 -0.020 0.000 1.340 200 S HN 0.237 nan 8.310 nan 0.000 0.608 201 I N 1.989 122.563 120.570 0.006 0.000 2.440 201 I HA 0.562 4.732 4.170 0.000 0.000 0.294 201 I C 0.627 176.756 176.117 0.020 0.000 0.995 201 I CA 0.216 61.528 61.300 0.020 0.000 1.306 201 I CB 1.397 39.403 38.000 0.010 0.000 1.407 201 I HN 1.009 nan 8.210 nan 0.000 0.501 202 D N 2.928 123.359 120.400 0.053 0.000 2.887 202 D HA -0.034 4.606 4.640 0.000 0.000 0.162 202 D C 0.258 176.613 176.300 0.092 0.000 1.495 202 D CA 0.313 54.362 54.000 0.082 0.000 1.531 202 D CB -0.057 40.818 40.800 0.125 0.000 1.459 202 D HN 0.501 nan 8.370 nan 0.000 0.256 203 H N 1.080 120.171 119.070 0.035 0.000 2.848 203 H HA 0.464 5.020 4.556 0.000 0.000 0.317 203 H C -0.782 174.543 175.328 -0.005 0.000 1.046 203 H CA 0.078 56.131 56.048 0.008 0.000 1.470 203 H CB 0.610 30.371 29.762 -0.001 0.000 1.483 203 H HN -0.186 nan 8.280 nan 0.000 0.548 204 V N 6.665 126.243 119.914 -0.560 0.000 2.328 204 V HA 0.084 4.205 4.120 0.000 0.000 0.278 204 V C 0.247 176.100 176.094 -0.403 0.000 1.021 204 V CA -0.411 61.697 62.300 -0.321 0.000 0.838 204 V CB 1.405 33.109 31.823 -0.198 0.000 0.999 204 V HN 0.912 nan 8.190 nan 0.000 0.447 205 D N 2.719 122.960 120.400 -0.266 0.000 2.355 205 D HA 0.131 4.771 4.640 0.000 0.000 0.206 205 D C -0.316 175.525 176.300 -0.766 0.000 1.010 205 D CA 1.144 54.850 54.000 -0.490 0.000 0.875 205 D CB 0.636 41.134 40.800 -0.503 0.000 0.966 205 D HN 0.520 nan 8.370 nan 0.000 0.512 206 Y N -0.698 119.587 120.300 -0.024 0.000 2.588 206 Y HA 0.281 4.831 4.550 0.000 0.000 0.343 206 Y C 1.035 176.922 175.900 -0.021 0.000 1.065 206 Y CA -0.836 57.254 58.100 -0.016 0.000 1.038 206 Y CB 1.236 39.694 38.460 -0.002 0.000 1.297 206 Y HN -0.388 nan 8.280 nan 0.000 0.467 207 L N 0.904 122.223 121.223 0.160 0.000 2.005 207 L HA 0.019 4.359 4.340 0.000 0.000 0.207 207 L C 1.367 178.282 176.870 0.074 0.000 1.072 207 L CA 1.302 56.189 54.840 0.079 0.000 0.744 207 L CB -0.578 41.515 42.059 0.055 0.000 0.895 207 L HN 0.819 nan 8.230 nan 0.000 0.433 208 G N -0.467 108.380 108.800 0.079 0.000 2.594 208 G HA2 0.410 4.370 3.960 0.000 0.000 0.243 208 G HA3 0.410 4.370 3.960 0.000 0.000 0.243 208 G C -0.662 174.279 174.900 0.069 0.000 1.229 208 G CA 0.160 45.286 45.100 0.043 0.000 0.843 208 G HN 0.338 nan 8.290 nan 0.000 0.578 209 A N 0.714 123.559 122.820 0.041 0.000 2.343 209 A HA 0.534 4.854 4.320 0.000 0.000 0.308 209 A C -0.522 177.083 177.584 0.035 0.000 1.092 209 A CA -0.587 51.483 52.037 0.055 0.000 0.751 209 A CB 1.694 20.718 19.000 0.040 0.000 1.203 209 A HN 0.528 nan 8.150 nan 0.000 0.452 210 D N 2.985 123.414 120.400 0.049 0.000 2.631 210 D HA 0.155 4.795 4.640 0.000 0.000 0.227 210 D C 0.810 177.134 176.300 0.040 0.000 1.146 210 D CA -0.252 53.768 54.000 0.033 0.000 1.009 210 D CB 0.015 40.838 40.800 0.038 0.000 1.057 210 D HN 0.389 nan 8.370 nan 0.000 0.509 211 I N 1.850 122.437 120.570 0.029 0.000 2.361 211 I HA -0.176 3.994 4.170 0.000 0.000 0.251 211 I C 2.036 178.169 176.117 0.026 0.000 1.133 211 I CA 1.114 62.431 61.300 0.028 0.000 1.413 211 I CB 0.062 38.072 38.000 0.017 0.000 1.073 211 I HN 0.319 nan 8.210 nan 0.000 0.424 212 A N -0.021 122.813 122.820 0.022 0.000 1.902 212 A HA -0.080 4.240 4.320 0.000 0.000 0.217 212 A C 2.434 180.038 177.584 0.033 0.000 1.181 212 A CA 1.627 53.677 52.037 0.022 0.000 0.623 212 A CB -1.617 17.393 19.000 0.017 0.000 0.818 212 A HN 0.465 nan 8.150 nan 0.000 0.443 213 G N -0.108 108.719 108.800 0.045 0.000 2.408 213 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 213 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 213 G C 1.515 176.462 174.900 0.078 0.000 1.150 213 G CA 1.038 46.180 45.100 0.069 0.000 0.776 213 G HN 0.479 nan 8.290 nan 0.000 0.542 214 I N 1.368 121.980 120.570 0.069 0.000 2.179 214 I HA -0.180 3.990 4.170 0.000 0.000 0.242 214 I C 3.319 179.461 176.117 0.042 0.000 1.088 214 I CA 1.015 62.355 61.300 0.067 0.000 1.357 214 I CB -0.312 37.726 38.000 0.064 0.000 1.051 214 I HN 0.238 nan 8.210 nan 0.000 0.409 215 A N 1.137 123.973 122.820 0.028 0.000 1.883 215 A HA -0.167 4.153 4.320 0.000 0.000 0.217 215 A C 2.456 180.039 177.584 -0.002 0.000 1.186 215 A CA 2.081 54.125 52.037 0.011 0.000 0.624 215 A CB -1.554 17.452 19.000 0.009 0.000 0.822 215 A HN 0.475 nan 8.150 nan 0.000 0.444 216 G N -0.685 108.118 108.800 0.006 0.000 2.440 216 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 216 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 216 G C 1.493 176.357 174.900 -0.059 0.000 1.154 216 G CA 1.193 46.286 45.100 -0.013 0.000 0.767 216 G HN 0.680 nan 8.290 nan 0.000 0.552 217 E N 0.466 120.647 120.200 -0.031 0.000 2.051 217 E HA -0.156 4.194 4.350 0.000 0.000 0.192 217 E C 2.439 178.962 176.600 -0.129 0.000 0.991 217 E CA 1.189 57.529 56.400 -0.100 0.000 0.799 217 E CB -0.089 29.648 29.700 0.062 0.000 0.748 217 E HN 0.417 nan 8.360 nan 0.000 0.449 218 K N -0.020 120.343 120.400 -0.062 0.000 2.147 218 K HA -0.090 4.231 4.320 0.000 0.000 0.205 218 K C 2.069 178.613 176.600 -0.094 0.000 1.049 218 K CA 0.912 57.158 56.287 -0.068 0.000 0.936 218 K CB -0.091 32.389 32.500 -0.033 0.000 0.722 218 K HN 0.107 nan 8.250 nan 0.000 0.446 219 A N 1.398 124.169 122.820 -0.083 0.000 2.121 219 A HA -0.049 4.271 4.320 0.000 0.000 0.218 219 A C 2.252 179.771 177.584 -0.108 0.000 1.154 219 A CA 1.411 53.402 52.037 -0.077 0.000 0.679 219 A CB -0.870 18.098 19.000 -0.054 0.000 0.795 219 A HN 0.416 nan 8.150 nan 0.000 0.458 220 G N 0.690 109.389 108.800 -0.169 0.000 2.586 220 G HA2 -0.088 3.872 3.960 0.000 0.000 0.215 220 G HA3 -0.088 3.872 3.960 0.000 0.000 0.215 220 G C 1.271 176.085 174.900 -0.142 0.000 1.128 220 G CA 1.018 45.992 45.100 -0.210 0.000 0.774 220 G HN 0.900 nan 8.290 nan 0.000 0.543 221 I N -2.155 118.336 120.570 -0.132 0.000 3.578 221 I HA 0.376 4.546 4.170 0.000 0.000 0.295 221 I C 0.403 176.505 176.117 -0.026 0.000 1.280 221 I CA -0.211 61.027 61.300 -0.104 0.000 1.347 221 I CB 0.164 37.937 38.000 -0.379 0.000 1.051 221 I HN -0.138 nan 8.210 nan 0.000 0.460 222 I N 3.689 124.237 120.570 -0.037 0.000 2.322 222 I HA 0.187 4.358 4.170 0.000 0.000 0.292 222 I C 0.329 176.444 176.117 -0.003 0.000 1.060 222 I CA -0.066 61.230 61.300 -0.006 0.000 1.309 222 I CB 0.638 38.632 38.000 -0.011 0.000 1.415 222 I HN 0.282 nan 8.210 nan 0.000 0.492 223 T N 2.915 117.478 114.554 0.015 0.000 2.908 223 T HA 0.470 4.820 4.350 0.000 0.000 0.290 223 T C -0.199 174.506 174.700 0.008 0.000 1.034 223 T CA -1.077 61.029 62.100 0.009 0.000 1.010 223 T CB 1.814 70.692 68.868 0.018 0.000 1.068 223 T HN 0.540 nan 8.240 nan 0.000 0.481 224 R N 1.241 121.742 120.500 0.002 0.000 2.537 224 R HA 0.530 4.870 4.340 0.000 0.000 0.280 224 R C 0.389 176.688 176.300 -0.001 0.000 1.058 224 R CA -0.245 55.856 56.100 0.001 0.000 1.057 224 R CB -0.037 30.262 30.300 -0.001 0.000 0.973 224 R HN 0.916 nan 8.270 nan 0.000 0.438 225 A N 5.898 128.716 122.820 -0.003 0.000 2.366 225 A HA 0.372 4.692 4.320 0.000 0.000 0.249 225 A C -1.910 175.667 177.584 -0.012 0.000 1.084 225 A CA -1.297 50.735 52.037 -0.008 0.000 0.794 225 A CB -0.149 18.844 19.000 -0.011 0.000 1.034 225 A HN 0.714 nan 8.150 nan 0.000 0.491 230 P HA 0.222 nan 4.420 nan 0.000 0.267 230 P C -0.695 176.591 177.300 -0.023 0.000 1.201 230 P CA -0.173 62.909 63.100 -0.031 0.000 0.775 230 P CB 0.256 31.928 31.700 -0.047 0.000 0.854 231 D N 0.458 120.850 120.400 -0.013 0.000 2.400 231 D HA 0.030 4.670 4.640 0.000 0.000 0.238 231 D C 0.237 176.535 176.300 -0.003 0.000 1.157 231 D CA 0.462 54.459 54.000 -0.006 0.000 0.889 231 D CB 0.284 41.085 40.800 0.001 0.000 1.199 231 D HN 0.282 nan 8.370 nan 0.000 0.436 232 T N 0.730 115.286 114.554 0.004 0.000 2.932 232 T HA 0.190 4.540 4.350 0.000 0.000 0.312 232 T C 0.168 174.880 174.700 0.020 0.000 1.071 232 T CA -0.288 61.820 62.100 0.014 0.000 1.128 232 T CB 0.615 69.495 68.868 0.020 0.000 0.984 232 T HN -0.002 nan 8.240 nan 0.000 0.549 233 V N 2.119 122.050 119.914 0.029 0.000 2.448 233 V HA 0.647 4.767 4.120 0.000 0.000 0.295 233 V C 0.185 176.308 176.094 0.047 0.000 1.025 233 V CA -1.097 61.226 62.300 0.038 0.000 0.859 233 V CB 1.447 33.293 31.823 0.038 0.000 0.988 233 V HN 1.058 nan 8.190 nan 0.000 0.431 234 A N 4.938 127.789 122.820 0.051 0.000 2.260 234 A HA 0.775 5.095 4.320 0.000 0.000 0.314 234 A C -0.592 177.043 177.584 0.085 0.000 1.257 234 A CA -0.436 51.635 52.037 0.056 0.000 0.871 234 A CB 0.918 19.944 19.000 0.044 0.000 1.166 234 A HN 0.692 nan 8.150 nan 0.000 0.522 235 V N 4.707 124.675 119.914 0.090 0.000 2.357 235 V HA 0.402 4.522 4.120 0.000 0.000 0.284 235 V C -0.265 175.936 176.094 0.179 0.000 1.018 235 V CA -0.098 62.286 62.300 0.140 0.000 0.841 235 V CB 0.871 32.718 31.823 0.040 0.000 0.991 235 V HN 0.744 nan 8.190 nan 0.000 0.437 236 I N 3.828 124.558 120.570 0.267 0.000 2.436 236 I HA 0.589 4.759 4.170 0.000 0.000 0.289 236 I C 1.032 177.289 176.117 0.234 0.000 1.010 236 I CA -0.318 61.094 61.300 0.186 0.000 1.098 236 I CB 1.958 40.020 38.000 0.103 0.000 1.266 236 I HN 0.700 nan 8.210 nan 0.000 0.434 237 G N 5.059 113.967 108.800 0.181 0.000 2.553 237 G HA2 0.319 4.280 3.960 0.000 0.000 0.278 237 G HA3 0.319 4.280 3.960 0.000 0.000 0.278 237 G C -0.047 174.876 174.900 0.038 0.000 1.349 237 G CA -0.637 44.557 45.100 0.157 0.000 1.037 237 G HN 0.552 nan 8.290 nan 0.000 0.508 238 R N 0.204 120.697 120.500 -0.011 0.000 2.489 238 R HA 0.210 4.551 4.340 0.000 0.000 0.287 238 R C -0.200 176.073 176.300 -0.046 0.000 1.053 238 R CA 0.363 56.421 56.100 -0.070 0.000 1.036 238 R CB 0.377 30.588 30.300 -0.149 0.000 0.966 238 R HN 0.400 nan 8.270 nan 0.000 0.432 239 Q N 1.171 120.946 119.800 -0.042 0.000 2.495 239 Q HA 0.293 4.633 4.340 0.000 0.000 0.287 239 Q C -0.581 175.400 176.000 -0.031 0.000 1.078 239 Q CA -0.914 54.873 55.803 -0.028 0.000 0.793 239 Q CB 1.941 30.670 28.738 -0.014 0.000 1.459 239 Q HN 0.463 nan 8.270 nan 0.000 0.422 240 V N -1.392 118.508 119.914 -0.024 0.000 3.003 240 V HA 0.230 4.350 4.120 0.000 0.000 0.305 240 V C -1.783 174.301 176.094 -0.018 0.000 1.078 240 V CA -1.149 61.138 62.300 -0.022 0.000 1.083 240 V CB 0.178 31.990 31.823 -0.018 0.000 1.039 240 V HN 0.571 nan 8.190 nan 0.000 0.481 241 P HA -0.110 nan 4.420 nan 0.000 0.216 241 P C 1.867 179.161 177.300 -0.009 0.000 1.157 241 P CA 2.887 65.979 63.100 -0.014 0.000 0.880 241 P CB -0.113 31.579 31.700 -0.014 0.000 0.791 242 K N -0.179 120.216 120.400 -0.007 0.000 2.148 242 K HA -0.017 4.303 4.320 0.000 0.000 0.204 242 K C 1.335 177.935 176.600 -0.001 0.000 1.050 242 K CA 1.197 57.482 56.287 -0.003 0.000 0.942 242 K CB -1.458 31.041 32.500 -0.002 0.000 0.724 242 K HN -0.002 nan 8.250 nan 0.000 0.446 246 V N 1.796 121.710 119.914 0.001 0.000 2.343 246 V HA -0.140 3.980 4.120 0.000 0.000 0.247 246 V C 2.757 178.850 176.094 -0.001 0.000 1.051 246 V CA 2.095 64.396 62.300 0.001 0.000 1.036 246 V CB -0.561 31.264 31.823 0.004 0.000 0.654 246 V HN 0.579 nan 8.190 nan 0.000 0.451 247 L N -0.827 120.395 121.223 -0.001 0.000 2.083 247 L HA -0.166 4.174 4.340 0.000 0.000 0.209 247 L C 2.386 179.258 176.870 0.003 0.000 1.083 247 L CA 1.407 56.247 54.840 -0.000 0.000 0.752 247 L CB -0.571 41.490 42.059 0.005 0.000 0.899 247 L HN 0.300 nan 8.230 nan 0.000 0.433 248 L N -0.323 120.903 121.223 0.005 0.000 2.056 248 L HA -0.164 4.176 4.340 0.000 0.000 0.207 248 L C 2.942 179.815 176.870 0.005 0.000 1.078 248 L CA 1.043 55.887 54.840 0.007 0.000 0.749 248 L CB -0.788 41.275 42.059 0.005 0.000 0.901 248 L HN 0.228 nan 8.230 nan 0.000 0.433 249 A N 0.020 122.842 122.820 0.003 0.000 1.883 249 A HA -0.204 4.116 4.320 0.000 0.000 0.217 249 A C 2.202 179.787 177.584 0.000 0.000 1.186 249 A CA 1.633 53.671 52.037 0.002 0.000 0.624 249 A CB -0.382 18.620 19.000 0.002 0.000 0.822 249 A HN 0.384 nan 8.150 nan 0.000 0.444 250 E N 0.252 120.450 120.200 -0.004 0.000 2.150 250 E HA -0.082 4.268 4.350 0.000 0.000 0.193 250 E C 2.239 178.835 176.600 -0.006 0.000 0.985 250 E CA 1.217 57.611 56.400 -0.009 0.000 0.814 250 E CB -0.452 29.235 29.700 -0.020 0.000 0.752 250 E HN 0.569 nan 8.360 nan 0.000 0.466 251 S N 0.647 116.347 115.700 0.000 0.000 2.406 251 S HA -0.069 4.401 4.470 0.000 0.000 0.228 251 S C 2.261 176.865 174.600 0.007 0.000 1.020 251 S CA 0.628 58.831 58.200 0.006 0.000 0.965 251 S CB -0.055 63.153 63.200 0.014 0.000 0.798 251 S HN 0.048 nan 8.310 nan 0.000 0.488 252 V N 2.055 121.972 119.914 0.006 0.000 2.343 252 V HA -0.204 3.916 4.120 0.000 0.000 0.247 252 V C 3.046 179.143 176.094 0.004 0.000 1.051 252 V CA 2.193 64.497 62.300 0.006 0.000 1.036 252 V CB -1.177 30.650 31.823 0.006 0.000 0.654 252 V HN 0.595 nan 8.190 nan 0.000 0.451 253 R N 0.140 120.641 120.500 0.002 0.000 2.120 253 R HA 0.054 4.394 4.340 0.000 0.000 0.234 253 R C 2.069 178.369 176.300 0.000 0.000 1.123 253 R CA 1.760 57.861 56.100 0.001 0.000 0.975 253 R CB -1.369 28.930 30.300 -0.001 0.000 0.866 253 R HN 0.644 nan 8.270 nan 0.000 0.446 254 A N -0.292 122.528 122.820 -0.001 0.000 2.251 254 A HA 0.210 4.530 4.320 0.000 0.000 0.209 254 A C 0.563 178.149 177.584 0.003 0.000 1.187 254 A CA 0.541 52.578 52.037 0.000 0.000 0.823 254 A CB -0.097 18.903 19.000 -0.001 0.000 0.846 254 A HN 0.567 nan 8.150 nan 0.000 0.486 255 D N -1.527 118.876 120.400 0.004 0.000 2.837 255 D HA -0.173 4.468 4.640 0.000 0.000 0.230 255 D C 0.277 176.582 176.300 0.009 0.000 1.152 255 D CA 0.981 54.985 54.000 0.006 0.000 0.736 255 D CB -1.187 39.616 40.800 0.004 0.000 1.084 255 D HN 0.652 nan 8.370 nan 0.000 0.429 256 A N 0.153 122.980 122.820 0.011 0.000 2.309 256 A HA 0.555 4.875 4.320 0.000 0.000 0.298 256 A C 0.621 178.218 177.584 0.021 0.000 1.165 256 A CA -0.208 51.838 52.037 0.016 0.000 0.821 256 A CB 1.025 20.036 19.000 0.018 0.000 1.102 256 A HN 0.096 nan 8.150 nan 0.000 0.500 257 S N 0.369 116.084 115.700 0.025 0.000 2.564 257 S HA 0.406 4.876 4.470 0.000 0.000 0.278 257 S C -0.006 174.621 174.600 0.046 0.000 1.333 257 S CA -0.350 57.869 58.200 0.033 0.000 1.048 257 S CB 0.847 64.067 63.200 0.033 0.000 0.900 257 S HN 0.562 nan 8.310 nan 0.000 0.505 258 V N 1.867 121.813 119.914 0.054 0.000 2.555 258 V HA 0.778 4.898 4.120 0.000 0.000 0.302 258 V C -0.070 176.085 176.094 0.102 0.000 1.038 258 V CA -0.744 61.598 62.300 0.071 0.000 0.887 258 V CB 1.630 33.485 31.823 0.053 0.000 0.991 258 V HN 0.970 nan 8.190 nan 0.000 0.434 259 A N 5.281 128.197 122.820 0.161 0.000 2.330 259 A HA 0.892 5.212 4.320 0.000 0.000 0.313 259 A C -0.455 177.327 177.584 0.330 0.000 1.124 259 A CA -0.737 51.461 52.037 0.268 0.000 0.774 259 A CB 1.120 20.325 19.000 0.342 0.000 1.198 259 A HN 0.837 nan 8.150 nan 0.000 0.465 260 R N 1.373 121.933 120.500 0.100 0.000 2.599 260 R HA 0.390 4.730 4.340 0.000 0.000 0.295 260 R C -0.429 175.451 176.300 -0.700 0.000 0.963 260 R CA -0.686 55.342 56.100 -0.120 0.000 0.883 260 R CB 2.220 32.466 30.300 -0.090 0.000 1.171 260 R HN 0.895 nan 8.270 nan 0.000 0.450 261 E N 2.058 121.740 120.200 -0.864 0.000 2.452 261 E HA -0.150 4.200 4.350 0.000 0.000 0.261 261 E C -0.403 175.880 176.600 -0.529 0.000 0.987 261 E CA 0.516 56.274 56.400 -1.070 0.000 0.926 261 E CB 0.329 29.795 29.700 -0.389 0.000 0.934 261 E HN 0.557 nan 8.360 nan 0.000 0.452 262 D N 1.937 122.080 120.400 -0.429 0.000 2.946 262 D HA -0.178 4.462 4.640 0.000 0.000 0.202 262 D C 0.293 176.494 176.300 -0.166 0.000 1.068 262 D CA 1.415 55.295 54.000 -0.200 0.000 1.011 262 D CB -1.233 39.491 40.800 -0.126 0.000 1.105 262 D HN 0.333 nan 8.370 nan 0.000 0.425 263 S N -0.871 114.696 115.700 -0.221 0.000 3.039 263 S HA 0.090 4.560 4.470 0.000 0.000 0.251 263 S C 1.450 176.009 174.600 -0.069 0.000 1.064 263 S CA 0.146 58.277 58.200 -0.114 0.000 0.822 263 S CB 0.619 63.766 63.200 -0.087 0.000 0.802 263 S HN 0.050 nan 8.310 nan 0.000 0.519 264 E N 0.596 120.745 120.200 -0.084 0.000 2.415 264 E HA 0.322 4.672 4.350 0.000 0.000 0.197 264 E C -0.210 176.530 176.600 0.235 0.000 1.007 264 E CA 0.176 56.636 56.400 0.099 0.000 0.890 264 E CB 0.396 30.227 29.700 0.218 0.000 0.891 264 E HN 0.579 nan 8.360 nan 0.000 0.496 265 F N -2.103 117.885 119.950 0.063 0.000 2.713 265 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 265 F C -1.228 174.615 175.800 0.072 0.000 1.141 265 F CA -1.751 56.294 58.000 0.076 0.000 0.939 265 F CB 0.937 39.990 39.000 0.088 0.000 1.325 265 F HN -0.213 nan 8.300 nan 0.000 0.453 266 A N 0.603 123.564 122.820 0.235 0.000 2.599 266 A HA 0.619 4.939 4.320 0.000 0.000 0.294 266 A C -1.988 175.678 177.584 0.136 0.000 1.055 266 A CA -0.823 51.285 52.037 0.118 0.000 0.683 266 A CB 1.085 20.107 19.000 0.036 0.000 1.278 266 A HN 1.098 nan 8.150 nan 0.000 0.412 267 V N 3.086 123.051 119.914 0.085 0.000 2.439 267 V HA 0.128 4.249 4.120 0.000 0.000 0.271 267 V C 1.242 177.343 176.094 0.012 0.000 1.040 267 V CA 0.265 62.565 62.300 -0.000 0.000 1.002 267 V CB 0.334 32.080 31.823 -0.128 0.000 1.000 267 V HN 0.786 nan 8.190 nan 0.000 0.477 268 L N 4.690 125.923 121.223 0.016 0.000 2.102 268 L HA 0.223 4.563 4.340 0.000 0.000 0.202 268 L C 1.019 177.888 176.870 -0.002 0.000 1.076 268 L CA 1.052 55.901 54.840 0.016 0.000 0.761 268 L CB -0.045 42.030 42.059 0.027 0.000 0.921 268 L HN 0.580 nan 8.230 nan 0.000 0.444 269 R N -0.402 120.088 120.500 -0.016 0.000 2.739 269 R HA 0.607 4.947 4.340 0.000 0.000 0.271 269 R C -1.082 175.190 176.300 -0.046 0.000 1.010 269 R CA -0.792 55.293 56.100 -0.024 0.000 0.897 269 R CB 2.570 32.862 30.300 -0.013 0.000 1.236 269 R HN -0.035 nan 8.270 nan 0.000 0.466 270 R N 1.389 121.860 120.500 -0.048 0.000 2.561 270 R HA 0.285 4.625 4.340 0.000 0.000 0.266 270 R C -1.592 174.681 176.300 -0.046 0.000 1.091 270 R CA -0.583 55.479 56.100 -0.064 0.000 0.927 270 R CB 2.261 32.505 30.300 -0.094 0.000 1.240 270 R HN 0.649 nan 8.270 nan 0.000 0.449 271 Q N 4.063 123.840 119.800 -0.039 0.000 2.356 271 Q HA 0.370 4.710 4.340 0.000 0.000 0.270 271 Q C -0.255 175.730 176.000 -0.024 0.000 1.058 271 Q CA -1.247 54.540 55.803 -0.026 0.000 0.802 271 Q CB 2.239 30.971 28.738 -0.010 0.000 1.303 271 Q HN 0.494 nan 8.270 nan 0.000 0.444 272 I N 1.617 122.170 120.570 -0.028 0.000 2.813 272 I HA 0.242 4.413 4.170 0.000 0.000 0.287 272 I C 0.356 176.475 176.117 0.004 0.000 1.196 272 I CA 0.580 61.864 61.300 -0.027 0.000 1.421 272 I CB -0.024 37.942 38.000 -0.056 0.000 1.365 272 I HN 0.671 nan 8.210 nan 0.000 0.591 273 A N 5.452 128.296 122.820 0.040 0.000 2.587 273 A HA 0.603 4.923 4.320 0.000 0.000 0.293 273 A C -0.838 176.821 177.584 0.125 0.000 1.087 273 A CA -0.647 51.449 52.037 0.099 0.000 0.692 273 A CB 1.133 20.259 19.000 0.210 0.000 1.291 273 A HN 0.322 nan 8.150 nan 0.000 0.407 274 V N 1.650 121.628 119.914 0.107 0.000 2.539 274 V HA 0.357 4.477 4.120 0.000 0.000 0.300 274 V C 1.605 177.829 176.094 0.216 0.000 1.019 274 V CA 2.322 64.691 62.300 0.116 0.000 1.160 274 V CB 0.019 31.875 31.823 0.056 0.000 0.901 274 V HN 2.294 nan 8.190 nan 0.000 0.481 275 G N 3.250 112.195 108.800 0.241 0.000 2.176 275 G HA2 0.015 3.975 3.960 0.000 0.000 0.253 275 G HA3 0.015 3.975 3.960 0.000 0.000 0.253 275 G C 0.662 175.585 174.900 0.039 0.000 0.979 275 G CA 0.156 45.400 45.100 0.241 0.000 0.641 275 G HN 1.813 nan 8.290 nan 0.000 0.530 276 G N -0.963 107.862 108.800 0.042 0.000 2.520 276 G HA2 0.637 4.597 3.960 0.000 0.000 0.067 276 G HA3 0.637 4.597 3.960 0.000 0.000 0.067 276 G C -0.662 174.178 174.900 -0.099 0.000 0.977 276 G CA 0.932 45.909 45.100 -0.204 0.000 1.152 276 G HN 1.690 nan 8.290 nan 0.000 0.479 277 Q N -1.108 118.556 119.800 -0.227 0.000 2.633 277 Q HA 0.663 5.003 4.340 0.000 0.000 0.289 277 Q C -1.978 173.952 176.000 -0.116 0.000 0.940 277 Q CA -0.978 54.754 55.803 -0.118 0.000 0.785 277 Q CB 2.389 31.041 28.738 -0.144 0.000 1.467 277 Q HN 0.712 nan 8.270 nan 0.000 0.401 278 V N 1.948 121.847 119.914 -0.025 0.000 2.495 278 V HA 0.559 4.680 4.120 0.000 0.000 0.298 278 V C -0.508 175.554 176.094 -0.054 0.000 1.031 278 V CA -0.604 61.700 62.300 0.007 0.000 0.871 278 V CB 1.482 33.350 31.823 0.075 0.000 0.988 278 V HN 0.606 nan 8.190 nan 0.000 0.432 279 L N 3.949 125.123 121.223 -0.082 0.000 2.333 279 L HA 0.668 5.008 4.340 0.000 0.000 0.269 279 L C -0.460 176.382 176.870 -0.047 0.000 1.010 279 L CA -0.578 54.200 54.840 -0.103 0.000 0.818 279 L CB 2.051 43.985 42.059 -0.207 0.000 1.306 279 L HN 0.600 nan 8.230 nan 0.000 0.430 280 Q N 2.696 122.479 119.800 -0.030 0.000 2.333 280 Q HA 0.620 4.960 4.340 0.000 0.000 0.268 280 Q C -1.814 174.202 176.000 0.026 0.000 1.007 280 Q CA -0.524 55.288 55.803 0.014 0.000 0.810 280 Q CB 1.688 30.437 28.738 0.018 0.000 1.264 280 Q HN 0.569 nan 8.270 nan 0.000 0.452 281 L N 3.258 124.529 121.223 0.080 0.000 2.341 281 L HA 0.448 4.788 4.340 0.000 0.000 0.278 281 L C -0.431 176.562 176.870 0.205 0.000 1.005 281 L CA -0.786 54.123 54.840 0.115 0.000 0.818 281 L CB 2.050 44.163 42.059 0.090 0.000 1.259 281 L HN 0.620 nan 8.230 nan 0.000 0.418 282 Q N 1.772 121.681 119.800 0.183 0.000 2.349 282 Q HA 0.452 4.792 4.340 0.000 0.000 0.254 282 Q C 0.024 176.203 176.000 0.298 0.000 0.980 282 Q CA -0.296 55.633 55.803 0.211 0.000 0.924 282 Q CB 1.391 30.216 28.738 0.146 0.000 1.209 282 Q HN 0.803 nan 8.270 nan 0.000 0.445 283 G N 2.342 111.364 108.800 0.370 0.000 2.568 283 G HA2 0.229 4.190 3.960 0.000 0.000 0.293 283 G HA3 0.229 4.190 3.960 0.000 0.000 0.293 283 G C 0.549 175.624 174.900 0.292 0.000 1.347 283 G CA -0.656 44.647 45.100 0.339 0.000 1.039 283 G HN 0.742 nan 8.290 nan 0.000 0.523 284 L N -0.110 121.247 121.223 0.224 0.000 2.141 284 L HA 0.055 4.396 4.340 0.000 0.000 0.209 284 L C 2.586 179.554 176.870 0.163 0.000 1.094 284 L CA 1.302 56.254 54.840 0.186 0.000 0.763 284 L CB -0.265 41.876 42.059 0.136 0.000 0.908 284 L HN 0.609 nan 8.230 nan 0.000 0.437 285 G N -0.922 107.998 108.800 0.200 0.000 3.189 285 G HA2 0.467 4.427 3.960 0.000 0.000 0.225 285 G HA3 0.467 4.427 3.960 0.000 0.000 0.225 285 G C 0.555 175.474 174.900 0.031 0.000 1.159 285 G CA 0.523 45.702 45.100 0.133 0.000 0.763 285 G HN 0.518 nan 8.290 nan 0.000 0.549 286 G N -1.241 107.581 108.800 0.037 0.000 2.302 286 G HA2 0.188 4.148 3.960 0.000 0.000 0.276 286 G HA3 0.188 4.148 3.960 0.000 0.000 0.276 286 G C -1.317 173.498 174.900 -0.141 0.000 1.316 286 G CA -0.331 44.714 45.100 -0.092 0.000 0.988 286 G HN 0.556 nan 8.290 nan 0.000 0.479 287 V N 0.834 120.634 119.914 -0.190 0.000 2.432 287 V HA 0.567 4.687 4.120 0.000 0.000 0.275 287 V C -0.702 175.251 176.094 -0.236 0.000 1.043 287 V CA -0.206 62.035 62.300 -0.098 0.000 0.925 287 V CB 0.656 32.456 31.823 -0.038 0.000 0.985 287 V HN 0.552 nan 8.190 nan 0.000 0.466 288 Y N 2.260 122.591 120.300 0.051 0.000 2.335 288 Y HA 0.574 5.124 4.550 -0.000 0.000 0.338 288 Y C 0.666 176.590 175.900 0.040 0.000 0.977 288 Y CA -0.331 57.802 58.100 0.055 0.000 1.114 288 Y CB 1.933 40.444 38.460 0.085 0.000 1.182 288 Y HN 0.591 nan 8.280 nan 0.000 0.463 289 S N 0.949 116.738 115.700 0.148 0.000 2.664 289 S HA 0.262 4.732 4.470 0.000 0.000 0.304 289 S C -0.470 174.183 174.600 0.088 0.000 1.099 289 S CA -0.813 57.440 58.200 0.089 0.000 1.003 289 S CB 1.098 64.328 63.200 0.050 0.000 1.092 289 S HN 0.825 nan 8.310 nan 0.000 0.525 290 D N 0.464 120.901 120.400 0.062 0.000 2.708 290 D HA -0.173 4.467 4.640 0.000 0.000 0.236 290 D C -0.802 175.552 176.300 0.089 0.000 1.146 290 D CA 0.391 54.431 54.000 0.066 0.000 0.662 290 D CB -1.409 39.427 40.800 0.061 0.000 1.059 290 D HN 0.489 nan 8.370 nan 0.000 0.428 291 I N 1.580 122.189 120.570 0.066 0.000 2.363 291 I HA 0.044 4.214 4.170 0.000 0.000 0.292 291 I C 0.432 176.575 176.117 0.044 0.000 1.075 291 I CA -0.594 60.740 61.300 0.056 0.000 1.333 291 I CB 0.347 38.317 38.000 -0.051 0.000 1.415 291 I HN 0.095 nan 8.210 nan 0.000 0.502 292 Y N 8.254 128.551 120.300 -0.005 0.000 2.365 292 Y HA 0.464 5.014 4.550 0.001 0.000 0.340 292 Y C -0.911 174.976 175.900 -0.023 0.000 1.016 292 Y CA -0.724 57.363 58.100 -0.022 0.000 1.196 292 Y CB 0.987 39.446 38.460 -0.002 0.000 1.167 292 Y HN 0.461 nan 8.280 nan 0.000 0.509 293 L N 10.472 131.259 121.223 -0.727 0.000 2.319 293 L HA 0.578 4.918 4.340 0.000 0.000 0.281 293 L C -2.410 173.945 176.870 -0.859 0.000 1.005 293 L CA -2.441 52.048 54.840 -0.585 0.000 0.828 293 L CB 1.642 43.442 42.059 -0.432 0.000 1.227 293 L HN 0.490 nan 8.230 nan 0.000 0.415 294 P HA 0.167 nan 4.420 nan 0.000 0.220 294 P C -1.053 176.057 177.300 -0.318 0.000 1.778 294 P CA 0.273 63.101 63.100 -0.453 0.000 0.912 294 P CB -0.248 31.410 31.700 -0.070 0.000 1.861 295 L N 0.597 121.600 121.223 -0.367 0.000 2.409 295 L HA 0.478 4.818 4.340 0.000 0.000 0.262 295 L C 0.416 177.099 176.870 -0.312 0.000 0.992 295 L CA -1.083 53.578 54.840 -0.298 0.000 0.817 295 L CB 2.071 44.026 42.059 -0.173 0.000 1.350 295 L HN 0.095 nan 8.230 nan 0.000 0.411 296 H N 1.002 120.080 119.070 0.014 0.000 2.481 296 H HA 0.676 5.232 4.556 -0.000 0.000 0.339 296 H C 0.220 175.507 175.328 -0.067 0.000 1.131 296 H CA -0.111 55.960 56.048 0.038 0.000 1.301 296 H CB 1.935 31.852 29.762 0.259 0.000 1.476 296 H HN 0.774 nan 8.280 nan 0.000 0.529 297 G N 1.570 110.404 108.800 0.056 0.000 3.014 297 G HA2 -0.165 3.795 3.960 0.000 0.000 0.683 297 G HA3 -0.165 3.795 3.960 0.000 0.000 0.683 297 G C 0.625 175.451 174.900 -0.123 0.000 1.271 297 G CA -0.082 45.002 45.100 -0.027 0.000 0.843 297 G HN 0.656 nan 8.290 nan 0.000 0.612 298 E N 0.726 120.971 120.200 0.075 0.000 2.118 298 E HA -0.273 4.078 4.350 0.000 0.000 0.195 298 E C 2.192 178.848 176.600 0.092 0.000 0.992 298 E CA 1.796 58.234 56.400 0.064 0.000 0.804 298 E CB -0.159 29.636 29.700 0.159 0.000 0.741 298 E HN 0.810 nan 8.360 nan 0.000 0.458 299 H N -0.043 119.098 119.070 0.118 0.000 2.422 299 H HA -0.099 4.457 4.556 0.000 0.000 0.298 299 H C 1.667 177.051 175.328 0.094 0.000 1.098 299 H CA 1.151 57.287 56.048 0.147 0.000 1.315 299 H CB -0.368 29.446 29.762 0.086 0.000 1.382 299 H HN 0.231 nan 8.280 nan 0.000 0.523 300 Q N 0.869 120.406 119.800 -0.439 0.000 2.224 300 Q HA 0.081 4.421 4.340 0.000 0.000 0.203 300 Q C 2.574 178.459 176.000 -0.193 0.000 0.970 300 Q CA 1.078 56.717 55.803 -0.274 0.000 0.865 300 Q CB -0.304 28.233 28.738 -0.336 0.000 0.922 300 Q HN 0.650 nan 8.270 nan 0.000 0.445 301 A N 0.791 123.471 122.820 -0.233 0.000 1.933 301 A HA -0.195 4.125 4.320 0.000 0.000 0.218 301 A C 1.791 179.210 177.584 -0.275 0.000 1.175 301 A CA 1.231 53.089 52.037 -0.298 0.000 0.628 301 A CB -0.561 18.227 19.000 -0.353 0.000 0.814 301 A HN 0.333 nan 8.150 nan 0.000 0.444 302 H N -0.005 119.060 119.070 -0.009 0.000 2.395 302 H HA -0.040 4.516 4.556 0.000 0.000 0.299 302 H C 1.813 177.184 175.328 0.073 0.000 1.070 302 H CA 1.458 57.537 56.048 0.051 0.000 1.356 302 H CB -0.185 29.618 29.762 0.068 0.000 1.401 302 H HN 0.437 nan 8.280 nan 0.000 0.524 303 N N 1.023 119.811 118.700 0.147 0.000 2.120 303 N HA -0.106 4.635 4.740 0.000 0.000 0.188 303 N C 2.106 177.671 175.510 0.092 0.000 1.024 303 N CA 1.207 54.327 53.050 0.116 0.000 0.852 303 N CB -0.475 38.066 38.487 0.089 0.000 1.003 303 N HN 0.301 nan 8.380 nan 0.000 0.424 304 A N 0.674 123.500 122.820 0.011 0.000 1.865 304 A HA -0.125 4.195 4.320 0.000 0.000 0.217 304 A C 2.446 180.073 177.584 0.071 0.000 1.191 304 A CA 1.777 53.805 52.037 -0.014 0.000 0.623 304 A CB -1.053 17.658 19.000 -0.481 0.000 0.826 304 A HN 0.174 nan 8.150 nan 0.000 0.444 305 V N -0.640 119.290 119.914 0.028 0.000 2.667 305 V HA -0.123 3.997 4.120 0.000 0.000 0.252 305 V C 2.288 178.406 176.094 0.040 0.000 1.065 305 V CA 1.932 64.290 62.300 0.097 0.000 1.083 305 V CB -0.277 31.674 31.823 0.214 0.000 0.692 305 V HN 0.534 nan 8.190 nan 0.000 0.468 306 L N 0.942 122.234 121.223 0.115 0.000 2.046 306 L HA 0.022 4.362 4.340 0.000 0.000 0.208 306 L C 2.513 179.325 176.870 -0.096 0.000 1.077 306 L CA 2.547 57.392 54.840 0.008 0.000 0.747 306 L CB -1.073 41.081 42.059 0.160 0.000 0.896 306 L HN 0.296 nan 8.230 nan 0.000 0.432 307 A N -0.657 122.173 122.820 0.017 0.000 1.902 307 A HA -0.206 4.114 4.320 0.000 0.000 0.217 307 A C 2.243 179.796 177.584 -0.052 0.000 1.181 307 A CA 1.923 53.962 52.037 0.003 0.000 0.623 307 A CB -1.033 18.013 19.000 0.078 0.000 0.818 307 A HN 0.502 nan 8.150 nan 0.000 0.443 308 L N -0.101 121.130 121.223 0.013 0.000 1.989 308 L HA -0.085 4.255 4.340 0.000 0.000 0.211 308 L C 2.648 179.421 176.870 -0.162 0.000 1.071 308 L CA 2.500 57.303 54.840 -0.063 0.000 0.749 308 L CB -0.893 41.187 42.059 0.034 0.000 0.890 308 L HN 0.324 nan 8.230 nan 0.000 0.431 309 A N -1.219 121.410 122.820 -0.319 0.000 1.940 309 A HA -0.213 4.107 4.320 0.000 0.000 0.219 309 A C 2.364 179.802 177.584 -0.243 0.000 1.176 309 A CA 2.140 53.914 52.037 -0.438 0.000 0.631 309 A CB -1.039 17.188 19.000 -1.287 0.000 0.814 309 A HN 0.598 nan 8.150 nan 0.000 0.446 310 S N -0.612 114.967 115.700 -0.202 0.000 2.368 310 S HA -0.110 4.360 4.470 0.000 0.000 0.225 310 S C 1.839 176.425 174.600 -0.024 0.000 1.030 310 S CA 1.402 59.550 58.200 -0.087 0.000 0.999 310 S CB -0.382 62.776 63.200 -0.071 0.000 0.844 310 S HN 0.350 nan 8.310 nan 0.000 0.459 311 V N 1.827 121.720 119.914 -0.035 0.000 2.453 311 V HA -0.117 4.003 4.120 0.000 0.000 0.247 311 V C 2.313 178.520 176.094 0.188 0.000 1.048 311 V CA 1.421 63.749 62.300 0.047 0.000 1.049 311 V CB -0.594 31.235 31.823 0.009 0.000 0.672 311 V HN 0.463 nan 8.190 nan 0.000 0.457 312 E N 0.430 120.689 120.200 0.098 0.000 2.051 312 E HA -0.223 4.127 4.350 0.000 0.000 0.192 312 E C 2.363 179.042 176.600 0.132 0.000 0.991 312 E CA 1.415 57.896 56.400 0.136 0.000 0.799 312 E CB -0.332 29.414 29.700 0.077 0.000 0.748 312 E HN 0.591 nan 8.360 nan 0.000 0.449 313 A N 1.068 123.930 122.820 0.071 0.000 1.877 313 A HA -0.212 4.108 4.320 0.000 0.000 0.216 313 A C 2.009 179.615 177.584 0.036 0.000 1.186 313 A CA 1.287 53.355 52.037 0.052 0.000 0.620 313 A CB -0.853 18.168 19.000 0.035 0.000 0.822 313 A HN 0.346 nan 8.150 nan 0.000 0.443 314 F N -0.479 119.399 119.950 -0.120 0.000 2.120 314 F HA -0.170 4.358 4.527 0.000 0.000 0.300 314 F C 1.567 177.173 175.800 -0.324 0.000 1.095 314 F CA 1.733 59.571 58.000 -0.270 0.000 1.249 314 F CB -0.271 38.461 39.000 -0.445 0.000 0.995 314 F HN 0.203 nan 8.300 nan 0.000 0.480 315 F N 0.069 120.046 119.950 0.047 0.000 2.765 315 F HA 0.279 4.806 4.527 0.000 0.000 0.302 315 F C 1.707 177.477 175.800 -0.050 0.000 1.111 315 F CA 0.437 58.415 58.000 -0.037 0.000 1.359 315 F CB -0.142 38.906 39.000 0.079 0.000 1.097 315 F HN 0.109 nan 8.300 nan 0.000 0.577 316 G N 0.990 109.839 108.800 0.081 0.000 2.176 316 G HA2 -0.208 3.752 3.960 0.000 0.000 0.252 316 G HA3 -0.208 3.752 3.960 0.000 0.000 0.252 316 G C 0.504 175.459 174.900 0.092 0.000 1.024 316 G CA -0.068 45.068 45.100 0.059 0.000 0.755 316 G HN 0.632 nan 8.290 nan 0.000 0.507 323 L N 1.916 123.295 121.223 0.259 0.000 2.467 323 L HA 0.161 4.501 4.340 0.000 0.000 0.270 323 L C 0.400 177.389 176.870 0.198 0.000 1.205 323 L CA -0.197 54.745 54.840 0.171 0.000 0.828 323 L CB 0.218 42.346 42.059 0.115 0.000 1.101 323 L HN 0.703 nan 8.230 nan 0.000 0.479 324 D N 1.880 122.332 120.400 0.087 0.000 2.502 324 D HA -0.050 4.590 4.640 0.000 0.000 0.249 324 D C 1.151 177.536 176.300 0.141 0.000 1.188 324 D CA 0.604 54.654 54.000 0.083 0.000 0.890 324 D CB 1.507 42.328 40.800 0.036 0.000 1.140 324 D HN 0.643 nan 8.370 nan 0.000 0.505 325 G N 3.850 112.758 108.800 0.180 0.000 2.432 325 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 325 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 325 G C 1.185 176.176 174.900 0.152 0.000 1.135 325 G CA 0.382 45.631 45.100 0.248 0.000 0.767 325 G HN 0.495 nan 8.290 nan 0.000 0.550 326 D N 0.961 121.418 120.400 0.095 0.000 2.144 326 D HA -0.011 4.629 4.640 0.000 0.000 0.199 326 D C 2.756 179.085 176.300 0.047 0.000 0.984 326 D CA 1.177 55.219 54.000 0.070 0.000 0.834 326 D CB -0.356 40.477 40.800 0.055 0.000 0.955 326 D HN 0.326 nan 8.370 nan 0.000 0.465 327 A N 0.412 123.247 122.820 0.026 0.000 1.929 327 A HA -0.078 4.242 4.320 0.000 0.000 0.216 327 A C 2.478 180.016 177.584 -0.077 0.000 1.176 327 A CA 0.850 52.863 52.037 -0.039 0.000 0.628 327 A CB -0.593 18.365 19.000 -0.070 0.000 0.816 327 A HN 0.128 nan 8.150 nan 0.000 0.444 328 V N 0.075 119.961 119.914 -0.045 0.000 2.295 328 V HA -0.277 3.843 4.120 0.000 0.000 0.246 328 V C 2.636 178.751 176.094 0.035 0.000 1.049 328 V CA 2.281 64.522 62.300 -0.097 0.000 1.024 328 V CB -0.815 30.951 31.823 -0.096 0.000 0.648 328 V HN 0.519 nan 8.190 nan 0.000 0.447 329 R N -0.058 120.512 120.500 0.118 0.000 2.083 329 R HA -0.162 4.178 4.340 0.000 0.000 0.237 329 R C 2.435 178.807 176.300 0.120 0.000 1.137 329 R CA 1.594 57.792 56.100 0.163 0.000 0.951 329 R CB -0.626 29.755 30.300 0.135 0.000 0.851 329 R HN 0.546 nan 8.270 nan 0.000 0.434 330 A N 0.428 123.278 122.820 0.050 0.000 1.933 330 A HA -0.084 4.236 4.320 0.000 0.000 0.218 330 A C 2.338 179.909 177.584 -0.022 0.000 1.175 330 A CA 1.776 53.826 52.037 0.022 0.000 0.628 330 A CB -1.013 17.986 19.000 -0.000 0.000 0.814 330 A HN 0.494 nan 8.150 nan 0.000 0.444 331 G N -1.296 107.437 108.800 -0.112 0.000 2.404 331 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 331 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 331 G C 1.316 176.110 174.900 -0.177 0.000 1.174 331 G CA 1.019 45.993 45.100 -0.211 0.000 0.780 331 G HN 0.381 nan 8.290 nan 0.000 0.537 332 F N 1.850 121.769 119.950 -0.051 0.000 2.171 332 F HA 0.081 4.608 4.527 0.000 0.000 0.300 332 F C 2.994 178.768 175.800 -0.043 0.000 1.090 332 F CA 0.603 58.567 58.000 -0.060 0.000 1.293 332 F CB -0.547 38.411 39.000 -0.070 0.000 1.013 332 F HN 0.239 nan 8.300 nan 0.000 0.486 333 A N -0.441 122.496 122.820 0.195 0.000 2.019 333 A HA 0.066 4.386 4.320 0.000 0.000 0.219 333 A C 2.215 179.869 177.584 0.117 0.000 1.164 333 A CA 1.451 53.598 52.037 0.182 0.000 0.644 333 A CB -1.024 18.098 19.000 0.203 0.000 0.805 333 A HN 0.253 nan 8.150 nan 0.000 0.449 334 A N -0.745 122.114 122.820 0.064 0.000 2.275 334 A HA 0.461 4.782 4.320 0.000 0.000 0.212 334 A C 0.732 178.330 177.584 0.024 0.000 1.201 334 A CA -0.064 51.994 52.037 0.035 0.000 0.843 334 A CB -0.313 18.687 19.000 0.000 0.000 0.873 334 A HN 0.197 nan 8.150 nan 0.000 0.492 335 V N 2.123 122.058 119.914 0.035 0.000 2.673 335 V HA 0.280 4.400 4.120 0.000 0.000 0.303 335 V C 0.858 176.966 176.094 0.023 0.000 1.046 335 V CA 0.873 63.191 62.300 0.030 0.000 1.126 335 V CB 0.753 32.619 31.823 0.072 0.000 0.934 335 V HN 0.624 nan 8.190 nan 0.000 0.487 336 T N 1.107 115.674 114.554 0.022 0.000 2.908 336 T HA 0.612 4.962 4.350 0.000 0.000 0.290 336 T C -0.337 174.383 174.700 0.033 0.000 1.034 336 T CA -0.730 61.385 62.100 0.026 0.000 1.010 336 T CB 1.845 70.731 68.868 0.031 0.000 1.068 336 T HN 0.537 nan 8.240 nan 0.000 0.481 337 S N 2.647 118.372 115.700 0.041 0.000 2.312 337 S HA 0.476 4.946 4.470 0.000 0.000 0.173 337 S C -2.887 171.754 174.600 0.069 0.000 1.488 337 S CA -1.143 57.091 58.200 0.056 0.000 1.239 337 S CB 0.052 63.287 63.200 0.059 0.000 1.215 337 S HN 0.597 nan 8.310 nan 0.000 0.438 338 P HA 0.235 nan 4.420 nan 0.000 0.266 338 P C 1.029 178.379 177.300 0.082 0.000 1.195 338 P CA 1.145 64.287 63.100 0.070 0.000 0.768 338 P CB 0.343 32.082 31.700 0.065 0.000 0.838 339 G N 1.735 110.586 108.800 0.086 0.000 2.175 339 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 339 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 339 G C 0.045 175.011 174.900 0.110 0.000 0.979 339 G CA -0.047 45.110 45.100 0.094 0.000 0.663 339 G HN 0.531 nan 8.290 nan 0.000 0.533 340 R N -0.407 120.165 120.500 0.121 0.000 2.272 340 R HA 0.605 4.945 4.340 0.000 0.000 0.323 340 R C 0.796 177.205 176.300 0.182 0.000 1.002 340 R CA -1.196 54.989 56.100 0.142 0.000 0.900 340 R CB 0.545 30.928 30.300 0.138 0.000 1.151 340 R HN 0.373 nan 8.270 nan 0.000 0.507 341 L N 1.324 122.663 121.223 0.193 0.000 3.854 341 L HA -0.248 4.092 4.340 0.000 0.000 0.460 341 L C -0.199 176.931 176.870 0.433 0.000 1.228 341 L CA 1.137 56.131 54.840 0.257 0.000 0.760 341 L CB -1.173 41.029 42.059 0.238 0.000 1.597 341 L HN 0.747 nan 8.230 nan 0.000 0.852 342 E N 0.730 121.128 120.200 0.331 0.000 2.175 342 E HA 0.377 4.728 4.350 0.000 0.000 0.278 342 E C 0.528 177.215 176.600 0.144 0.000 0.969 342 E CA -0.789 55.751 56.400 0.234 0.000 0.796 342 E CB 1.085 30.858 29.700 0.121 0.000 1.104 342 E HN 0.342 nan 8.360 nan 0.000 0.395 346 S N -0.121 115.544 115.700 -0.057 0.000 2.671 346 S HA 0.745 5.215 4.470 0.000 0.000 0.299 346 S C 0.063 174.668 174.600 0.008 0.000 1.116 346 S CA -0.378 57.805 58.200 -0.028 0.000 0.912 346 S CB 1.877 65.078 63.200 0.002 0.000 1.130 346 S HN 1.999 nan 8.310 nan 0.000 0.501 347 A N 0.982 123.823 122.820 0.035 0.000 2.303 347 A HA -0.010 4.310 4.320 0.000 0.000 0.286 347 A C -1.684 175.923 177.584 0.039 0.000 1.429 347 A CA 0.291 52.354 52.037 0.043 0.000 0.738 347 A CB -2.447 16.575 19.000 0.037 0.000 1.149 347 A HN 0.774 nan 8.150 nan 0.000 0.364 348 P HA 0.433 nan 4.420 nan 0.000 0.279 348 P C 0.109 177.414 177.300 0.008 0.000 1.252 348 P CA -0.144 62.985 63.100 0.048 0.000 0.811 348 P CB 0.567 32.294 31.700 0.045 0.000 1.035 349 T N 0.749 115.313 114.554 0.016 0.000 2.870 349 T HA 0.237 4.587 4.350 0.000 0.000 0.300 349 T C 0.139 174.710 174.700 -0.216 0.000 0.989 349 T CA 0.027 62.061 62.100 -0.110 0.000 1.139 349 T CB 0.071 68.940 68.868 0.003 0.000 0.920 349 T HN 0.120 nan 8.240 nan 0.000 0.537 350 V N 4.745 124.457 119.914 -0.336 0.000 2.487 350 V HA 0.508 4.629 4.120 0.000 0.000 0.298 350 V C -0.605 175.209 176.094 -0.467 0.000 1.028 350 V CA -0.865 61.245 62.300 -0.317 0.000 0.860 350 V CB 1.118 32.744 31.823 -0.328 0.000 0.991 350 V HN 0.763 nan 8.190 nan 0.000 0.427 351 F N 4.904 124.724 119.950 -0.217 0.000 2.470 351 F HA 0.720 5.247 4.527 -0.000 0.000 0.329 351 F C 0.330 176.051 175.800 -0.132 0.000 1.072 351 F CA -0.755 57.146 58.000 -0.163 0.000 0.989 351 F CB 1.807 40.716 39.000 -0.152 0.000 1.193 351 F HN 0.435 nan 8.300 nan 0.000 0.481 352 I N -0.614 120.037 120.570 0.135 0.000 2.646 352 I HA 0.775 4.946 4.170 0.000 0.000 0.299 352 I C -1.793 174.403 176.117 0.132 0.000 1.036 352 I CA -0.606 60.752 61.300 0.096 0.000 1.074 352 I CB 2.223 40.254 38.000 0.051 0.000 1.258 352 I HN 0.503 nan 8.210 nan 0.000 0.430 353 D N 3.346 123.808 120.400 0.104 0.000 2.977 353 D HA 0.559 5.199 4.640 0.000 0.000 0.220 353 D C 0.160 176.512 176.300 0.088 0.000 1.267 353 D CA -0.419 53.638 54.000 0.095 0.000 0.884 353 D CB 2.438 43.279 40.800 0.068 0.000 1.667 353 D HN 0.747 nan 8.370 nan 0.000 0.536 354 A N 2.677 125.555 122.820 0.097 0.000 2.235 354 A HA 0.467 4.787 4.320 0.000 0.000 0.208 354 A C 1.135 178.810 177.584 0.152 0.000 1.172 354 A CA 0.542 52.657 52.037 0.131 0.000 0.786 354 A CB -0.562 18.528 19.000 0.150 0.000 0.804 354 A HN 0.697 nan 8.150 nan 0.000 0.479 355 A N 1.452 124.300 122.820 0.046 0.000 2.591 355 A HA 0.256 4.576 4.320 0.000 0.000 0.244 355 A C 0.764 178.351 177.584 0.005 0.000 1.031 355 A CA 1.060 53.063 52.037 -0.058 0.000 0.767 355 A CB -0.388 18.568 19.000 -0.073 0.000 0.942 355 A HN 0.914 nan 8.150 nan 0.000 0.514 356 H N 1.336 120.396 119.070 -0.017 0.000 3.109 356 H HA 0.227 4.783 4.556 0.000 0.000 0.248 356 H C -0.517 174.798 175.328 -0.021 0.000 1.177 356 H CA -0.022 56.016 56.048 -0.016 0.000 0.977 356 H CB -0.390 29.365 29.762 -0.012 0.000 2.165 356 H HN 0.767 nan 8.280 nan 0.000 0.693 357 N N -0.110 118.486 118.700 -0.174 0.000 2.934 357 N HA 0.228 4.969 4.740 0.000 0.000 0.253 357 N C -2.803 172.642 175.510 -0.108 0.000 1.466 357 N CA -1.778 51.212 53.050 -0.101 0.000 0.858 357 N CB 1.940 40.363 38.487 -0.106 0.000 1.459 357 N HN -0.276 nan 8.380 nan 0.000 0.532 358 P HA 0.001 nan 4.420 nan 0.000 0.215 358 P C 1.265 178.502 177.300 -0.104 0.000 1.157 358 P CA 2.682 65.733 63.100 -0.082 0.000 0.863 358 P CB -0.069 31.594 31.700 -0.061 0.000 0.787 359 A N -0.077 122.682 122.820 -0.101 0.000 1.892 359 A HA -0.160 4.160 4.320 0.000 0.000 0.218 359 A C 2.495 179.983 177.584 -0.160 0.000 1.188 359 A CA 2.346 54.315 52.037 -0.113 0.000 0.631 359 A CB -1.941 17.004 19.000 -0.092 0.000 0.822 359 A HN 0.288 nan 8.150 nan 0.000 0.447 360 G N -0.944 107.743 108.800 -0.188 0.000 2.408 360 G HA2 0.062 4.022 3.960 0.000 0.000 0.217 360 G HA3 0.062 4.022 3.960 0.000 0.000 0.217 360 G C 1.715 176.488 174.900 -0.213 0.000 1.150 360 G CA 1.356 46.318 45.100 -0.230 0.000 0.776 360 G HN 0.825 nan 8.290 nan 0.000 0.542 361 A N 0.633 123.350 122.820 -0.172 0.000 1.930 361 A HA 0.025 4.345 4.320 0.000 0.000 0.217 361 A C 2.619 180.089 177.584 -0.190 0.000 1.175 361 A CA 2.191 54.131 52.037 -0.162 0.000 0.627 361 A CB -0.751 18.170 19.000 -0.131 0.000 0.815 361 A HN 0.441 nan 8.150 nan 0.000 0.443 362 S N -0.174 115.423 115.700 -0.172 0.000 2.368 362 S HA -0.062 4.408 4.470 0.000 0.000 0.225 362 S C 2.158 176.651 174.600 -0.179 0.000 1.030 362 S CA 1.645 59.746 58.200 -0.164 0.000 0.999 362 S CB -0.466 62.658 63.200 -0.126 0.000 0.844 362 S HN 0.811 nan 8.310 nan 0.000 0.459 363 A N 1.457 124.141 122.820 -0.226 0.000 1.898 363 A HA 0.038 4.358 4.320 0.000 0.000 0.216 363 A C 2.164 179.602 177.584 -0.242 0.000 1.181 363 A CA 1.613 53.469 52.037 -0.302 0.000 0.620 363 A CB -0.947 17.651 19.000 -0.670 0.000 0.819 363 A HN 0.588 nan 8.150 nan 0.000 0.442 364 L N -0.047 121.034 121.223 -0.238 0.000 2.012 364 L HA -0.111 4.230 4.340 0.000 0.000 0.210 364 L C 2.613 179.380 176.870 -0.172 0.000 1.073 364 L CA 2.434 57.176 54.840 -0.162 0.000 0.748 364 L CB -0.931 41.039 42.059 -0.148 0.000 0.891 364 L HN 0.336 nan 8.230 nan 0.000 0.431 365 A N -1.262 121.426 122.820 -0.219 0.000 1.898 365 A HA -0.230 4.090 4.320 0.000 0.000 0.216 365 A C 2.206 179.650 177.584 -0.233 0.000 1.181 365 A CA 1.683 53.572 52.037 -0.247 0.000 0.620 365 A CB -0.592 18.242 19.000 -0.277 0.000 0.819 365 A HN 0.661 nan 8.150 nan 0.000 0.442 366 Q N -0.863 118.788 119.800 -0.249 0.000 2.084 366 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 366 Q C 2.183 177.950 176.000 -0.389 0.000 0.978 366 Q CA 1.944 57.486 55.803 -0.435 0.000 0.844 366 Q CB -0.366 28.219 28.738 -0.254 0.000 0.898 366 Q HN 0.689 nan 8.270 nan 0.000 0.426 367 T N 1.403 115.903 114.554 -0.090 0.000 2.708 367 T HA -0.110 4.240 4.350 0.000 0.000 0.266 367 T C 1.870 176.670 174.700 0.166 0.000 1.037 367 T CA 0.892 63.043 62.100 0.086 0.000 1.146 367 T CB -0.214 68.763 68.868 0.182 0.000 0.865 367 T HN 0.171 nan 8.240 nan 0.000 0.435 368 L N 0.635 121.896 121.223 0.062 0.000 2.083 368 L HA -0.092 4.248 4.340 0.000 0.000 0.209 368 L C 2.935 179.961 176.870 0.259 0.000 1.083 368 L CA 1.256 56.187 54.840 0.151 0.000 0.752 368 L CB -0.540 41.500 42.059 -0.032 0.000 0.899 368 L HN 0.259 nan 8.230 nan 0.000 0.433 369 A N -1.181 121.675 122.820 0.060 0.000 1.935 369 A HA -0.127 4.193 4.320 0.000 0.000 0.214 369 A C 1.907 179.596 177.584 0.175 0.000 1.178 369 A CA 1.002 53.078 52.037 0.067 0.000 0.640 369 A CB -0.613 18.338 19.000 -0.081 0.000 0.825 369 A HN 0.503 nan 8.150 nan 0.000 0.447 370 H N -1.340 117.784 119.070 0.089 0.000 2.547 370 H HA 0.169 4.725 4.556 0.000 0.000 0.272 370 H C 1.072 176.389 175.328 -0.019 0.000 0.971 370 H CA 0.755 56.824 56.048 0.036 0.000 1.245 370 H CB 0.441 30.220 29.762 0.028 0.000 1.440 370 H HN 0.520 nan 8.280 nan 0.000 0.540 371 E N -0.095 120.147 120.200 0.070 0.000 2.562 371 E HA 0.153 4.503 4.350 0.000 0.000 0.214 371 E C -0.858 175.324 176.600 -0.696 0.000 0.979 371 E CA -0.052 56.187 56.400 -0.268 0.000 1.002 371 E CB 0.899 30.408 29.700 -0.318 0.000 1.048 371 E HN 0.166 nan 8.360 nan 0.000 0.488 372 F N -0.255 119.669 119.950 -0.042 0.000 2.692 372 F HA 0.324 4.851 4.527 0.000 0.000 0.320 372 F C -0.375 175.305 175.800 -0.200 0.000 1.123 372 F CA -1.184 56.693 58.000 -0.205 0.000 0.961 372 F CB 1.475 40.288 39.000 -0.312 0.000 1.383 372 F HN -0.315 nan 8.300 nan 0.000 0.483 373 D N 1.055 121.363 120.400 -0.153 0.000 2.513 373 D HA 0.284 4.924 4.640 0.000 0.000 0.295 373 D C -1.295 174.939 176.300 -0.110 0.000 1.202 373 D CA -0.094 53.864 54.000 -0.070 0.000 0.849 373 D CB -0.089 40.683 40.800 -0.047 0.000 1.116 373 D HN 0.195 nan 8.370 nan 0.000 0.502 374 F N 0.399 120.445 119.950 0.160 0.000 2.384 374 F HA 0.431 4.959 4.527 0.001 0.000 0.338 374 F C 2.076 177.952 175.800 0.127 0.000 1.103 374 F CA -0.401 57.681 58.000 0.137 0.000 1.157 374 F CB 1.234 40.302 39.000 0.114 0.000 1.167 374 F HN 0.241 nan 8.300 nan 0.000 0.529 375 R N 2.693 123.397 120.500 0.340 0.000 2.254 375 R HA 0.217 4.557 4.340 0.000 0.000 0.195 375 R C -0.655 175.852 176.300 0.346 0.000 0.957 375 R CA 0.642 56.903 56.100 0.268 0.000 1.024 375 R CB -0.427 29.993 30.300 0.200 0.000 0.952 375 R HN 0.600 nan 8.270 nan 0.000 0.484 376 F N -0.553 119.499 119.950 0.170 0.000 2.623 376 F HA 0.625 5.152 4.527 -0.000 0.000 0.323 376 F C -1.737 174.088 175.800 0.042 0.000 1.158 376 F CA -1.255 56.804 58.000 0.098 0.000 1.030 376 F CB 1.667 40.708 39.000 0.069 0.000 1.280 376 F HN -0.062 nan 8.300 nan 0.000 0.474 377 L N 6.795 127.721 121.223 -0.494 0.000 2.410 377 L HA 0.734 5.074 4.340 0.000 0.000 0.270 377 L C -1.234 175.261 176.870 -0.625 0.000 0.983 377 L CA -1.205 53.370 54.840 -0.443 0.000 0.822 377 L CB 2.177 44.094 42.059 -0.237 0.000 1.285 377 L HN 0.354 nan 8.230 nan 0.000 0.409 378 V N 1.742 121.335 119.914 -0.536 0.000 2.459 378 V HA 0.603 4.723 4.120 0.000 0.000 0.295 378 V C 0.551 176.185 176.094 -0.767 0.000 1.029 378 V CA -0.543 61.449 62.300 -0.514 0.000 0.874 378 V CB 1.694 33.373 31.823 -0.239 0.000 0.985 378 V HN 0.856 nan 8.190 nan 0.000 0.438 379 G N 2.862 111.045 108.800 -1.029 0.000 2.425 379 G HA2 0.576 4.536 3.960 0.000 0.000 0.302 379 G HA3 0.576 4.536 3.960 0.000 0.000 0.302 379 G C -1.042 173.560 174.900 -0.497 0.000 1.159 379 G CA -0.405 43.922 45.100 -1.289 0.000 0.865 379 G HN 0.553 nan 8.290 nan 0.000 0.515 380 V N 2.046 121.775 119.914 -0.308 0.000 2.483 380 V HA 0.509 4.629 4.120 0.000 0.000 0.297 380 V C -0.691 175.355 176.094 -0.080 0.000 1.027 380 V CA -0.618 61.592 62.300 -0.150 0.000 0.855 380 V CB 1.370 33.139 31.823 -0.092 0.000 0.995 380 V HN 0.645 nan 8.190 nan 0.000 0.424 381 L N 4.517 125.705 121.223 -0.058 0.000 2.410 381 L HA 0.875 5.215 4.340 0.000 0.000 0.270 381 L C -0.447 176.411 176.870 -0.021 0.000 0.983 381 L CA 0.312 55.142 54.840 -0.016 0.000 0.822 381 L CB 2.268 44.323 42.059 -0.006 0.000 1.285 381 L HN 0.669 nan 8.230 nan 0.000 0.409 382 S N 3.577 119.268 115.700 -0.015 0.000 2.548 382 S HA 0.898 5.368 4.470 0.000 0.000 0.276 382 S C -1.674 172.901 174.600 -0.042 0.000 1.129 382 S CA -0.451 57.724 58.200 -0.043 0.000 0.931 382 S CB 1.515 64.680 63.200 -0.058 0.000 1.068 382 S HN 0.449 nan 8.310 nan 0.000 0.480 383 V N 5.150 125.028 119.914 -0.061 0.000 2.789 383 V HA 0.525 4.645 4.120 0.000 0.000 0.311 383 V C -0.237 175.812 176.094 -0.075 0.000 1.073 383 V CA -0.905 61.370 62.300 -0.041 0.000 0.921 383 V CB 1.908 33.722 31.823 -0.015 0.000 1.009 383 V HN 0.896 nan 8.190 nan 0.000 0.426 384 L N 2.267 123.451 121.223 -0.065 0.000 2.436 384 L HA 0.368 4.708 4.340 0.000 0.000 0.265 384 L C 1.762 178.596 176.870 -0.060 0.000 1.168 384 L CA 0.279 55.073 54.840 -0.077 0.000 0.815 384 L CB 0.424 42.437 42.059 -0.076 0.000 1.109 384 L HN 0.870 nan 8.230 nan 0.000 0.462 385 G N 0.135 108.898 108.800 -0.061 0.000 2.534 385 G HA2 -0.178 3.783 3.960 0.000 0.000 0.217 385 G HA3 -0.178 3.783 3.960 0.000 0.000 0.217 385 G C 0.853 175.710 174.900 -0.072 0.000 1.128 385 G CA 0.447 45.512 45.100 -0.058 0.000 0.784 385 G HN 0.881 nan 8.290 nan 0.000 0.542 386 D N -0.222 120.133 120.400 -0.075 0.000 2.339 386 D HA 0.059 4.699 4.640 0.000 0.000 0.217 386 D C 0.441 176.634 176.300 -0.179 0.000 1.050 386 D CA 0.040 53.949 54.000 -0.152 0.000 0.856 386 D CB 0.266 41.009 40.800 -0.095 0.000 0.922 386 D HN -0.025 nan 8.370 nan 0.000 0.518 387 K N 0.876 121.225 120.400 -0.084 0.000 2.090 387 K HA 0.168 4.488 4.320 0.000 0.000 0.249 387 K C -0.051 176.518 176.600 -0.051 0.000 0.995 387 K CA -0.709 55.552 56.287 -0.044 0.000 0.914 387 K CB 0.640 33.150 32.500 0.016 0.000 1.057 387 K HN -0.128 nan 8.250 nan 0.000 0.462 388 D N 1.834 122.214 120.400 -0.033 0.000 2.551 388 D HA 0.033 4.673 4.640 0.000 0.000 0.223 388 D C 0.838 177.127 176.300 -0.019 0.000 1.144 388 D CA -0.084 53.897 54.000 -0.031 0.000 1.025 388 D CB -0.137 40.647 40.800 -0.028 0.000 1.085 388 D HN 0.159 nan 8.370 nan 0.000 0.506 389 V N 2.557 122.460 119.914 -0.018 0.000 2.282 389 V HA -0.285 3.835 4.120 0.000 0.000 0.249 389 V C 2.085 178.182 176.094 0.005 0.000 1.057 389 V CA 2.112 64.409 62.300 -0.004 0.000 1.032 389 V CB -0.601 31.217 31.823 -0.008 0.000 0.645 389 V HN 0.472 nan 8.190 nan 0.000 0.447 390 D N 0.445 120.845 120.400 -0.000 0.000 2.117 390 D HA -0.100 4.540 4.640 0.000 0.000 0.197 390 D C 2.188 178.484 176.300 -0.007 0.000 0.987 390 D CA 1.496 55.499 54.000 0.005 0.000 0.829 390 D CB -0.459 40.340 40.800 -0.002 0.000 0.961 390 D HN 0.358 nan 8.370 nan 0.000 0.460 391 G N 0.238 109.027 108.800 -0.018 0.000 2.418 391 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 391 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 391 G C 1.751 176.627 174.900 -0.040 0.000 1.158 391 G CA 0.805 45.886 45.100 -0.033 0.000 0.771 391 G HN 0.357 nan 8.290 nan 0.000 0.545 392 I N 0.322 120.876 120.570 -0.027 0.000 2.127 392 I HA -0.171 3.999 4.170 0.000 0.000 0.241 392 I C 2.723 178.832 176.117 -0.013 0.000 1.075 392 I CA 0.862 62.146 61.300 -0.028 0.000 1.334 392 I CB -0.219 37.779 38.000 -0.005 0.000 1.040 392 I HN 0.119 nan 8.210 nan 0.000 0.405 393 L N 0.279 121.525 121.223 0.039 0.000 2.083 393 L HA -0.183 4.157 4.340 0.000 0.000 0.209 393 L C 2.762 179.641 176.870 0.014 0.000 1.083 393 L CA 1.288 56.207 54.840 0.131 0.000 0.752 393 L CB -0.707 41.473 42.059 0.202 0.000 0.899 393 L HN 0.243 nan 8.230 nan 0.000 0.433 394 A N -0.138 122.656 122.820 -0.044 0.000 1.969 394 A HA -0.100 4.220 4.320 0.000 0.000 0.218 394 A C 2.469 179.964 177.584 -0.149 0.000 1.169 394 A CA 1.570 53.541 52.037 -0.109 0.000 0.635 394 A CB -0.558 18.395 19.000 -0.078 0.000 0.810 394 A HN 0.394 nan 8.150 nan 0.000 0.445 395 A N -0.729 122.009 122.820 -0.137 0.000 2.016 395 A HA 0.200 4.520 4.320 0.000 0.000 0.217 395 A C 1.966 179.401 177.584 -0.248 0.000 1.162 395 A CA 1.130 53.066 52.037 -0.169 0.000 0.662 395 A CB -0.316 18.593 19.000 -0.151 0.000 0.812 395 A HN 0.450 nan 8.150 nan 0.000 0.450 396 L N -1.109 119.949 121.223 -0.275 0.000 2.513 396 L HA 0.043 4.383 4.340 0.000 0.000 0.222 396 L C 2.377 178.984 176.870 -0.437 0.000 1.096 396 L CA 0.479 55.025 54.840 -0.490 0.000 0.857 396 L CB -0.207 41.501 42.059 -0.585 0.000 1.026 396 L HN 0.393 nan 8.230 nan 0.000 0.469 397 E N 1.724 121.666 120.200 -0.430 0.000 2.118 397 E HA -0.203 4.147 4.350 0.000 0.000 0.195 397 E C -0.644 175.692 176.600 -0.440 0.000 0.992 397 E CA 1.411 57.336 56.400 -0.792 0.000 0.804 397 E CB -0.791 28.331 29.700 -0.964 0.000 0.741 397 E HN 0.322 nan 8.360 nan 0.000 0.458 398 P HA -0.081 nan 4.420 nan 0.000 0.230 398 P C 1.199 178.415 177.300 -0.140 0.000 1.158 398 P CA 1.158 64.142 63.100 -0.193 0.000 0.769 398 P CB 0.071 31.674 31.700 -0.161 0.000 0.807 399 V N -7.707 112.102 119.914 -0.174 0.000 3.539 399 V HA 0.291 4.411 4.120 0.000 0.000 0.262 399 V C 0.352 176.507 176.094 0.102 0.000 1.381 399 V CA 0.042 62.295 62.300 -0.077 0.000 1.060 399 V CB -0.553 31.186 31.823 -0.141 0.000 0.842 399 V HN -0.249 nan 8.190 nan 0.000 0.445 400 F N 2.949 122.882 119.950 -0.029 0.000 2.404 400 F HA 0.506 5.033 4.527 -0.000 0.000 0.358 400 F C 1.386 177.190 175.800 0.008 0.000 1.120 400 F CA -1.622 56.370 58.000 -0.012 0.000 1.144 400 F CB 0.428 39.513 39.000 0.140 0.000 1.133 400 F HN 0.086 nan 8.300 nan 0.000 0.495 401 D N 1.130 121.512 120.400 -0.029 0.000 2.144 401 D HA -0.106 4.534 4.640 0.000 0.000 0.199 401 D C 0.823 177.147 176.300 0.040 0.000 0.984 401 D CA 1.455 55.399 54.000 -0.093 0.000 0.834 401 D CB 0.447 40.958 40.800 -0.482 0.000 0.955 401 D HN 0.495 nan 8.370 nan 0.000 0.465 402 S N -1.175 114.497 115.700 -0.047 0.000 2.671 402 S HA 0.537 5.007 4.470 0.000 0.000 0.277 402 S C -1.033 173.482 174.600 -0.141 0.000 1.165 402 S CA -0.917 57.288 58.200 0.009 0.000 0.822 402 S CB 2.862 66.073 63.200 0.019 0.000 1.150 402 S HN -0.074 nan 8.310 nan 0.000 0.479 403 V N 0.823 120.570 119.914 -0.278 0.000 2.789 403 V HA 0.744 4.864 4.120 0.000 0.000 0.311 403 V C -1.499 174.446 176.094 -0.248 0.000 1.073 403 V CA -0.622 61.467 62.300 -0.353 0.000 0.921 403 V CB 1.974 33.432 31.823 -0.609 0.000 1.009 403 V HN 0.968 nan 8.190 nan 0.000 0.426 404 V N 6.900 126.695 119.914 -0.197 0.000 2.347 404 V HA 0.482 4.602 4.120 0.000 0.000 0.280 404 V C 0.001 176.026 176.094 -0.115 0.000 1.021 404 V CA -0.497 61.726 62.300 -0.129 0.000 0.847 404 V CB 1.489 33.255 31.823 -0.095 0.000 0.990 404 V HN 0.836 nan 8.190 nan 0.000 0.444 405 V N 2.306 122.163 119.914 -0.096 0.000 2.539 405 V HA 0.939 5.059 4.120 0.000 0.000 0.292 405 V C -0.104 175.970 176.094 -0.033 0.000 1.045 405 V CA 0.145 62.403 62.300 -0.069 0.000 0.945 405 V CB 1.415 33.196 31.823 -0.071 0.000 0.993 405 V HN 0.880 nan 8.190 nan 0.000 0.464 406 T N 1.181 115.727 114.554 -0.014 0.000 2.612 406 T HA 0.405 4.755 4.350 0.000 0.000 0.296 406 T C -1.727 173.007 174.700 0.057 0.000 1.148 406 T CA -0.409 61.705 62.100 0.024 0.000 1.077 406 T CB 1.510 70.388 68.868 0.018 0.000 1.591 406 T HN 1.121 nan 8.240 nan 0.000 0.479 407 H N 1.884 120.944 119.070 -0.017 0.000 2.689 407 H HA 0.409 4.965 4.556 0.000 0.000 0.346 407 H C -0.007 175.315 175.328 -0.009 0.000 1.037 407 H CA -0.427 55.613 56.048 -0.013 0.000 1.234 407 H CB 1.545 31.300 29.762 -0.013 0.000 1.572 407 H HN 0.685 nan 8.280 nan 0.000 0.524 408 N N 2.799 121.500 118.700 0.002 0.000 2.383 408 N HA 0.086 4.827 4.740 0.000 0.000 0.192 408 N C 1.284 176.874 175.510 0.134 0.000 1.141 408 N CA 0.581 53.664 53.050 0.056 0.000 0.851 408 N CB 0.417 38.895 38.487 -0.016 0.000 0.976 408 N HN 0.857 nan 8.380 nan 0.000 0.465 409 G N -1.025 108.002 108.800 0.378 0.000 2.195 409 G HA2 -0.294 3.666 3.960 0.000 0.000 0.246 409 G HA3 -0.294 3.666 3.960 0.000 0.000 0.246 409 G C 0.036 175.067 174.900 0.218 0.000 0.984 409 G CA 0.312 45.579 45.100 0.279 0.000 0.633 409 G HN 0.730 nan 8.290 nan 0.000 0.525 410 S N 1.405 117.174 115.700 0.115 0.000 2.565 410 S HA 0.566 5.036 4.470 0.000 0.000 0.276 410 S C -0.029 174.633 174.600 0.104 0.000 1.326 410 S CA -0.455 57.779 58.200 0.057 0.000 1.045 410 S CB 1.521 64.703 63.200 -0.031 0.000 0.918 410 S HN 0.111 nan 8.310 nan 0.000 0.505 411 P HA -0.044 nan 4.420 nan 0.000 0.225 411 P C 1.031 178.354 177.300 0.039 0.000 1.148 411 P CA 1.056 64.204 63.100 0.080 0.000 0.779 411 P CB -0.080 31.649 31.700 0.049 0.000 0.780 412 R N -0.256 120.241 120.500 -0.005 0.000 2.334 412 R HA 0.536 4.876 4.340 0.000 0.000 0.216 412 R C 1.367 177.621 176.300 -0.076 0.000 0.905 412 R CA 0.578 56.659 56.100 -0.032 0.000 1.064 412 R CB -1.054 29.226 30.300 -0.033 0.000 1.046 412 R HN 0.358 nan 8.270 nan 0.000 0.508 413 A N 0.542 123.273 122.820 -0.147 0.000 2.407 413 A HA 0.570 4.890 4.320 0.000 0.000 0.248 413 A C 0.155 177.617 177.584 -0.205 0.000 1.082 413 A CA -0.441 51.431 52.037 -0.275 0.000 0.785 413 A CB 0.175 18.788 19.000 -0.644 0.000 1.020 413 A HN 0.444 nan 8.150 nan 0.000 0.489 414 L N 2.655 123.786 121.223 -0.153 0.000 2.453 414 L HA 0.126 4.466 4.340 0.000 0.000 0.272 414 L C 0.681 177.522 176.870 -0.049 0.000 1.182 414 L CA 0.185 54.978 54.840 -0.078 0.000 0.858 414 L CB 0.242 42.265 42.059 -0.060 0.000 1.120 414 L HN 0.828 nan 8.230 nan 0.000 0.474 415 D N 3.230 123.645 120.400 0.026 0.000 2.357 415 D HA -0.012 4.628 4.640 0.000 0.000 0.242 415 D C 1.106 177.442 176.300 0.060 0.000 1.153 415 D CA -0.442 53.618 54.000 0.102 0.000 0.918 415 D CB 1.071 41.920 40.800 0.082 0.000 1.181 415 D HN 0.342 nan 8.370 nan 0.000 0.435 416 V N 1.943 121.907 119.914 0.083 0.000 2.324 416 V HA -0.306 3.814 4.120 0.000 0.000 0.250 416 V C 2.328 178.431 176.094 0.016 0.000 1.060 416 V CA 2.238 64.563 62.300 0.043 0.000 1.042 416 V CB -0.870 30.979 31.823 0.044 0.000 0.650 416 V HN 0.573 nan 8.190 nan 0.000 0.450 417 E N 0.635 120.845 120.200 0.016 0.000 2.072 417 E HA -0.100 4.250 4.350 0.000 0.000 0.191 417 E C 2.272 178.874 176.600 0.004 0.000 0.985 417 E CA 1.379 57.783 56.400 0.007 0.000 0.801 417 E CB -0.581 29.123 29.700 0.007 0.000 0.750 417 E HN 0.583 nan 8.360 nan 0.000 0.452 418 A N 0.743 123.567 122.820 0.006 0.000 1.898 418 A HA -0.129 4.191 4.320 0.000 0.000 0.216 418 A C 2.137 179.719 177.584 -0.003 0.000 1.181 418 A CA 1.124 53.161 52.037 0.000 0.000 0.620 418 A CB -0.523 18.476 19.000 -0.002 0.000 0.819 418 A HN 0.251 nan 8.150 nan 0.000 0.442 419 L N -0.359 120.860 121.223 -0.006 0.000 2.072 419 L HA 0.056 4.396 4.340 0.000 0.000 0.205 419 L C 2.652 179.511 176.870 -0.018 0.000 1.079 419 L CA 1.946 56.778 54.840 -0.014 0.000 0.752 419 L CB -0.889 41.157 42.059 -0.022 0.000 0.906 419 L HN 0.334 nan 8.230 nan 0.000 0.436 420 A N -0.428 122.381 122.820 -0.018 0.000 1.883 420 A HA -0.243 4.077 4.320 0.000 0.000 0.217 420 A C 2.260 179.839 177.584 -0.008 0.000 1.186 420 A CA 2.138 54.161 52.037 -0.024 0.000 0.624 420 A CB -1.103 17.886 19.000 -0.017 0.000 0.822 420 A HN 0.481 nan 8.150 nan 0.000 0.444 421 L N -0.269 120.954 121.223 0.001 0.000 2.017 421 L HA -0.069 4.271 4.340 0.000 0.000 0.208 421 L C 2.722 179.605 176.870 0.021 0.000 1.073 421 L CA 2.312 57.158 54.840 0.011 0.000 0.745 421 L CB -0.979 41.085 42.059 0.008 0.000 0.894 421 L HN 0.372 nan 8.230 nan 0.000 0.432 422 A N -0.230 122.601 122.820 0.018 0.000 1.873 422 A HA -0.249 4.071 4.320 0.000 0.000 0.218 422 A C 2.489 180.111 177.584 0.063 0.000 1.193 422 A CA 2.597 54.652 52.037 0.030 0.000 0.629 422 A CB -1.469 17.542 19.000 0.019 0.000 0.826 422 A HN 0.636 nan 8.150 nan 0.000 0.447 423 A N -0.704 122.145 122.820 0.049 0.000 1.892 423 A HA 0.033 4.353 4.320 0.000 0.000 0.218 423 A C 2.507 180.184 177.584 0.155 0.000 1.188 423 A CA 2.261 54.343 52.037 0.076 0.000 0.631 423 A CB -1.596 17.337 19.000 -0.112 0.000 0.822 423 A HN 0.943 nan 8.150 nan 0.000 0.447 424 G N -0.624 108.223 108.800 0.078 0.000 2.442 424 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 424 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 424 G C 1.366 176.327 174.900 0.101 0.000 1.141 424 G CA 1.018 46.171 45.100 0.087 0.000 0.763 424 G HN 0.553 nan 8.290 nan 0.000 0.554 425 E N 0.175 120.426 120.200 0.084 0.000 2.204 425 E HA -0.041 4.309 4.350 0.000 0.000 0.194 425 E C 2.671 179.309 176.600 0.065 0.000 0.989 425 E CA 0.526 56.962 56.400 0.061 0.000 0.824 425 E CB -0.028 29.696 29.700 0.041 0.000 0.756 425 E HN 0.338 nan 8.360 nan 0.000 0.477 426 R N -0.795 119.774 120.500 0.116 0.000 2.146 426 R HA 0.107 4.447 4.340 0.000 0.000 0.206 426 R C 2.020 178.325 176.300 0.007 0.000 1.049 426 R CA 0.373 56.505 56.100 0.054 0.000 1.029 426 R CB -0.239 30.094 30.300 0.055 0.000 0.949 426 R HN 0.160 nan 8.270 nan 0.000 0.471 427 F N 0.468 120.418 119.950 -0.000 0.000 2.619 427 F HA 0.285 4.812 4.527 -0.000 0.000 0.293 427 F C 1.086 176.891 175.800 0.009 0.000 1.119 427 F CA 0.702 58.706 58.000 0.006 0.000 1.445 427 F CB 0.082 39.092 39.000 0.017 0.000 1.119 427 F HN 0.158 nan 8.300 nan 0.000 0.573 428 G N 1.102 110.010 108.800 0.180 0.000 2.862 428 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 428 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 428 G C -1.797 173.173 174.900 0.116 0.000 1.134 428 G CA -0.531 44.636 45.100 0.112 0.000 0.791 428 G HN 0.038 nan 8.290 nan 0.000 0.592 429 P HA -0.101 nan 4.420 nan 0.000 0.218 429 P C 0.982 178.311 177.300 0.049 0.000 1.146 429 P CA 1.817 64.948 63.100 0.051 0.000 0.813 429 P CB 0.051 31.773 31.700 0.035 0.000 0.778 430 D N -0.294 120.142 120.400 0.059 0.000 2.263 430 D HA -0.101 4.540 4.640 0.000 0.000 0.208 430 D C 1.601 177.945 176.300 0.072 0.000 0.971 430 D CA 0.865 54.901 54.000 0.059 0.000 0.867 430 D CB -0.324 40.512 40.800 0.059 0.000 0.929 430 D HN 0.251 nan 8.370 nan 0.000 0.492 431 R N -0.086 120.473 120.500 0.098 0.000 2.466 431 R HA 0.239 4.579 4.340 0.000 0.000 0.279 431 R C -0.746 175.557 176.300 0.006 0.000 0.976 431 R CA -0.086 56.082 56.100 0.113 0.000 1.081 431 R CB 1.053 31.505 30.300 0.252 0.000 1.215 431 R HN -0.004 nan 8.270 nan 0.000 0.546 432 V N 0.917 120.820 119.914 -0.019 0.000 2.540 432 V HA 0.462 4.582 4.120 0.000 0.000 0.302 432 V C -0.010 176.050 176.094 -0.057 0.000 1.035 432 V CA -0.875 61.369 62.300 -0.092 0.000 0.873 432 V CB 2.185 33.958 31.823 -0.082 0.000 0.992 432 V HN 0.173 nan 8.190 nan 0.000 0.428 433 R N 1.454 121.909 120.500 -0.076 0.000 2.867 433 R HA 0.835 5.175 4.340 0.000 0.000 0.268 433 R C -0.659 175.609 176.300 -0.053 0.000 1.014 433 R CA -0.691 55.381 56.100 -0.047 0.000 0.946 433 R CB 2.543 32.822 30.300 -0.034 0.000 1.208 433 R HN 0.864 nan 8.270 nan 0.000 0.477 434 T N -1.807 112.727 114.554 -0.034 0.000 2.916 434 T HA 0.871 5.221 4.350 0.000 0.000 0.292 434 T C -0.873 173.815 174.700 -0.021 0.000 1.055 434 T CA -0.866 61.217 62.100 -0.028 0.000 1.009 434 T CB 2.132 70.989 68.868 -0.018 0.000 1.118 434 T HN 0.667 nan 8.240 nan 0.000 0.497 435 A N 0.868 123.679 122.820 -0.015 0.000 2.574 435 A HA 0.625 4.946 4.320 0.000 0.000 0.297 435 A C 0.517 178.100 177.584 -0.001 0.000 1.062 435 A CA -0.796 51.234 52.037 -0.011 0.000 0.686 435 A CB 1.188 20.179 19.000 -0.015 0.000 1.285 435 A HN 0.891 nan 8.150 nan 0.000 0.403 436 E N 0.336 120.532 120.200 -0.006 0.000 2.204 436 E HA -0.128 4.222 4.350 0.000 0.000 0.194 436 E C 0.233 176.833 176.600 -0.000 0.000 0.989 436 E CA 1.577 57.972 56.400 -0.008 0.000 0.824 436 E CB -0.051 29.635 29.700 -0.023 0.000 0.756 436 E HN 0.753 nan 8.360 nan 0.000 0.477 437 N N -1.627 117.075 118.700 0.003 0.000 2.825 437 N HA 0.053 4.793 4.740 0.000 0.000 0.253 437 N C 0.010 175.527 175.510 0.012 0.000 1.426 437 N CA -0.628 52.430 53.050 0.014 0.000 0.851 437 N CB 0.619 39.104 38.487 -0.003 0.000 1.470 437 N HN -0.157 nan 8.380 nan 0.000 0.517 438 L N 0.302 121.537 121.223 0.020 0.000 2.046 438 L HA 0.106 4.446 4.340 0.000 0.000 0.208 438 L C 2.393 179.261 176.870 -0.004 0.000 1.077 438 L CA 1.797 56.646 54.840 0.014 0.000 0.747 438 L CB -0.593 41.482 42.059 0.026 0.000 0.896 438 L HN 0.812 nan 8.230 nan 0.000 0.432 439 R N -0.730 119.759 120.500 -0.018 0.000 2.073 439 R HA -0.177 4.163 4.340 0.000 0.000 0.234 439 R C 1.925 178.205 176.300 -0.033 0.000 1.134 439 R CA 1.837 57.913 56.100 -0.040 0.000 0.952 439 R CB -0.298 29.972 30.300 -0.050 0.000 0.850 439 R HN 0.377 nan 8.270 nan 0.000 0.433 440 D N 0.272 120.657 120.400 -0.024 0.000 2.104 440 D HA -0.163 4.477 4.640 0.000 0.000 0.194 440 D C 1.720 178.009 176.300 -0.020 0.000 0.994 440 D CA 1.694 55.681 54.000 -0.022 0.000 0.830 440 D CB -0.312 40.477 40.800 -0.018 0.000 0.959 440 D HN 0.409 nan 8.370 nan 0.000 0.452 441 A N 0.397 123.207 122.820 -0.016 0.000 1.902 441 A HA -0.141 4.179 4.320 0.000 0.000 0.217 441 A C 2.358 179.930 177.584 -0.021 0.000 1.181 441 A CA 0.986 53.011 52.037 -0.021 0.000 0.623 441 A CB -0.738 18.250 19.000 -0.020 0.000 0.818 441 A HN 0.228 nan 8.150 nan 0.000 0.443 442 I N -0.122 120.441 120.570 -0.012 0.000 2.361 442 I HA -0.228 3.942 4.170 0.000 0.000 0.251 442 I C 1.727 177.840 176.117 -0.006 0.000 1.133 442 I CA 1.344 62.644 61.300 0.000 0.000 1.413 442 I CB -0.351 37.660 38.000 0.018 0.000 1.073 442 I HN 0.223 nan 8.210 nan 0.000 0.424 443 D N 0.315 120.705 120.400 -0.017 0.000 2.117 443 D HA -0.111 4.529 4.640 0.000 0.000 0.198 443 D C 2.407 178.702 176.300 -0.010 0.000 0.982 443 D CA 1.039 55.030 54.000 -0.016 0.000 0.828 443 D CB -0.262 40.524 40.800 -0.023 0.000 0.967 443 D HN 0.101 nan 8.370 nan 0.000 0.464 444 V N 1.501 121.408 119.914 -0.013 0.000 2.287 444 V HA -0.265 3.855 4.120 0.000 0.000 0.248 444 V C 2.541 178.634 176.094 -0.003 0.000 1.053 444 V CA 1.936 64.231 62.300 -0.010 0.000 1.027 444 V CB -0.890 30.923 31.823 -0.017 0.000 0.646 444 V HN 0.193 nan 8.190 nan 0.000 0.447 445 A N -0.433 122.381 122.820 -0.011 0.000 1.940 445 A HA -0.242 4.078 4.320 0.000 0.000 0.219 445 A C 2.380 179.978 177.584 0.024 0.000 1.176 445 A CA 2.555 54.587 52.037 -0.007 0.000 0.631 445 A CB -0.945 18.028 19.000 -0.045 0.000 0.814 445 A HN 0.526 nan 8.150 nan 0.000 0.446 446 T N 0.344 114.908 114.554 0.017 0.000 2.777 446 T HA -0.130 4.220 4.350 0.000 0.000 0.266 446 T C 2.347 177.058 174.700 0.020 0.000 1.040 446 T CA 1.890 64.004 62.100 0.024 0.000 1.141 446 T CB -0.385 68.493 68.868 0.018 0.000 0.868 446 T HN 0.810 nan 8.240 nan 0.000 0.444 447 S N 1.675 117.382 115.700 0.011 0.000 2.402 447 S HA 0.050 4.520 4.470 0.000 0.000 0.229 447 S C 2.088 176.691 174.600 0.003 0.000 1.021 447 S CA 0.584 58.785 58.200 0.002 0.000 0.974 447 S CB -0.754 62.445 63.200 -0.003 0.000 0.800 447 S HN 0.424 nan 8.310 nan 0.000 0.484 448 L N 0.799 122.043 121.223 0.035 0.000 2.056 448 L HA -0.002 4.338 4.340 0.000 0.000 0.207 448 L C 2.714 179.598 176.870 0.023 0.000 1.078 448 L CA 0.882 55.762 54.840 0.067 0.000 0.749 448 L CB -0.603 41.559 42.059 0.172 0.000 0.901 448 L HN 0.253 nan 8.230 nan 0.000 0.433 449 V N -0.227 119.743 119.914 0.093 0.000 2.453 449 V HA -0.238 3.883 4.120 0.000 0.000 0.247 449 V C 2.033 178.098 176.094 -0.048 0.000 1.048 449 V CA 1.643 63.988 62.300 0.076 0.000 1.049 449 V CB -0.377 31.526 31.823 0.134 0.000 0.672 449 V HN 0.412 nan 8.190 nan 0.000 0.457 450 D N 0.103 120.484 120.400 -0.032 0.000 2.117 450 D HA -0.154 4.486 4.640 0.000 0.000 0.197 450 D C 1.894 178.144 176.300 -0.082 0.000 0.987 450 D CA 1.390 55.365 54.000 -0.042 0.000 0.829 450 D CB -0.329 40.457 40.800 -0.023 0.000 0.961 450 D HN 0.409 nan 8.370 nan 0.000 0.460 451 D N 0.559 120.897 120.400 -0.104 0.000 2.117 451 D HA -0.105 4.535 4.640 0.000 0.000 0.197 451 D C 2.032 178.201 176.300 -0.218 0.000 0.987 451 D CA 1.337 55.259 54.000 -0.130 0.000 0.829 451 D CB -0.406 40.328 40.800 -0.110 0.000 0.961 451 D HN 0.148 nan 8.370 nan 0.000 0.460 452 A N 1.162 123.741 122.820 -0.402 0.000 1.908 452 A HA -0.095 4.225 4.320 0.000 0.000 0.218 452 A C 2.324 179.749 177.584 -0.264 0.000 1.181 452 A CA 2.332 54.030 52.037 -0.564 0.000 0.627 452 A CB -0.771 17.473 19.000 -1.260 0.000 0.818 452 A HN 0.244 nan 8.150 nan 0.000 0.445 453 A N -0.567 122.152 122.820 -0.168 0.000 2.019 453 A HA 0.229 4.549 4.320 0.000 0.000 0.219 453 A C 2.104 179.653 177.584 -0.059 0.000 1.164 453 A CA 1.734 53.728 52.037 -0.072 0.000 0.644 453 A CB -0.624 18.356 19.000 -0.034 0.000 0.805 453 A HN 1.142 nan 8.150 nan 0.000 0.449 454 A N -1.055 121.720 122.820 -0.075 0.000 2.337 454 A HA 0.290 4.610 4.320 0.000 0.000 0.227 454 A C 0.285 177.836 177.584 -0.054 0.000 1.259 454 A CA 0.320 52.325 52.037 -0.053 0.000 0.870 454 A CB -0.109 18.861 19.000 -0.049 0.000 0.927 454 A HN 0.282 nan 8.150 nan 0.000 0.497 455 D N -0.413 119.945 120.400 -0.070 0.000 2.461 455 D HA 0.367 5.007 4.640 0.000 0.000 0.240 455 D C -2.127 174.151 176.300 -0.036 0.000 1.094 455 D CA -2.065 51.898 54.000 -0.060 0.000 0.868 455 D CB 1.711 42.454 40.800 -0.095 0.000 1.062 455 D HN -0.085 nan 8.370 nan 0.000 0.530 456 P HA -0.112 nan 4.420 nan 0.000 0.216 456 P C 0.522 177.823 177.300 0.002 0.000 1.150 456 P CA 1.052 64.148 63.100 -0.007 0.000 0.843 456 P CB 0.224 31.922 31.700 -0.003 0.000 0.787 457 D N -2.045 118.357 120.400 0.003 0.000 2.325 457 D HA 0.015 4.655 4.640 0.000 0.000 0.225 457 D C 1.130 177.446 176.300 0.026 0.000 1.096 457 D CA 0.062 54.071 54.000 0.016 0.000 0.844 457 D CB -0.479 40.332 40.800 0.018 0.000 0.925 457 D HN 0.055 nan 8.370 nan 0.000 0.513 458 V N -0.005 119.916 119.914 0.013 0.000 3.050 458 V HA 0.486 4.606 4.120 0.000 0.000 0.223 458 V C 1.476 177.594 176.094 0.040 0.000 1.162 458 V CA 0.761 63.077 62.300 0.028 0.000 1.247 458 V CB 0.051 31.849 31.823 -0.042 0.000 1.125 458 V HN 0.296 nan 8.190 nan 0.000 0.508 459 A N -0.023 122.794 122.820 -0.004 0.000 2.592 459 A HA 0.631 4.951 4.320 0.000 0.000 0.290 459 A C 0.972 178.560 177.584 0.007 0.000 0.998 459 A CA 0.417 52.469 52.037 0.026 0.000 0.983 459 A CB -0.465 18.563 19.000 0.047 0.000 1.240 459 A HN 0.556 nan 8.150 nan 0.000 0.535 466 T N -2.249 112.519 114.554 0.357 0.000 2.932 466 T HA 0.902 5.252 4.350 0.000 0.000 0.289 466 T C 0.296 175.125 174.700 0.215 0.000 1.039 466 T CA -0.680 61.616 62.100 0.327 0.000 1.024 466 T CB 2.713 71.726 68.868 0.241 0.000 1.090 466 T HN 0.162 nan 8.240 nan 0.000 0.496 467 G N 0.235 109.018 108.800 -0.029 0.000 2.677 467 G HA2 0.632 4.593 3.960 0.000 0.000 0.291 467 G HA3 0.632 4.593 3.960 0.000 0.000 0.291 467 G C -1.787 172.969 174.900 -0.240 0.000 1.435 467 G CA -0.987 43.965 45.100 -0.247 0.000 0.826 467 G HN 0.899 nan 8.290 nan 0.000 0.491 468 I N 0.410 120.858 120.570 -0.204 0.000 2.465 468 I HA 0.481 4.651 4.170 0.000 0.000 0.291 468 I C -0.655 175.350 176.117 -0.187 0.000 1.014 468 I CA -1.113 60.065 61.300 -0.202 0.000 1.093 468 I CB 2.428 40.367 38.000 -0.101 0.000 1.267 468 I HN 0.144 nan 8.210 nan 0.000 0.431 469 V N 7.247 126.985 119.914 -0.295 0.000 2.376 469 V HA 0.439 4.559 4.120 0.000 0.000 0.287 469 V C -0.107 175.896 176.094 -0.151 0.000 1.015 469 V CA -0.417 61.785 62.300 -0.163 0.000 0.834 469 V CB 1.679 33.417 31.823 -0.143 0.000 1.001 469 V HN 0.471 nan 8.190 nan 0.000 0.428 470 I N 4.628 125.182 120.570 -0.027 0.000 2.312 470 I HA 0.631 4.801 4.170 0.000 0.000 0.290 470 I C 0.325 176.470 176.117 0.047 0.000 1.008 470 I CA 0.385 61.684 61.300 -0.002 0.000 1.226 470 I CB 1.610 39.632 38.000 0.036 0.000 1.371 470 I HN 0.698 nan 8.210 nan 0.000 0.468 471 T N 2.868 117.456 114.554 0.057 0.000 2.665 471 T HA 0.665 5.015 4.350 0.000 0.000 0.303 471 T C 0.313 175.058 174.700 0.074 0.000 1.334 471 T CA 0.297 62.447 62.100 0.084 0.000 1.011 471 T CB 1.572 70.516 68.868 0.127 0.000 1.573 471 T HN 0.831 nan 8.240 nan 0.000 0.492 472 G N 0.589 109.436 108.800 0.079 0.000 2.316 472 G HA2 0.094 4.054 3.960 0.000 0.000 0.203 472 G HA3 0.094 4.054 3.960 0.000 0.000 0.203 472 G C 0.169 175.118 174.900 0.082 0.000 0.999 472 G CA 0.755 45.896 45.100 0.068 0.000 0.649 472 G HN 1.534 nan 8.290 nan 0.000 0.489 473 S N -1.736 114.012 115.700 0.079 0.000 2.552 473 S HA 0.508 4.978 4.470 0.000 0.000 0.272 473 S C 1.179 175.808 174.600 0.049 0.000 1.150 473 S CA 0.470 58.699 58.200 0.049 0.000 0.849 473 S CB 1.326 64.513 63.200 -0.021 0.000 1.113 473 S HN 0.909 nan 8.310 nan 0.000 0.458 474 V N 3.153 123.066 119.914 -0.001 0.000 2.332 474 V HA -0.132 3.988 4.120 0.000 0.000 0.248 474 V C 2.288 178.373 176.094 -0.014 0.000 1.055 474 V CA 2.393 64.692 62.300 -0.002 0.000 1.038 474 V CB -0.669 31.111 31.823 -0.071 0.000 0.651 474 V HN 0.734 nan 8.190 nan 0.000 0.450 475 V N -0.216 119.671 119.914 -0.044 0.000 2.515 475 V HA -0.225 3.895 4.120 0.000 0.000 0.250 475 V C 2.494 178.590 176.094 0.003 0.000 1.058 475 V CA 2.405 64.685 62.300 -0.033 0.000 1.064 475 V CB -0.924 30.868 31.823 -0.051 0.000 0.675 475 V HN 0.627 nan 8.190 nan 0.000 0.461 476 T N 0.592 115.150 114.554 0.007 0.000 2.701 476 T HA -0.119 4.231 4.350 0.000 0.000 0.263 476 T C 2.141 176.870 174.700 0.048 0.000 1.040 476 T CA 1.603 63.718 62.100 0.025 0.000 1.147 476 T CB -0.462 68.419 68.868 0.022 0.000 0.865 476 T HN 0.549 nan 8.240 nan 0.000 0.426 477 A N 1.537 124.390 122.820 0.055 0.000 1.883 477 A HA 0.054 4.374 4.320 0.000 0.000 0.217 477 A C 2.632 180.260 177.584 0.074 0.000 1.186 477 A CA 2.017 54.096 52.037 0.070 0.000 0.624 477 A CB -1.454 17.592 19.000 0.076 0.000 0.822 477 A HN 0.518 nan 8.150 nan 0.000 0.444 478 G N -0.752 108.085 108.800 0.060 0.000 2.418 478 G HA2 0.030 3.990 3.960 0.000 0.000 0.217 478 G HA3 0.030 3.990 3.960 0.000 0.000 0.217 478 G C 1.751 176.695 174.900 0.074 0.000 1.158 478 G CA 1.446 46.587 45.100 0.067 0.000 0.771 478 G HN 0.822 nan 8.290 nan 0.000 0.545 479 A N 1.174 124.032 122.820 0.063 0.000 1.902 479 A HA 0.275 4.595 4.320 0.000 0.000 0.217 479 A C 2.805 180.438 177.584 0.081 0.000 1.181 479 A CA 2.222 54.296 52.037 0.062 0.000 0.623 479 A CB -0.758 18.271 19.000 0.049 0.000 0.818 479 A HN 0.768 nan 8.150 nan 0.000 0.443 480 A N -0.431 122.454 122.820 0.108 0.000 1.933 480 A HA -0.157 4.163 4.320 0.000 0.000 0.218 480 A C 2.232 179.973 177.584 0.262 0.000 1.175 480 A CA 1.709 53.858 52.037 0.187 0.000 0.628 480 A CB -0.476 18.641 19.000 0.195 0.000 0.814 480 A HN 0.542 nan 8.150 nan 0.000 0.444 481 R N -0.922 119.682 120.500 0.174 0.000 2.081 481 R HA -0.114 4.226 4.340 0.000 0.000 0.235 481 R C 2.131 178.526 176.300 0.159 0.000 1.131 481 R CA 1.989 58.188 56.100 0.165 0.000 0.960 481 R CB -0.474 29.889 30.300 0.104 0.000 0.856 481 R HN 0.498 nan 8.270 nan 0.000 0.436 482 T N 1.231 115.851 114.554 0.110 0.000 2.777 482 T HA -0.065 4.285 4.350 0.000 0.000 0.266 482 T C 1.731 176.460 174.700 0.047 0.000 1.040 482 T CA 1.120 63.262 62.100 0.071 0.000 1.141 482 T CB -0.087 68.810 68.868 0.049 0.000 0.868 482 T HN 0.170 nan 8.240 nan 0.000 0.444 483 L N -0.269 120.973 121.223 0.030 0.000 2.081 483 L HA -0.084 4.256 4.340 0.000 0.000 0.212 483 L C 1.870 178.634 176.870 -0.176 0.000 1.080 483 L CA 1.408 56.196 54.840 -0.086 0.000 0.754 483 L CB -0.521 41.452 42.059 -0.143 0.000 0.893 483 L HN 0.248 nan 8.230 nan 0.000 0.433 484 F N -0.228 119.724 119.950 0.003 0.000 2.797 484 F HA 0.172 4.700 4.527 0.000 0.000 0.302 484 F C 1.717 177.519 175.800 0.003 0.000 1.130 484 F CA 0.656 58.657 58.000 0.001 0.000 1.387 484 F CB -0.070 38.930 39.000 0.000 0.000 1.107 484 F HN 0.173 nan 8.300 nan 0.000 0.577 485 G N 0.760 109.627 108.800 0.112 0.000 2.143 485 G HA2 -0.277 3.683 3.960 0.000 0.000 0.248 485 G HA3 -0.277 3.683 3.960 0.000 0.000 0.248 485 G C 0.299 175.244 174.900 0.075 0.000 0.991 485 G CA -0.479 44.662 45.100 0.068 0.000 0.689 485 G HN 0.249 nan 8.290 nan 0.000 0.522 486 R N 0.598 121.154 120.500 0.093 0.000 2.410 486 R HA 0.399 4.739 4.340 0.000 0.000 0.288 486 R C -0.584 175.747 176.300 0.052 0.000 1.051 486 R CA -0.731 55.412 56.100 0.071 0.000 1.021 486 R CB 0.788 31.132 30.300 0.073 0.000 1.032 486 R HN 0.157 nan 8.270 nan 0.000 0.481 487 D N 3.131 123.554 120.400 0.039 0.000 2.341 487 D HA 0.190 4.830 4.640 0.000 0.000 0.245 487 D C -2.154 174.163 176.300 0.029 0.000 1.106 487 D CA -1.688 52.328 54.000 0.027 0.000 0.905 487 D CB 0.684 41.496 40.800 0.021 0.000 1.202 487 D HN 0.077 nan 8.370 nan 0.000 0.426 488 P HA 0.033 nan 4.420 nan 0.000 0.265 488 P C -0.418 176.897 177.300 0.024 0.000 1.193 488 P CA 0.339 63.452 63.100 0.023 0.000 0.765 488 P CB 0.653 32.352 31.700 -0.002 0.000 0.823 489 Q N 0.000 119.821 119.800 0.035 0.000 2.315 489 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 489 Q CA 0.000 55.824 55.803 0.036 0.000 1.022 489 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 489 Q HN 0.000 nan 8.270 nan 0.000 0.481