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 2f24_1_A DATA FIRST_RESID 3 DATA SEQUENCE SLPVLQKESV FQSGAHAYRI PALLYLPGQQ SLLAFAEQRA XXXXXXAELI DATA SEQUENCE VLRRGDYDAP THQVQWQAQE VVAQARLDGH RSMNPCPLYD AQTGTLFLFF DATA SEQUENCE IAIPGQVTQQ QQLQTRANVT RLCQVTSTDH GRTWSSPRDL TDAAIGPAYR DATA SEQUENCE EWSTFAVGPG HCLQLNDRAR SLVVPAYAYR KLHPIQRPIP SAFCFLSHDH DATA SEQUENCE GRTWARGHFV AQDTLECQVA EVXXXXQRVV TLNARSHLRA RVQAQSTNDG DATA SEQUENCE LDFQESQLVK KLVEPPPQGC QGSVISFPSP RXXXXXXAQW LLYTHPTHSW DATA SEQUENCE QRADLGAYLN PRPPAPEAWS EPVLLAKGSC AYSDLQSMGT GPDGSPLFGC DATA SEQUENCE LYEANDYEEI VFLMFTLKQA FPAEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.408 174.600 -0.319 0.000 1.055 3 S CA 0.000 57.905 58.200 -0.491 0.000 1.107 3 S CB 0.000 62.849 63.200 -0.585 0.000 0.593 4 L N 1.863 122.951 121.223 -0.224 0.000 1.948 4 L HA 0.252 4.592 4.340 -0.000 0.000 0.212 4 L C -1.139 175.665 176.870 -0.111 0.000 1.074 4 L CA 1.607 56.357 54.840 -0.150 0.000 0.753 4 L CB -1.630 40.362 42.059 -0.112 0.000 0.888 4 L HN 0.667 nan 8.230 nan 0.000 0.432 5 P HA 0.328 nan 4.420 nan 0.000 0.290 5 P C -1.040 176.246 177.300 -0.024 0.000 1.276 5 P CA -0.077 62.996 63.100 -0.044 0.000 0.808 5 P CB 1.897 33.578 31.700 -0.032 0.000 0.966 6 V N 0.880 120.799 119.914 0.007 0.000 3.001 6 V HA 0.362 4.481 4.120 -0.000 0.000 0.314 6 V C 1.186 177.323 176.094 0.072 0.000 1.099 6 V CA -0.849 61.489 62.300 0.063 0.000 0.989 6 V CB 1.714 33.577 31.823 0.067 0.000 1.040 6 V HN 0.363 nan 8.190 nan 0.000 0.434 7 L N 0.258 121.538 121.223 0.095 0.000 2.179 7 L HA 0.298 4.637 4.340 -0.000 0.000 0.208 7 L C 1.135 178.099 176.870 0.158 0.000 1.096 7 L CA 1.182 56.084 54.840 0.104 0.000 0.779 7 L CB 0.001 42.116 42.059 0.093 0.000 0.922 7 L HN 0.918 nan 8.230 nan 0.000 0.443 8 Q N -0.083 119.802 119.800 0.143 0.000 2.386 8 Q HA 0.316 4.655 4.340 -0.000 0.000 0.274 8 Q C -1.416 174.658 176.000 0.123 0.000 1.011 8 Q CA -0.645 55.261 55.803 0.172 0.000 0.867 8 Q CB 2.262 31.174 28.738 0.290 0.000 1.409 8 Q HN -0.083 nan 8.270 nan 0.000 0.395 9 K N 2.810 123.296 120.400 0.142 0.000 2.668 9 K HA 0.370 4.689 4.320 -0.000 0.000 0.246 9 K C -1.904 174.780 176.600 0.139 0.000 0.976 9 K CA -0.216 56.143 56.287 0.120 0.000 0.902 9 K CB 1.569 34.123 32.500 0.089 0.000 1.172 9 K HN 0.644 nan 8.250 nan 0.000 0.452 10 E N 2.600 122.902 120.200 0.170 0.000 2.304 10 E HA 0.152 4.502 4.350 -0.000 0.000 0.277 10 E C -1.599 175.007 176.600 0.010 0.000 0.898 10 E CA -0.568 55.904 56.400 0.119 0.000 0.764 10 E CB 2.071 31.901 29.700 0.215 0.000 1.216 10 E HN 0.436 nan 8.360 nan 0.000 0.419 11 S N 2.864 118.531 115.700 -0.056 0.000 2.455 11 S HA 0.118 4.588 4.470 -0.000 0.000 0.278 11 S C 0.861 175.315 174.600 -0.243 0.000 1.216 11 S CA -0.258 57.865 58.200 -0.129 0.000 1.055 11 S CB 0.446 63.591 63.200 -0.093 0.000 0.939 11 S HN 0.461 nan 8.310 nan 0.000 0.494 12 V N 3.296 122.973 119.914 -0.395 0.000 3.644 12 V HA 0.535 4.654 4.120 -0.000 0.000 0.267 12 V C -0.288 175.206 176.094 -1.000 0.000 1.277 12 V CA 0.068 61.905 62.300 -0.772 0.000 1.096 12 V CB -0.827 30.273 31.823 -1.204 0.000 0.828 12 V HN 0.653 nan 8.190 nan 0.000 0.446 13 F N 0.427 120.167 119.950 -0.351 0.000 2.574 13 F HA 0.764 5.291 4.527 -0.001 0.000 0.313 13 F C -0.307 175.356 175.800 -0.228 0.000 1.130 13 F CA -0.689 57.038 58.000 -0.456 0.000 0.936 13 F CB 2.208 40.891 39.000 -0.527 0.000 1.219 13 F HN -0.031 nan 8.300 nan 0.000 0.445 14 Q N 1.424 121.250 119.800 0.043 0.000 2.345 14 Q HA 0.724 5.064 4.340 -0.000 0.000 0.275 14 Q C -1.297 174.867 176.000 0.274 0.000 1.063 14 Q CA -1.121 54.761 55.803 0.130 0.000 0.819 14 Q CB 2.883 31.639 28.738 0.031 0.000 1.356 14 Q HN 0.523 nan 8.270 nan 0.000 0.418 15 S N 0.054 115.862 115.700 0.180 0.000 2.550 15 S HA 0.368 4.837 4.470 -0.000 0.000 0.274 15 S C 0.324 174.876 174.600 -0.081 0.000 1.110 15 S CA -0.050 58.201 58.200 0.085 0.000 1.013 15 S CB 0.708 63.947 63.200 0.064 0.000 1.152 15 S HN 0.848 nan 8.310 nan 0.000 0.450 16 G N 2.571 111.307 108.800 -0.106 0.000 2.559 16 G HA2 0.175 4.135 3.960 -0.000 0.000 0.216 16 G HA3 0.175 4.135 3.960 -0.000 0.000 0.216 16 G C 1.022 175.706 174.900 -0.361 0.000 1.126 16 G CA 0.641 45.620 45.100 -0.201 0.000 0.778 16 G HN 1.062 nan 8.290 nan 0.000 0.543 17 A N -0.114 122.550 122.820 -0.260 0.000 2.345 17 A HA 0.434 4.754 4.320 -0.000 0.000 0.225 17 A C 0.740 178.265 177.584 -0.099 0.000 1.243 17 A CA 0.245 52.177 52.037 -0.175 0.000 0.875 17 A CB -0.371 18.584 19.000 -0.075 0.000 0.929 17 A HN 0.546 nan 8.150 nan 0.000 0.502 18 H N -2.481 116.580 119.070 -0.014 0.000 2.770 18 H HA -0.238 4.318 4.556 -0.000 0.000 0.309 18 H C 1.314 176.580 175.328 -0.104 0.000 1.206 18 H CA 0.481 56.524 56.048 -0.009 0.000 1.147 18 H CB -1.843 27.919 29.762 0.001 0.000 1.422 18 H HN 0.567 nan 8.280 nan 0.000 0.420 19 A N -0.926 121.803 122.820 -0.153 0.000 2.066 19 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 19 A C 0.312 177.550 177.584 -0.576 0.000 1.157 19 A CA 0.897 52.689 52.037 -0.409 0.000 0.670 19 A CB 0.089 18.715 19.000 -0.623 0.000 0.804 19 A HN 0.388 nan 8.150 nan 0.000 0.453 20 Y N -0.504 119.780 120.300 -0.028 0.000 2.335 20 Y HA 0.705 5.255 4.550 -0.001 0.000 0.338 20 Y C 0.605 176.460 175.900 -0.075 0.000 0.977 20 Y CA -0.698 57.340 58.100 -0.104 0.000 1.114 20 Y CB 1.164 39.544 38.460 -0.132 0.000 1.182 20 Y HN 0.106 nan 8.280 nan 0.000 0.463 21 R N 1.766 122.275 120.500 0.014 0.000 2.766 21 R HA 0.521 4.861 4.340 -0.000 0.000 0.270 21 R C -1.343 174.935 176.300 -0.036 0.000 1.035 21 R CA -1.123 54.968 56.100 -0.015 0.000 0.911 21 R CB 1.969 32.213 30.300 -0.093 0.000 1.243 21 R HN 0.596 nan 8.270 nan 0.000 0.460 22 I N 0.442 120.992 120.570 -0.034 0.000 7.356 22 I HA -0.145 4.025 4.170 -0.000 0.000 0.126 22 I C -2.295 173.895 176.117 0.122 0.000 1.829 22 I CA -0.095 61.243 61.300 0.063 0.000 2.068 22 I CB -2.088 35.941 38.000 0.047 0.000 3.620 22 I HN 0.482 nan 8.210 nan 0.000 0.179 23 P HA 0.473 nan 4.420 nan 0.000 0.275 23 P C -0.353 177.108 177.300 0.268 0.000 1.228 23 P CA -0.089 63.129 63.100 0.196 0.000 0.786 23 P CB 2.014 33.846 31.700 0.219 0.000 0.927 24 A N 2.759 125.773 122.820 0.323 0.000 2.427 24 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 24 A C -1.640 176.243 177.584 0.497 0.000 1.036 24 A CA -0.594 51.678 52.037 0.392 0.000 0.701 24 A CB 1.130 20.334 19.000 0.340 0.000 1.250 24 A HN 0.494 nan 8.150 nan 0.000 0.412 25 L N 2.267 123.777 121.223 0.478 0.000 2.365 25 L HA 0.890 5.230 4.340 -0.000 0.000 0.273 25 L C -1.534 175.622 176.870 0.477 0.000 1.000 25 L CA -0.725 54.396 54.840 0.469 0.000 0.819 25 L CB 1.790 44.103 42.059 0.423 0.000 1.284 25 L HN 0.718 nan 8.230 nan 0.000 0.418 26 L N 4.831 126.340 121.223 0.476 0.000 2.438 26 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 26 L C -1.781 175.305 176.870 0.360 0.000 0.972 26 L CA -0.314 54.795 54.840 0.448 0.000 0.831 26 L CB 1.597 43.985 42.059 0.549 0.000 1.273 26 L HN 0.603 nan 8.230 nan 0.000 0.405 27 Y N 5.287 125.685 120.300 0.162 0.000 2.320 27 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 27 Y C -1.081 174.777 175.900 -0.070 0.000 1.055 27 Y CA -0.811 57.315 58.100 0.043 0.000 1.143 27 Y CB 1.136 39.603 38.460 0.011 0.000 1.193 27 Y HN 0.527 nan 8.280 nan 0.000 0.477 28 L N 9.591 130.326 121.223 -0.813 0.000 2.277 28 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 28 L C -1.598 174.564 176.870 -1.181 0.000 1.028 28 L CA -1.770 52.569 54.840 -0.836 0.000 0.835 28 L CB 1.544 43.330 42.059 -0.455 0.000 1.215 28 L HN 0.567 nan 8.230 nan 0.000 0.425 29 P HA -0.138 nan 4.420 nan 0.000 0.218 29 P C 1.277 178.394 177.300 -0.305 0.000 1.149 29 P CA 1.296 64.081 63.100 -0.525 0.000 0.817 29 P CB 0.493 32.088 31.700 -0.175 0.000 0.785 30 G N 0.152 108.774 108.800 -0.297 0.000 2.395 30 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 30 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 30 G C 1.662 176.430 174.900 -0.219 0.000 1.177 30 G CA 0.355 45.352 45.100 -0.171 0.000 0.794 30 G HN 0.190 nan 8.290 nan 0.000 0.532 31 Q N -0.085 119.517 119.800 -0.330 0.000 2.311 31 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 31 Q C 0.576 176.432 176.000 -0.240 0.000 0.954 31 Q CA 0.374 55.983 55.803 -0.323 0.000 0.885 31 Q CB -0.027 28.464 28.738 -0.412 0.000 0.963 31 Q HN 0.644 nan 8.270 nan 0.000 0.471 32 Q N 0.350 119.968 119.800 -0.304 0.000 2.460 32 Q HA -0.118 4.221 4.340 -0.000 0.000 0.311 32 Q C -0.857 175.086 176.000 -0.095 0.000 1.396 32 Q CA 0.309 56.019 55.803 -0.156 0.000 0.838 32 Q CB -1.570 27.204 28.738 0.060 0.000 1.140 32 Q HN 0.131 nan 8.270 nan 0.000 0.415 33 S N -0.323 115.217 115.700 -0.268 0.000 2.661 33 S HA 0.839 5.309 4.470 -0.000 0.000 0.285 33 S C -0.490 174.033 174.600 -0.129 0.000 1.138 33 S CA -0.866 57.232 58.200 -0.171 0.000 0.855 33 S CB 1.898 64.989 63.200 -0.183 0.000 1.136 33 S HN 0.305 nan 8.310 nan 0.000 0.484 34 L N 1.288 122.448 121.223 -0.105 0.000 2.341 34 L HA 0.639 4.978 4.340 -0.000 0.000 0.267 34 L C -1.318 175.599 176.870 0.078 0.000 1.009 34 L CA -0.748 54.117 54.840 0.042 0.000 0.819 34 L CB 1.410 43.496 42.059 0.046 0.000 1.323 34 L HN 0.373 nan 8.230 nan 0.000 0.425 35 L N 2.212 123.540 121.223 0.174 0.000 2.343 35 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 35 L C -0.359 176.528 176.870 0.029 0.000 0.996 35 L CA -0.540 54.327 54.840 0.045 0.000 0.831 35 L CB 1.848 43.941 42.059 0.057 0.000 1.232 35 L HN 0.657 nan 8.230 nan 0.000 0.413 36 A N 4.244 127.056 122.820 -0.013 0.000 2.258 36 A HA 0.783 5.103 4.320 -0.000 0.000 0.316 36 A C -0.988 176.571 177.584 -0.043 0.000 1.279 36 A CA -0.254 51.817 52.037 0.056 0.000 0.876 36 A CB 0.235 19.175 19.000 -0.100 0.000 1.170 36 A HN 0.509 nan 8.150 nan 0.000 0.520 37 F N 1.438 121.517 119.950 0.216 0.000 2.483 37 F HA 0.796 5.323 4.527 -0.001 0.000 0.329 37 F C 0.650 176.418 175.800 -0.054 0.000 1.064 37 F CA 0.048 58.105 58.000 0.096 0.000 0.986 37 F CB 2.274 41.316 39.000 0.070 0.000 1.218 37 F HN 0.775 nan 8.300 nan 0.000 0.484 38 A N 0.894 123.703 122.820 -0.018 0.000 2.608 38 A HA 0.546 4.866 4.320 -0.000 0.000 0.292 38 A C -1.483 176.028 177.584 -0.122 0.000 1.066 38 A CA -0.895 51.010 52.037 -0.220 0.000 0.676 38 A CB 1.125 19.631 19.000 -0.825 0.000 1.277 38 A HN 0.704 nan 8.150 nan 0.000 0.413 39 E N 0.641 120.794 120.200 -0.078 0.000 2.283 39 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 39 E C -0.554 176.012 176.600 -0.057 0.000 1.027 39 E CA -0.295 56.074 56.400 -0.053 0.000 0.843 39 E CB 1.343 31.015 29.700 -0.046 0.000 1.062 39 E HN 0.504 nan 8.360 nan 0.000 0.401 40 Q N 3.958 123.719 119.800 -0.066 0.000 2.341 40 Q HA 0.230 4.570 4.340 -0.000 0.000 0.268 40 Q C -0.814 175.084 176.000 -0.169 0.000 1.013 40 Q CA -0.751 54.954 55.803 -0.162 0.000 0.798 40 Q CB 0.929 29.641 28.738 -0.044 0.000 1.253 40 Q HN 0.534 nan 8.270 nan 0.000 0.457 41 R N 1.887 122.253 120.500 -0.223 0.000 2.549 41 R HA 0.793 5.133 4.340 -0.000 0.000 0.259 41 R C -0.157 176.055 176.300 -0.147 0.000 1.095 41 R CA -0.455 55.554 56.100 -0.152 0.000 1.148 41 R CB 0.561 30.780 30.300 -0.135 0.000 1.181 41 R HN 0.470 nan 8.270 nan 0.000 0.571 50 E N 0.543 120.728 120.200 -0.024 0.000 2.417 50 E HA 0.408 4.757 4.350 -0.000 0.000 0.261 50 E C -0.818 175.763 176.600 -0.031 0.000 1.000 50 E CA 0.341 56.720 56.400 -0.035 0.000 0.919 50 E CB 0.229 29.910 29.700 -0.032 0.000 0.955 50 E HN 0.473 nan 8.360 nan 0.000 0.455 51 L N 4.070 125.266 121.223 -0.045 0.000 2.277 51 L HA 0.556 4.895 4.340 -0.000 0.000 0.254 51 L C -0.361 176.467 176.870 -0.069 0.000 1.044 51 L CA -1.241 53.562 54.840 -0.061 0.000 0.842 51 L CB 1.513 43.544 42.059 -0.046 0.000 1.422 51 L HN 0.514 nan 8.230 nan 0.000 0.422 52 I N 1.678 122.183 120.570 -0.109 0.000 2.354 52 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 52 I C -0.247 175.857 176.117 -0.022 0.000 0.989 52 I CA -0.776 60.474 61.300 -0.083 0.000 1.188 52 I CB 1.841 39.734 38.000 -0.177 0.000 1.342 52 I HN 0.260 nan 8.210 nan 0.000 0.457 53 V N 4.789 124.722 119.914 0.032 0.000 3.096 53 V HA 0.786 4.905 4.120 -0.000 0.000 0.319 53 V C -0.799 175.367 176.094 0.119 0.000 1.103 53 V CA -0.776 61.574 62.300 0.083 0.000 1.016 53 V CB 2.106 34.014 31.823 0.143 0.000 1.090 53 V HN 0.617 nan 8.190 nan 0.000 0.449 54 L N 1.269 122.566 121.223 0.122 0.000 2.466 54 L HA 0.779 5.119 4.340 -0.000 0.000 0.258 54 L C -0.847 176.051 176.870 0.047 0.000 0.973 54 L CA -0.488 54.361 54.840 0.015 0.000 0.826 54 L CB 2.340 44.314 42.059 -0.141 0.000 1.372 54 L HN 0.860 nan 8.230 nan 0.000 0.409 55 R N 2.969 123.464 120.500 -0.008 0.000 2.532 55 R HA 0.528 4.868 4.340 -0.000 0.000 0.297 55 R C -1.145 175.239 176.300 0.140 0.000 0.984 55 R CA -0.879 55.219 56.100 -0.003 0.000 0.884 55 R CB 2.458 32.617 30.300 -0.235 0.000 1.182 55 R HN 0.675 nan 8.270 nan 0.000 0.442 56 R N 1.178 121.759 120.500 0.135 0.000 2.404 56 R HA 0.540 4.880 4.340 -0.000 0.000 0.291 56 R C -0.723 175.596 176.300 0.032 0.000 1.025 56 R CA -0.328 55.827 56.100 0.091 0.000 0.991 56 R CB 1.478 31.793 30.300 0.025 0.000 1.053 56 R HN 0.786 nan 8.270 nan 0.000 0.479 57 G N 2.615 111.241 108.800 -0.290 0.000 2.732 57 G HA2 0.284 4.244 3.960 -0.000 0.000 0.295 57 G HA3 0.284 4.244 3.960 -0.000 0.000 0.295 57 G C -1.692 172.867 174.900 -0.569 0.000 1.456 57 G CA -0.575 44.042 45.100 -0.805 0.000 1.050 57 G HN 0.579 nan 8.290 nan 0.000 0.525 58 D N 0.330 120.488 120.400 -0.403 0.000 2.168 58 D HA 0.295 4.935 4.640 -0.000 0.000 0.246 58 D C -0.616 175.579 176.300 -0.175 0.000 1.050 58 D CA -0.118 53.742 54.000 -0.233 0.000 0.857 58 D CB 1.582 42.280 40.800 -0.170 0.000 1.169 58 D HN 0.341 nan 8.370 nan 0.000 0.453 59 Y N 1.848 122.038 120.300 -0.184 0.000 2.531 59 Y HA 0.158 4.708 4.550 -0.000 0.000 0.347 59 Y C -0.236 175.609 175.900 -0.093 0.000 1.024 59 Y CA -0.670 57.361 58.100 -0.114 0.000 1.306 59 Y CB 0.371 38.818 38.460 -0.021 0.000 1.149 59 Y HN 0.254 nan 8.280 nan 0.000 0.527 60 D N 5.317 125.432 120.400 -0.476 0.000 2.411 60 D HA 0.372 5.012 4.640 -0.000 0.000 0.225 60 D C 0.868 176.775 176.300 -0.655 0.000 1.156 60 D CA 0.431 54.170 54.000 -0.434 0.000 0.874 60 D CB 0.979 41.605 40.800 -0.289 0.000 1.034 60 D HN 0.732 nan 8.370 nan 0.000 0.502 61 A N 5.304 127.784 122.820 -0.566 0.000 1.873 61 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 61 A C -0.263 177.163 177.584 -0.263 0.000 1.193 61 A CA 1.164 52.943 52.037 -0.431 0.000 0.629 61 A CB -1.455 17.448 19.000 -0.162 0.000 0.826 61 A HN 0.571 nan 8.150 nan 0.000 0.447 62 P HA -0.125 nan 4.420 nan 0.000 0.217 62 P C 1.308 178.470 177.300 -0.229 0.000 1.148 62 P CA 2.083 65.085 63.100 -0.163 0.000 0.828 62 P CB -0.120 31.498 31.700 -0.138 0.000 0.783 63 T N -5.991 108.367 114.554 -0.327 0.000 3.044 63 T HA 0.114 4.464 4.350 -0.000 0.000 0.260 63 T C 0.307 174.543 174.700 -0.774 0.000 1.019 63 T CA 0.051 61.860 62.100 -0.486 0.000 0.921 63 T CB -1.155 67.523 68.868 -0.317 0.000 1.053 63 T HN 0.244 nan 8.240 nan 0.000 0.533 64 H N 1.216 120.138 119.070 -0.246 0.000 2.557 64 H HA -0.115 4.441 4.556 -0.000 0.000 0.319 64 H C -0.657 174.659 175.328 -0.020 0.000 1.102 64 H CA 0.519 56.440 56.048 -0.212 0.000 1.126 64 H CB -2.803 26.975 29.762 0.026 0.000 1.498 64 H HN 0.442 nan 8.280 nan 0.000 0.411 65 Q N -0.250 119.510 119.800 -0.067 0.000 2.421 65 Q HA 0.648 4.988 4.340 -0.000 0.000 0.280 65 Q C -0.475 175.525 176.000 0.000 0.000 1.085 65 Q CA -0.992 54.852 55.803 0.068 0.000 0.807 65 Q CB 3.111 31.846 28.738 -0.004 0.000 1.405 65 Q HN 0.207 nan 8.270 nan 0.000 0.419 66 V N 2.294 122.231 119.914 0.038 0.000 2.383 66 V HA 0.186 4.306 4.120 -0.000 0.000 0.275 66 V C -0.064 175.767 176.094 -0.439 0.000 1.036 66 V CA -0.431 61.706 62.300 -0.272 0.000 0.889 66 V CB 1.143 32.630 31.823 -0.560 0.000 0.985 66 V HN 0.582 nan 8.190 nan 0.000 0.459 67 Q N 4.640 124.195 119.800 -0.407 0.000 2.406 67 Q HA 0.241 4.581 4.340 -0.000 0.000 0.242 67 Q C -1.078 174.717 176.000 -0.343 0.000 1.036 67 Q CA -0.174 55.464 55.803 -0.276 0.000 0.904 67 Q CB 0.787 29.420 28.738 -0.176 0.000 1.244 67 Q HN 0.696 nan 8.270 nan 0.000 0.478 68 W N 2.436 123.664 121.300 -0.121 0.000 2.266 68 W HA 0.119 4.779 4.660 -0.001 0.000 0.317 68 W C 0.695 177.133 176.519 -0.134 0.000 1.310 68 W CA -0.259 56.989 57.345 -0.162 0.000 1.207 68 W CB 0.580 29.910 29.460 -0.216 0.000 1.199 68 W HN 0.452 nan 8.180 nan 0.000 0.544 69 Q N 1.847 121.719 119.800 0.119 0.000 2.171 69 Q HA 0.611 4.950 4.340 -0.000 0.000 0.217 69 Q C 0.142 176.158 176.000 0.027 0.000 0.995 69 Q CA -0.984 54.844 55.803 0.042 0.000 0.979 69 Q CB 0.847 29.594 28.738 0.016 0.000 1.152 69 Q HN 0.599 nan 8.270 nan 0.000 0.525 70 A N 0.963 123.786 122.820 0.005 0.000 2.498 70 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 70 A C -0.097 177.480 177.584 -0.012 0.000 1.068 70 A CA 0.027 52.057 52.037 -0.012 0.000 0.766 70 A CB 0.109 19.108 19.000 -0.001 0.000 1.003 70 A HN 0.661 nan 8.150 nan 0.000 0.497 71 Q N 0.814 120.593 119.800 -0.035 0.000 2.364 71 Q HA 0.284 4.623 4.340 -0.000 0.000 0.267 71 Q C -0.645 175.382 176.000 0.045 0.000 0.999 71 Q CA 0.583 56.384 55.803 -0.004 0.000 0.886 71 Q CB 0.367 29.103 28.738 -0.004 0.000 1.243 71 Q HN 0.738 nan 8.270 nan 0.000 0.415 72 E N 1.896 122.139 120.200 0.072 0.000 2.356 72 E HA 0.318 4.668 4.350 -0.000 0.000 0.275 72 E C -1.458 175.191 176.600 0.082 0.000 0.904 72 E CA -0.849 55.596 56.400 0.075 0.000 0.757 72 E CB 2.270 32.017 29.700 0.078 0.000 1.232 72 E HN 0.407 nan 8.360 nan 0.000 0.442 73 V N 2.136 122.090 119.914 0.067 0.000 2.583 73 V HA 0.061 4.181 4.120 -0.000 0.000 0.287 73 V C 0.137 176.242 176.094 0.020 0.000 1.051 73 V CA -0.426 61.899 62.300 0.042 0.000 1.010 73 V CB 1.385 33.226 31.823 0.030 0.000 0.988 73 V HN 0.465 nan 8.190 nan 0.000 0.478 74 V N 5.771 125.662 119.914 -0.039 0.000 2.153 74 V HA 0.144 4.264 4.120 -0.000 0.000 0.250 74 V C 1.446 177.462 176.094 -0.130 0.000 1.334 74 V CA 0.556 62.781 62.300 -0.125 0.000 1.249 74 V CB -0.188 31.452 31.823 -0.305 0.000 1.371 74 V HN 1.094 nan 8.190 nan 0.000 0.498 75 A N 3.140 125.937 122.820 -0.038 0.000 1.958 75 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 75 A C 2.124 179.686 177.584 -0.037 0.000 1.178 75 A CA 1.602 53.625 52.037 -0.022 0.000 0.642 75 A CB -0.219 18.794 19.000 0.023 0.000 0.816 75 A HN 0.659 nan 8.150 nan 0.000 0.453 76 Q N -0.729 119.058 119.800 -0.023 0.000 2.230 76 Q HA 0.028 4.367 4.340 -0.000 0.000 0.202 76 Q C 1.364 177.320 176.000 -0.073 0.000 0.963 76 Q CA 0.979 56.784 55.803 0.004 0.000 0.866 76 Q CB -0.510 28.288 28.738 0.099 0.000 0.931 76 Q HN 0.615 nan 8.270 nan 0.000 0.452 77 A N 2.563 125.211 122.820 -0.287 0.000 3.048 77 A HA 0.233 4.553 4.320 -0.000 0.000 0.264 77 A C 0.029 177.229 177.584 -0.641 0.000 1.796 77 A CA -0.187 51.422 52.037 -0.713 0.000 1.445 77 A CB -0.804 17.546 19.000 -1.083 0.000 1.074 77 A HN 0.292 nan 8.150 nan 0.000 0.621 78 R N -0.579 119.856 120.500 -0.107 0.000 2.739 78 R HA 0.573 4.913 4.340 -0.000 0.000 0.266 78 R C -2.311 174.066 176.300 0.129 0.000 1.044 78 R CA -1.006 55.127 56.100 0.054 0.000 0.885 78 R CB 0.456 30.744 30.300 -0.021 0.000 1.260 78 R HN 0.070 nan 8.270 nan 0.000 0.477 79 L N 1.762 123.057 121.223 0.120 0.000 2.329 79 L HA 0.370 4.709 4.340 -0.000 0.000 0.279 79 L C -0.444 176.502 176.870 0.127 0.000 1.014 79 L CA -0.317 54.538 54.840 0.027 0.000 0.814 79 L CB 1.630 43.526 42.059 -0.273 0.000 1.257 79 L HN 0.584 nan 8.230 nan 0.000 0.424 80 D N 2.664 123.135 120.400 0.119 0.000 2.533 80 D HA 0.216 4.855 4.640 -0.000 0.000 0.236 80 D C 1.161 177.609 176.300 0.247 0.000 1.137 80 D CA 1.394 55.479 54.000 0.141 0.000 0.867 80 D CB 0.783 41.641 40.800 0.096 0.000 1.170 80 D HN 0.841 nan 8.370 nan 0.000 0.474 81 G N 1.845 110.735 108.800 0.151 0.000 2.168 81 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.263 81 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.263 81 G C 0.060 174.953 174.900 -0.011 0.000 0.977 81 G CA 0.511 45.652 45.100 0.069 0.000 0.659 81 G HN 0.671 nan 8.290 nan 0.000 0.533 82 H N -0.437 118.653 119.070 0.032 0.000 2.731 82 H HA 0.723 5.279 4.556 -0.001 0.000 0.368 82 H C 0.609 175.958 175.328 0.034 0.000 1.168 82 H CA -0.621 55.450 56.048 0.038 0.000 1.181 82 H CB 0.887 30.685 29.762 0.061 0.000 1.743 82 H HN 0.474 nan 8.280 nan 0.000 0.547 83 R N 0.926 121.514 120.500 0.147 0.000 2.407 83 R HA 0.657 4.997 4.340 -0.000 0.000 0.303 83 R C -0.885 175.485 176.300 0.117 0.000 0.981 83 R CA -0.783 55.367 56.100 0.083 0.000 0.905 83 R CB 1.146 31.464 30.300 0.030 0.000 1.099 83 R HN 0.356 nan 8.270 nan 0.000 0.459 84 S N 4.068 119.815 115.700 0.079 0.000 2.508 84 S HA 0.580 5.050 4.470 -0.000 0.000 0.284 84 S C 0.078 174.717 174.600 0.065 0.000 1.192 84 S CA -0.812 57.452 58.200 0.107 0.000 1.070 84 S CB 1.109 64.273 63.200 -0.059 0.000 1.004 84 S HN 0.689 nan 8.310 nan 0.000 0.493 85 M N 0.843 120.518 119.600 0.125 0.000 2.813 85 M HA 0.566 5.046 4.480 -0.000 0.000 0.270 85 M C -1.038 175.333 176.300 0.118 0.000 1.267 85 M CA -0.820 54.527 55.300 0.079 0.000 0.822 85 M CB 1.119 33.748 32.600 0.049 0.000 1.671 85 M HN 0.547 nan 8.290 nan 0.000 0.468 86 N N 0.994 119.754 118.700 0.100 0.000 2.681 86 N HA -0.082 4.658 4.740 -0.000 0.000 0.259 86 N C -2.572 173.017 175.510 0.132 0.000 1.066 86 N CA 0.221 53.348 53.050 0.128 0.000 0.717 86 N CB -1.048 37.516 38.487 0.129 0.000 0.885 86 N HN 0.536 nan 8.380 nan 0.000 0.547 87 P HA 0.031 nan 4.420 nan 0.000 0.267 87 P C -0.131 177.196 177.300 0.044 0.000 1.205 87 P CA 0.158 63.256 63.100 -0.004 0.000 0.765 87 P CB 1.024 32.677 31.700 -0.079 0.000 0.828 88 C N 7.085 126.423 119.300 0.064 0.000 2.978 88 C HA 0.412 4.871 4.460 -0.000 0.000 0.274 88 C C -2.512 172.608 174.990 0.218 0.000 1.087 88 C CA -2.252 56.869 59.018 0.172 0.000 1.453 88 C CB 0.515 28.395 27.740 0.235 0.000 1.838 88 C HN 0.476 nan 8.230 nan 0.000 0.470 89 P HA 0.563 nan 4.420 nan 0.000 0.282 89 P C -1.207 176.339 177.300 0.411 0.000 1.259 89 P CA -0.379 62.853 63.100 0.220 0.000 0.826 89 P CB 2.088 33.896 31.700 0.181 0.000 1.064 90 L N 2.618 124.122 121.223 0.468 0.000 2.505 90 L HA 0.491 4.831 4.340 -0.000 0.000 0.259 90 L C -1.890 175.313 176.870 0.556 0.000 0.952 90 L CA -1.104 54.041 54.840 0.508 0.000 0.840 90 L CB 1.830 44.192 42.059 0.506 0.000 1.358 90 L HN 0.334 nan 8.230 nan 0.000 0.409 91 Y N 3.700 124.227 120.300 0.380 0.000 2.331 91 Y HA 0.525 5.075 4.550 -0.001 0.000 0.338 91 Y C -0.704 175.388 175.900 0.319 0.000 0.976 91 Y CA -0.589 57.707 58.100 0.327 0.000 1.137 91 Y CB 1.106 39.717 38.460 0.252 0.000 1.172 91 Y HN 0.697 nan 8.280 nan 0.000 0.478 92 D N 5.155 125.410 120.400 -0.241 0.000 2.380 92 D HA 0.262 4.902 4.640 -0.000 0.000 0.230 92 D C 0.609 176.509 176.300 -0.667 0.000 1.154 92 D CA 0.314 54.198 54.000 -0.194 0.000 0.859 92 D CB 1.637 42.540 40.800 0.171 0.000 1.045 92 D HN 0.864 nan 8.370 nan 0.000 0.495 93 A N 3.925 126.439 122.820 -0.510 0.000 2.067 93 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 93 A C 1.881 179.411 177.584 -0.090 0.000 1.158 93 A CA 1.113 52.971 52.037 -0.297 0.000 0.661 93 A CB -0.234 18.821 19.000 0.091 0.000 0.801 93 A HN 0.692 nan 8.150 nan 0.000 0.452 94 Q N -0.503 119.265 119.800 -0.055 0.000 2.137 94 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 94 Q C 2.001 177.941 176.000 -0.101 0.000 0.960 94 Q CA 1.922 57.706 55.803 -0.033 0.000 0.847 94 Q CB -0.008 28.745 28.738 0.024 0.000 0.915 94 Q HN 0.749 nan 8.270 nan 0.000 0.448 95 T N -5.306 109.158 114.554 -0.150 0.000 3.023 95 T HA 0.329 4.679 4.350 -0.000 0.000 0.249 95 T C 1.331 175.981 174.700 -0.082 0.000 1.050 95 T CA 0.652 62.672 62.100 -0.133 0.000 1.088 95 T CB 0.801 69.571 68.868 -0.162 0.000 0.946 95 T HN 0.446 nan 8.240 nan 0.000 0.480 96 G N 1.160 109.889 108.800 -0.118 0.000 2.195 96 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 96 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 96 G C 0.252 175.163 174.900 0.019 0.000 0.984 96 G CA 0.159 45.261 45.100 0.002 0.000 0.633 96 G HN 0.742 nan 8.290 nan 0.000 0.525 97 T N 1.999 116.517 114.554 -0.061 0.000 2.930 97 T HA 0.525 4.875 4.350 -0.000 0.000 0.306 97 T C 0.644 175.347 174.700 0.005 0.000 1.045 97 T CA 0.184 62.230 62.100 -0.090 0.000 1.134 97 T CB 1.121 69.884 68.868 -0.175 0.000 0.961 97 T HN 0.351 nan 8.240 nan 0.000 0.545 98 L N 3.015 124.216 121.223 -0.036 0.000 2.317 98 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 98 L C -0.704 176.207 176.870 0.068 0.000 1.024 98 L CA -0.787 54.155 54.840 0.170 0.000 0.810 98 L CB 0.990 43.175 42.059 0.211 0.000 1.240 98 L HN 0.565 nan 8.230 nan 0.000 0.427 99 F N 3.117 123.186 119.950 0.200 0.000 2.495 99 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 99 F C -0.254 175.508 175.800 -0.063 0.000 1.103 99 F CA -0.696 57.291 58.000 -0.021 0.000 0.949 99 F CB 2.032 40.874 39.000 -0.263 0.000 1.142 99 F HN 0.198 nan 8.300 nan 0.000 0.457 100 L N 5.064 126.273 121.223 -0.024 0.000 2.388 100 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 100 L C -1.537 175.270 176.870 -0.106 0.000 0.995 100 L CA -0.373 54.369 54.840 -0.164 0.000 0.864 100 L CB -0.071 41.703 42.059 -0.475 0.000 1.216 100 L HN 0.320 nan 8.230 nan 0.000 0.430 101 F N 5.427 125.473 119.950 0.160 0.000 2.375 101 F HA 0.685 5.212 4.527 -0.000 0.000 0.333 101 F C 0.219 176.122 175.800 0.171 0.000 1.104 101 F CA -0.026 58.034 58.000 0.100 0.000 1.149 101 F CB 1.010 40.009 39.000 -0.001 0.000 1.190 101 F HN 0.466 nan 8.300 nan 0.000 0.533 102 F N 0.302 120.320 119.950 0.113 0.000 2.773 102 F HA 0.707 5.233 4.527 -0.001 0.000 0.314 102 F C -2.048 173.770 175.800 0.030 0.000 1.160 102 F CA -1.537 56.481 58.000 0.031 0.000 0.920 102 F CB 0.876 39.850 39.000 -0.045 0.000 1.323 102 F HN 0.062 nan 8.300 nan 0.000 0.457 103 I N 2.152 122.798 120.570 0.127 0.000 2.460 103 I HA 0.711 4.881 4.170 -0.000 0.000 0.298 103 I C -0.304 175.873 176.117 0.100 0.000 0.989 103 I CA -1.005 60.282 61.300 -0.022 0.000 1.173 103 I CB 1.300 39.255 38.000 -0.074 0.000 1.338 103 I HN 0.929 nan 8.210 nan 0.000 0.456 104 A N 7.603 130.433 122.820 0.017 0.000 2.343 104 A HA 0.853 5.173 4.320 -0.000 0.000 0.308 104 A C -0.793 176.906 177.584 0.192 0.000 1.092 104 A CA -0.438 51.679 52.037 0.133 0.000 0.751 104 A CB 1.100 20.128 19.000 0.046 0.000 1.203 104 A HN 0.598 nan 8.150 nan 0.000 0.452 105 I N 2.711 123.418 120.570 0.227 0.000 2.545 105 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 105 I C -2.522 173.616 176.117 0.035 0.000 1.040 105 I CA -2.532 58.866 61.300 0.163 0.000 1.068 105 I CB 2.806 40.825 38.000 0.033 0.000 1.251 105 I HN 0.366 nan 8.210 nan 0.000 0.424 106 P HA -0.036 nan 4.420 nan 0.000 0.264 106 P C 0.882 178.070 177.300 -0.187 0.000 1.183 106 P CA 0.344 63.187 63.100 -0.428 0.000 0.763 106 P CB 0.646 32.165 31.700 -0.302 0.000 0.807 107 G N 2.590 111.291 108.800 -0.165 0.000 2.470 107 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 107 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 107 G C 0.243 175.102 174.900 -0.070 0.000 1.121 107 G CA 0.539 45.591 45.100 -0.081 0.000 0.766 107 G HN 0.682 nan 8.290 nan 0.000 0.553 108 Q N -1.321 118.430 119.800 -0.082 0.000 2.501 108 Q HA 0.599 4.939 4.340 -0.000 0.000 0.288 108 Q C -1.225 174.740 176.000 -0.059 0.000 1.051 108 Q CA -1.090 54.677 55.803 -0.059 0.000 0.788 108 Q CB 1.889 30.599 28.738 -0.047 0.000 1.469 108 Q HN -0.127 nan 8.270 nan 0.000 0.416 109 V N 2.336 122.224 119.914 -0.043 0.000 2.617 109 V HA 0.083 4.203 4.120 -0.000 0.000 0.304 109 V C 0.681 176.756 176.094 -0.032 0.000 1.040 109 V CA 0.743 63.022 62.300 -0.035 0.000 1.149 109 V CB 0.295 32.101 31.823 -0.027 0.000 0.914 109 V HN 0.932 nan 8.190 nan 0.000 0.487 110 T N 2.005 116.543 114.554 -0.026 0.000 2.881 110 T HA 0.272 4.622 4.350 -0.000 0.000 0.278 110 T C 0.886 175.583 174.700 -0.006 0.000 0.982 110 T CA -0.530 61.560 62.100 -0.018 0.000 0.989 110 T CB 1.160 70.023 68.868 -0.009 0.000 1.058 110 T HN 0.623 nan 8.240 nan 0.000 0.529 111 Q N -0.100 119.700 119.800 -0.001 0.000 2.096 111 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 111 Q C 2.420 178.424 176.000 0.007 0.000 0.982 111 Q CA 1.818 57.622 55.803 0.002 0.000 0.850 111 Q CB -0.234 28.508 28.738 0.005 0.000 0.901 111 Q HN 0.875 nan 8.270 nan 0.000 0.422 112 Q N 1.001 120.809 119.800 0.014 0.000 2.096 112 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 112 Q C 1.954 177.964 176.000 0.016 0.000 0.982 112 Q CA 1.539 57.355 55.803 0.021 0.000 0.850 112 Q CB 0.068 28.828 28.738 0.037 0.000 0.901 112 Q HN 0.437 nan 8.270 nan 0.000 0.422 113 Q N -0.669 119.137 119.800 0.011 0.000 2.224 113 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 113 Q C 2.160 178.159 176.000 -0.002 0.000 0.970 113 Q CA 0.880 56.685 55.803 0.004 0.000 0.865 113 Q CB 0.142 28.878 28.738 -0.003 0.000 0.922 113 Q HN 0.421 nan 8.270 nan 0.000 0.445 114 Q N 0.202 120.000 119.800 -0.003 0.000 2.170 114 Q HA -0.101 4.238 4.340 -0.000 0.000 0.203 114 Q C 1.989 177.987 176.000 -0.003 0.000 0.976 114 Q CA 1.112 56.912 55.803 -0.005 0.000 0.858 114 Q CB 0.080 28.815 28.738 -0.005 0.000 0.907 114 Q HN 0.450 nan 8.270 nan 0.000 0.433 115 L N -0.311 120.913 121.223 0.000 0.000 2.253 115 L HA 0.015 4.354 4.340 -0.000 0.000 0.205 115 L C 0.479 177.349 176.870 0.001 0.000 1.078 115 L CA 0.494 55.335 54.840 0.001 0.000 0.805 115 L CB 0.224 42.285 42.059 0.004 0.000 0.963 115 L HN -0.020 nan 8.230 nan 0.000 0.459 116 Q N 0.184 119.986 119.800 0.003 0.000 2.464 116 Q HA 0.166 4.506 4.340 -0.000 0.000 0.256 116 Q C 0.939 176.940 176.000 0.001 0.000 1.020 116 Q CA 0.060 55.865 55.803 0.003 0.000 0.716 116 Q CB 1.511 30.255 28.738 0.010 0.000 1.230 116 Q HN 0.280 nan 8.270 nan 0.000 0.494 117 T N -0.690 113.860 114.554 -0.006 0.000 2.685 117 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 117 T C 1.138 175.831 174.700 -0.011 0.000 1.034 117 T CA 1.204 63.297 62.100 -0.012 0.000 1.149 117 T CB 0.068 68.926 68.868 -0.017 0.000 0.860 117 T HN 0.414 nan 8.240 nan 0.000 0.449 118 R N 1.614 122.110 120.500 -0.005 0.000 2.449 118 R HA 0.571 4.911 4.340 -0.000 0.000 0.262 118 R C 0.629 176.935 176.300 0.011 0.000 1.006 118 R CA -0.074 56.026 56.100 0.000 0.000 1.104 118 R CB 0.025 30.328 30.300 0.006 0.000 1.206 118 R HN 0.501 nan 8.270 nan 0.000 0.538 119 A N 1.630 124.457 122.820 0.012 0.000 2.477 119 A HA 0.026 4.346 4.320 -0.000 0.000 0.246 119 A C 0.004 177.601 177.584 0.021 0.000 1.078 119 A CA -0.300 51.751 52.037 0.022 0.000 0.770 119 A CB 0.138 19.159 19.000 0.035 0.000 1.011 119 A HN 0.186 nan 8.150 nan 0.000 0.494 120 N N 1.543 120.238 118.700 -0.009 0.000 2.411 120 N HA 0.246 4.986 4.740 -0.000 0.000 0.259 120 N C 0.379 175.961 175.510 0.120 0.000 1.103 120 N CA 0.269 53.279 53.050 -0.067 0.000 0.954 120 N CB 1.102 39.293 38.487 -0.495 0.000 1.085 120 N HN 0.664 nan 8.380 nan 0.000 0.485 121 V N 0.302 120.311 119.914 0.159 0.000 3.252 121 V HA 0.348 4.467 4.120 -0.000 0.000 0.320 121 V C 0.393 176.643 176.094 0.260 0.000 1.459 121 V CA -0.373 62.066 62.300 0.233 0.000 1.095 121 V CB -0.306 31.591 31.823 0.124 0.000 0.997 121 V HN 0.385 nan 8.190 nan 0.000 0.469 122 T N 3.793 118.499 114.554 0.254 0.000 2.869 122 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 122 T C -0.138 174.751 174.700 0.316 0.000 0.987 122 T CA -0.186 61.987 62.100 0.121 0.000 1.109 122 T CB 0.932 69.660 68.868 -0.233 0.000 0.932 122 T HN 0.374 nan 8.240 nan 0.000 0.518 123 R N 2.030 122.616 120.500 0.143 0.000 2.670 123 R HA 0.492 4.832 4.340 -0.000 0.000 0.289 123 R C -1.033 175.320 176.300 0.089 0.000 0.965 123 R CA -1.133 55.069 56.100 0.170 0.000 0.899 123 R CB 1.500 31.799 30.300 -0.000 0.000 1.173 123 R HN 0.431 nan 8.270 nan 0.000 0.456 124 L N 2.370 123.706 121.223 0.190 0.000 2.264 124 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 124 L C -0.900 175.839 176.870 -0.219 0.000 1.044 124 L CA -0.093 54.767 54.840 0.034 0.000 0.807 124 L CB 0.647 42.733 42.059 0.045 0.000 1.192 124 L HN 0.658 nan 8.230 nan 0.000 0.425 125 C N 3.599 122.614 119.300 -0.475 0.000 2.973 125 C HA 0.914 5.374 4.460 -0.000 0.000 0.329 125 C C -0.499 174.177 174.990 -0.524 0.000 1.327 125 C CA -0.670 57.961 59.018 -0.645 0.000 1.632 125 C CB 2.005 29.029 27.740 -1.193 0.000 2.098 125 C HN 0.897 nan 8.230 nan 0.000 0.469 126 Q N 0.068 119.728 119.800 -0.233 0.000 2.472 126 Q HA 0.790 5.130 4.340 -0.000 0.000 0.281 126 Q C -1.652 174.450 176.000 0.170 0.000 0.997 126 Q CA -0.690 55.122 55.803 0.014 0.000 0.828 126 Q CB 1.713 30.456 28.738 0.009 0.000 1.443 126 Q HN 0.844 nan 8.270 nan 0.000 0.390 127 V N -1.535 118.491 119.914 0.188 0.000 2.925 127 V HA 0.935 5.055 4.120 -0.000 0.000 0.311 127 V C -0.488 175.755 176.094 0.248 0.000 1.104 127 V CA -0.038 62.395 62.300 0.222 0.000 0.954 127 V CB 1.491 33.444 31.823 0.216 0.000 1.022 127 V HN 1.063 nan 8.190 nan 0.000 0.427 128 T N -0.100 114.574 114.554 0.200 0.000 2.916 128 T HA 0.822 5.171 4.350 -0.000 0.000 0.292 128 T C -0.315 174.352 174.700 -0.055 0.000 1.064 128 T CA -0.531 61.568 62.100 -0.001 0.000 1.011 128 T CB 1.783 70.437 68.868 -0.358 0.000 1.152 128 T HN 1.356 nan 8.240 nan 0.000 0.510 129 S N -0.170 115.318 115.700 -0.353 0.000 2.547 129 S HA 0.572 5.042 4.470 -0.000 0.000 0.281 129 S C 0.511 174.868 174.600 -0.404 0.000 1.118 129 S CA -0.248 57.600 58.200 -0.587 0.000 0.947 129 S CB 1.416 63.839 63.200 -1.294 0.000 1.053 129 S HN 1.082 nan 8.310 nan 0.000 0.482 130 T N -0.222 114.125 114.554 -0.345 0.000 3.085 130 T HA 0.243 4.593 4.350 -0.000 0.000 0.264 130 T C -0.104 174.375 174.700 -0.369 0.000 1.019 130 T CA -0.035 61.892 62.100 -0.288 0.000 0.910 130 T CB -0.298 68.444 68.868 -0.211 0.000 1.059 130 T HN 0.602 nan 8.240 nan 0.000 0.542 131 D N 0.305 120.449 120.400 -0.426 0.000 2.891 131 D HA 0.149 4.789 4.640 -0.000 0.000 0.312 131 D C -0.060 175.965 176.300 -0.459 0.000 1.354 131 D CA -0.851 52.851 54.000 -0.497 0.000 0.838 131 D CB -1.304 39.322 40.800 -0.290 0.000 1.117 131 D HN 0.558 nan 8.370 nan 0.000 0.473 132 H N -0.812 118.166 119.070 -0.155 0.000 2.899 132 H HA -0.106 4.450 4.556 -0.000 0.000 0.282 132 H C 1.386 176.623 175.328 -0.152 0.000 1.198 132 H CA 0.729 56.710 56.048 -0.113 0.000 1.140 132 H CB -1.504 28.210 29.762 -0.079 0.000 1.317 132 H HN 0.602 nan 8.280 nan 0.000 0.375 133 G N -0.526 108.084 108.800 -0.318 0.000 2.141 133 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.242 133 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.242 133 G C 1.144 175.890 174.900 -0.256 0.000 0.982 133 G CA 0.465 45.292 45.100 -0.455 0.000 0.662 133 G HN 0.559 nan 8.290 nan 0.000 0.527 134 R N 0.106 120.470 120.500 -0.226 0.000 2.093 134 R HA 0.125 4.465 4.340 -0.000 0.000 0.224 134 R C 1.413 177.655 176.300 -0.096 0.000 1.101 134 R CA 1.671 57.722 56.100 -0.083 0.000 0.979 134 R CB -0.058 30.207 30.300 -0.059 0.000 0.877 134 R HN 0.679 nan 8.270 nan 0.000 0.441 135 T N -2.728 111.653 114.554 -0.288 0.000 2.906 135 T HA 0.489 4.839 4.350 -0.000 0.000 0.295 135 T C -1.258 173.182 174.700 -0.434 0.000 1.061 135 T CA -0.937 61.058 62.100 -0.175 0.000 1.000 135 T CB 1.707 70.521 68.868 -0.090 0.000 1.103 135 T HN 0.111 nan 8.240 nan 0.000 0.486 136 W N 1.124 122.428 121.300 0.008 0.000 2.781 136 W HA 0.650 5.310 4.660 -0.000 0.000 0.345 136 W C 0.672 177.187 176.519 -0.007 0.000 1.085 136 W CA -0.764 56.581 57.345 0.001 0.000 1.198 136 W CB 1.767 31.239 29.460 0.019 0.000 1.423 136 W HN 0.997 nan 8.180 nan 0.000 0.532 137 S N 0.494 116.319 115.700 0.209 0.000 2.617 137 S HA 0.426 4.896 4.470 -0.000 0.000 0.259 137 S C 0.401 175.085 174.600 0.140 0.000 1.301 137 S CA -0.579 57.691 58.200 0.118 0.000 0.984 137 S CB 0.486 63.728 63.200 0.070 0.000 0.954 137 S HN 0.521 nan 8.310 nan 0.000 0.572 138 S N 1.111 116.869 115.700 0.095 0.000 2.579 138 S HA 0.369 4.839 4.470 -0.000 0.000 0.275 138 S C -2.447 172.218 174.600 0.108 0.000 1.345 138 S CA -1.107 57.148 58.200 0.091 0.000 1.031 138 S CB -0.393 62.846 63.200 0.064 0.000 0.892 138 S HN 0.757 nan 8.310 nan 0.000 0.529 139 P HA 0.163 nan 4.420 nan 0.000 0.268 139 P C -0.818 176.533 177.300 0.085 0.000 1.205 139 P CA -0.276 62.916 63.100 0.154 0.000 0.771 139 P CB 0.453 32.281 31.700 0.213 0.000 0.858 140 R N 2.268 122.807 120.500 0.065 0.000 2.393 140 R HA 0.223 4.563 4.340 -0.000 0.000 0.315 140 R C -0.672 175.611 176.300 -0.028 0.000 0.952 140 R CA -0.579 55.541 56.100 0.033 0.000 0.842 140 R CB 0.792 31.134 30.300 0.071 0.000 1.163 140 R HN 0.369 nan 8.270 nan 0.000 0.450 141 D N 5.765 126.138 120.400 -0.045 0.000 2.365 141 D HA 0.075 4.715 4.640 -0.000 0.000 0.237 141 D C 0.719 176.973 176.300 -0.077 0.000 1.190 141 D CA -0.112 53.833 54.000 -0.091 0.000 0.867 141 D CB 1.024 41.771 40.800 -0.089 0.000 1.050 141 D HN 0.633 nan 8.370 nan 0.000 0.491 142 L N 2.871 124.028 121.223 -0.110 0.000 2.592 142 L HA -0.004 4.336 4.340 -0.000 0.000 0.227 142 L C 2.222 178.986 176.870 -0.177 0.000 1.127 142 L CA -0.022 54.739 54.840 -0.131 0.000 0.884 142 L CB -0.171 41.749 42.059 -0.231 0.000 1.065 142 L HN 0.318 nan 8.230 nan 0.000 0.457 143 T N 0.047 114.513 114.554 -0.147 0.000 2.565 143 T HA -0.266 4.083 4.350 -0.000 0.000 0.265 143 T C 1.386 175.968 174.700 -0.198 0.000 1.082 143 T CA 2.119 64.128 62.100 -0.151 0.000 1.173 143 T CB -0.267 68.509 68.868 -0.153 0.000 0.864 143 T HN 0.378 nan 8.240 nan 0.000 0.425 144 D N 1.290 121.576 120.400 -0.190 0.000 2.117 144 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 144 D C 2.380 178.622 176.300 -0.097 0.000 0.987 144 D CA 1.353 55.255 54.000 -0.164 0.000 0.829 144 D CB -0.471 40.249 40.800 -0.133 0.000 0.961 144 D HN 0.470 nan 8.370 nan 0.000 0.460 145 A N 0.747 123.531 122.820 -0.060 0.000 1.968 145 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 145 A C 2.219 179.821 177.584 0.030 0.000 1.169 145 A CA 1.810 53.851 52.037 0.008 0.000 0.638 145 A CB -0.237 18.805 19.000 0.070 0.000 0.812 145 A HN 0.250 nan 8.150 nan 0.000 0.446 146 A N -0.838 121.939 122.820 -0.072 0.000 1.956 146 A HA 0.321 4.641 4.320 -0.000 0.000 0.212 146 A C 1.955 179.585 177.584 0.077 0.000 1.188 146 A CA 1.009 52.993 52.037 -0.088 0.000 0.675 146 A CB -0.190 18.414 19.000 -0.660 0.000 0.845 146 A HN 0.410 nan 8.150 nan 0.000 0.455 147 I N -1.754 118.802 120.570 -0.022 0.000 2.810 147 I HA 0.253 4.423 4.170 -0.000 0.000 0.262 147 I C 1.780 177.812 176.117 -0.141 0.000 1.131 147 I CA 0.706 61.976 61.300 -0.050 0.000 1.453 147 I CB -0.438 37.454 38.000 -0.179 0.000 1.161 147 I HN 0.471 nan 8.210 nan 0.000 0.444 148 G N 1.963 110.685 108.800 -0.130 0.000 2.574 148 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.286 148 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.286 148 G C -1.578 173.238 174.900 -0.140 0.000 1.212 148 G CA 0.215 45.244 45.100 -0.119 0.000 0.979 148 G HN 0.159 nan 8.290 nan 0.000 0.557 149 P HA 0.024 nan 4.420 nan 0.000 0.217 149 P C 2.111 179.305 177.300 -0.177 0.000 1.148 149 P CA 2.973 66.005 63.100 -0.113 0.000 0.828 149 P CB -0.293 31.357 31.700 -0.084 0.000 0.783 150 A N -1.899 120.745 122.820 -0.293 0.000 2.121 150 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 150 A C 2.060 179.124 177.584 -0.866 0.000 1.154 150 A CA 0.885 52.619 52.037 -0.505 0.000 0.679 150 A CB -1.707 16.965 19.000 -0.547 0.000 0.795 150 A HN 0.135 nan 8.150 nan 0.000 0.458 151 Y N 0.913 120.743 120.300 -0.784 0.000 2.062 151 Y HA -0.314 4.235 4.550 -0.000 0.000 0.276 151 Y C 2.338 178.016 175.900 -0.370 0.000 1.189 151 Y CA 2.444 60.154 58.100 -0.649 0.000 1.130 151 Y CB -0.236 38.027 38.460 -0.329 0.000 0.959 151 Y HN 0.305 nan 8.280 nan 0.000 0.499 152 R N 0.179 120.586 120.500 -0.155 0.000 2.316 152 R HA -0.085 4.254 4.340 -0.000 0.000 0.202 152 R C 1.514 177.750 176.300 -0.106 0.000 1.029 152 R CA 1.105 57.146 56.100 -0.098 0.000 1.018 152 R CB -0.165 30.135 30.300 0.001 0.000 0.888 152 R HN 0.551 nan 8.270 nan 0.000 0.471 153 E N -0.748 119.340 120.200 -0.188 0.000 2.489 153 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 153 E C -0.370 176.376 176.600 0.243 0.000 1.057 153 E CA 0.129 56.523 56.400 -0.010 0.000 0.866 153 E CB 0.336 30.035 29.700 -0.001 0.000 0.916 153 E HN 0.161 nan 8.360 nan 0.000 0.500 154 W N 0.095 121.368 121.300 -0.045 0.000 2.719 154 W HA 0.199 4.859 4.660 0.000 0.000 0.352 154 W C 1.291 177.794 176.519 -0.027 0.000 1.085 154 W CA -1.394 55.949 57.345 -0.005 0.000 1.187 154 W CB 0.669 30.151 29.460 0.036 0.000 1.417 154 W HN -0.172 nan 8.180 nan 0.000 0.557 155 S N -0.774 115.090 115.700 0.273 0.000 2.456 155 S HA 0.189 4.659 4.470 -0.000 0.000 0.224 155 S C 0.586 175.263 174.600 0.129 0.000 1.035 155 S CA 0.980 59.260 58.200 0.132 0.000 0.940 155 S CB 0.442 63.687 63.200 0.074 0.000 0.799 155 S HN 0.563 nan 8.310 nan 0.000 0.508 156 T N -0.063 114.643 114.554 0.254 0.000 2.686 156 T HA 0.535 4.885 4.350 -0.000 0.000 0.308 156 T C -2.191 172.746 174.700 0.394 0.000 1.667 156 T CA -0.636 61.598 62.100 0.224 0.000 0.987 156 T CB 0.657 69.543 68.868 0.029 0.000 1.652 156 T HN 0.672 nan 8.240 nan 0.000 0.496 157 F N -0.520 119.502 119.950 0.120 0.000 2.877 157 F HA 0.944 5.471 4.527 -0.001 0.000 0.319 157 F C -1.259 174.436 175.800 -0.176 0.000 1.174 157 F CA -0.672 57.288 58.000 -0.066 0.000 0.903 157 F CB 0.828 39.885 39.000 0.094 0.000 1.357 157 F HN 0.977 nan 8.300 nan 0.000 0.472 158 A N 0.430 123.055 122.820 -0.324 0.000 2.610 158 A HA 0.791 5.110 4.320 -0.000 0.000 0.291 158 A C -1.562 175.967 177.584 -0.091 0.000 1.086 158 A CA -0.304 51.556 52.037 -0.296 0.000 0.677 158 A CB 1.283 20.065 19.000 -0.363 0.000 1.278 158 A HN 2.034 nan 8.150 nan 0.000 0.414 159 V N -0.727 119.210 119.914 0.038 0.000 2.769 159 V HA 0.937 5.057 4.120 -0.000 0.000 0.312 159 V C 0.976 177.127 176.094 0.096 0.000 1.058 159 V CA 0.288 62.624 62.300 0.060 0.000 0.952 159 V CB 0.482 32.343 31.823 0.062 0.000 1.019 159 V HN 2.921 nan 8.190 nan 0.000 0.445 160 G N 3.296 112.139 108.800 0.072 0.000 2.611 160 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.301 160 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.301 160 G C -1.935 173.058 174.900 0.155 0.000 1.233 160 G CA 0.257 45.410 45.100 0.088 0.000 0.993 160 G HN 1.033 nan 8.290 nan 0.000 0.553 161 P HA 0.482 nan 4.420 nan 0.000 0.274 161 P C 0.656 178.042 177.300 0.144 0.000 1.260 161 P CA 1.689 64.894 63.100 0.175 0.000 0.793 161 P CB 0.640 32.488 31.700 0.245 0.000 1.048 162 G N -0.325 108.580 108.800 0.176 0.000 2.655 162 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.680 162 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.680 162 G C -0.631 174.378 174.900 0.181 0.000 1.302 162 G CA -0.172 45.056 45.100 0.213 0.000 0.872 162 G HN 1.125 nan 8.290 nan 0.000 0.540 163 H N -1.336 117.880 119.070 0.244 0.000 2.948 163 H HA 0.520 5.075 4.556 -0.001 0.000 0.351 163 H C 1.035 176.507 175.328 0.240 0.000 1.079 163 H CA 0.135 56.343 56.048 0.267 0.000 1.407 163 H CB 0.220 30.157 29.762 0.291 0.000 1.373 163 H HN 0.729 nan 8.280 nan 0.000 0.605 164 C N 2.676 122.115 119.300 0.231 0.000 2.534 164 C HA 0.584 5.044 4.460 -0.000 0.000 0.398 164 C C 0.141 175.295 174.990 0.273 0.000 1.609 164 C CA -0.701 58.419 59.018 0.170 0.000 1.916 164 C CB 0.746 28.636 27.740 0.250 0.000 1.954 164 C HN 0.845 nan 8.230 nan 0.000 0.508 165 L N 1.030 122.386 121.223 0.222 0.000 2.381 165 L HA 0.570 4.909 4.340 -0.000 0.000 0.268 165 L C -0.732 176.260 176.870 0.203 0.000 0.997 165 L CA -0.003 54.983 54.840 0.243 0.000 0.818 165 L CB 1.564 43.744 42.059 0.201 0.000 1.310 165 L HN 0.797 nan 8.230 nan 0.000 0.416 166 Q N 3.745 123.670 119.800 0.208 0.000 2.330 166 Q HA 0.596 4.936 4.340 -0.000 0.000 0.269 166 Q C -1.614 174.472 176.000 0.145 0.000 1.022 166 Q CA -0.677 55.221 55.803 0.159 0.000 0.796 166 Q CB 1.594 30.434 28.738 0.170 0.000 1.271 166 Q HN 0.799 nan 8.270 nan 0.000 0.450 167 L N 2.516 123.803 121.223 0.108 0.000 2.456 167 L HA 0.322 4.662 4.340 -0.000 0.000 0.257 167 L C 0.700 177.626 176.870 0.092 0.000 1.162 167 L CA -0.645 54.254 54.840 0.099 0.000 0.808 167 L CB 0.499 42.606 42.059 0.081 0.000 1.136 167 L HN 0.711 nan 8.230 nan 0.000 0.466 168 N N 0.732 119.483 118.700 0.084 0.000 2.376 168 N HA 0.038 4.778 4.740 -0.000 0.000 0.249 168 N C -0.633 174.909 175.510 0.054 0.000 1.140 168 N CA -0.136 52.959 53.050 0.075 0.000 0.870 168 N CB -0.077 38.455 38.487 0.075 0.000 1.124 168 N HN 0.601 nan 8.380 nan 0.000 0.505 169 D N -0.809 119.620 120.400 0.048 0.000 2.411 169 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 169 D C 1.336 177.650 176.300 0.022 0.000 1.201 169 D CA -0.554 53.463 54.000 0.028 0.000 0.996 169 D CB 1.367 42.181 40.800 0.022 0.000 1.101 169 D HN -0.261 nan 8.370 nan 0.000 0.504 170 R N 0.128 120.630 120.500 0.002 0.000 2.103 170 R HA -0.124 4.215 4.340 -0.000 0.000 0.242 170 R C 1.763 178.068 176.300 0.008 0.000 1.142 170 R CA 1.723 57.824 56.100 0.002 0.000 0.960 170 R CB -1.102 29.188 30.300 -0.017 0.000 0.858 170 R HN 0.667 nan 8.270 nan 0.000 0.439 171 A N 0.420 123.231 122.820 -0.016 0.000 2.167 171 A HA 0.028 4.347 4.320 -0.000 0.000 0.214 171 A C 0.195 177.759 177.584 -0.033 0.000 1.151 171 A CA 0.089 52.109 52.037 -0.028 0.000 0.735 171 A CB 0.074 19.036 19.000 -0.064 0.000 0.802 171 A HN 0.244 nan 8.150 nan 0.000 0.467 172 R N 0.105 120.615 120.500 0.016 0.000 3.267 172 R HA -0.109 4.231 4.340 -0.000 0.000 0.254 172 R C -0.300 175.980 176.300 -0.034 0.000 0.993 172 R CA 0.841 56.964 56.100 0.038 0.000 0.670 172 R CB -3.163 27.208 30.300 0.118 0.000 1.125 172 R HN 0.516 nan 8.270 nan 0.000 0.434 173 S N 0.641 116.334 115.700 -0.012 0.000 2.563 173 S HA 0.246 4.716 4.470 -0.000 0.000 0.284 173 S C 1.152 175.720 174.600 -0.053 0.000 1.331 173 S CA -0.285 57.886 58.200 -0.049 0.000 1.047 173 S CB 0.913 64.155 63.200 0.069 0.000 0.859 173 S HN 0.279 nan 8.310 nan 0.000 0.514 174 L N 2.462 123.607 121.223 -0.130 0.000 2.295 174 L HA 0.600 4.939 4.340 -0.000 0.000 0.285 174 L C -0.794 176.109 176.870 0.055 0.000 1.035 174 L CA -0.803 54.020 54.840 -0.030 0.000 0.806 174 L CB 1.159 43.167 42.059 -0.085 0.000 1.214 174 L HN 0.301 nan 8.230 nan 0.000 0.426 175 V N 3.915 123.900 119.914 0.117 0.000 2.483 175 V HA 0.370 4.489 4.120 -0.000 0.000 0.297 175 V C -0.181 175.974 176.094 0.101 0.000 1.027 175 V CA -0.612 61.767 62.300 0.131 0.000 0.855 175 V CB 2.275 34.163 31.823 0.109 0.000 0.995 175 V HN 0.442 nan 8.190 nan 0.000 0.424 176 V N 7.571 127.522 119.914 0.062 0.000 2.357 176 V HA 0.415 4.535 4.120 -0.000 0.000 0.284 176 V C -2.075 173.967 176.094 -0.087 0.000 1.018 176 V CA -1.784 60.466 62.300 -0.083 0.000 0.841 176 V CB 1.976 33.566 31.823 -0.387 0.000 0.991 176 V HN 0.712 nan 8.190 nan 0.000 0.437 177 P HA 0.528 nan 4.420 nan 0.000 0.275 177 P C -0.594 176.557 177.300 -0.247 0.000 1.228 177 P CA 0.092 63.093 63.100 -0.166 0.000 0.786 177 P CB 1.952 33.593 31.700 -0.100 0.000 0.927 178 A N 2.681 125.212 122.820 -0.482 0.000 2.515 178 A HA 0.844 5.163 4.320 -0.000 0.000 0.299 178 A C -1.864 175.434 177.584 -0.478 0.000 1.179 178 A CA -0.611 51.097 52.037 -0.549 0.000 0.656 178 A CB 1.205 19.636 19.000 -0.948 0.000 1.306 178 A HN 0.667 nan 8.150 nan 0.000 0.459 179 Y N -3.097 116.984 120.300 -0.365 0.000 2.565 179 Y HA 0.809 5.359 4.550 0.000 0.000 0.330 179 Y C -0.680 175.254 175.900 0.057 0.000 1.150 179 Y CA -0.644 57.405 58.100 -0.086 0.000 1.055 179 Y CB 0.893 39.254 38.460 -0.165 0.000 1.337 179 Y HN 1.645 nan 8.280 nan 0.000 0.457 180 A N 1.896 124.707 122.820 -0.014 0.000 2.435 180 A HA 0.716 5.036 4.320 -0.000 0.000 0.304 180 A C -2.363 174.964 177.584 -0.428 0.000 1.064 180 A CA -0.904 50.897 52.037 -0.392 0.000 0.727 180 A CB 0.972 19.157 19.000 -1.358 0.000 1.284 180 A HN 0.733 nan 8.150 nan 0.000 0.415 181 Y N 1.765 121.965 120.300 -0.167 0.000 2.504 181 Y HA 0.333 4.883 4.550 -0.000 0.000 0.351 181 Y C 0.926 176.760 175.900 -0.111 0.000 0.988 181 Y CA 0.365 58.417 58.100 -0.080 0.000 1.239 181 Y CB 0.729 39.202 38.460 0.022 0.000 1.128 181 Y HN 0.556 nan 8.280 nan 0.000 0.525 182 R N 3.369 123.812 120.500 -0.096 0.000 2.265 182 R HA 0.231 4.571 4.340 -0.000 0.000 0.314 182 R C -0.283 176.066 176.300 0.082 0.000 1.053 182 R CA -0.619 55.465 56.100 -0.028 0.000 0.931 182 R CB 0.721 30.886 30.300 -0.226 0.000 1.024 182 R HN 0.525 nan 8.270 nan 0.000 0.457 183 K N 4.027 124.517 120.400 0.149 0.000 2.307 183 K HA 0.086 4.405 4.320 -0.000 0.000 0.240 183 K C 0.783 177.445 176.600 0.103 0.000 1.214 183 K CA -0.034 56.322 56.287 0.115 0.000 1.149 183 K CB 0.259 32.824 32.500 0.109 0.000 1.668 183 K HN 0.488 nan 8.250 nan 0.000 0.314 184 L N 0.265 121.542 121.223 0.090 0.000 2.313 184 L HA -0.024 4.316 4.340 -0.000 0.000 0.214 184 L C 0.485 177.456 176.870 0.167 0.000 1.119 184 L CA 0.722 55.617 54.840 0.092 0.000 0.809 184 L CB -0.158 41.927 42.059 0.044 0.000 0.933 184 L HN 0.516 nan 8.230 nan 0.000 0.449 185 H N -1.840 117.243 119.070 0.021 0.000 3.026 185 H HA 0.240 4.796 4.556 -0.000 0.000 0.352 185 H C -2.122 173.216 175.328 0.017 0.000 1.090 185 H CA -1.775 54.283 56.048 0.017 0.000 1.268 185 H CB 1.881 31.649 29.762 0.011 0.000 1.816 185 H HN -0.321 nan 8.280 nan 0.000 0.518 186 P HA -0.157 nan 4.420 nan 0.000 0.217 186 P C 1.486 178.654 177.300 -0.220 0.000 1.151 186 P CA 1.363 64.330 63.100 -0.222 0.000 0.849 186 P CB 0.475 32.036 31.700 -0.232 0.000 0.787 187 I N -2.014 118.340 120.570 -0.361 0.000 2.429 187 I HA -0.060 4.109 4.170 -0.000 0.000 0.247 187 I C 0.505 176.590 176.117 -0.053 0.000 1.099 187 I CA 0.468 61.666 61.300 -0.170 0.000 1.422 187 I CB -0.050 37.861 38.000 -0.149 0.000 1.112 187 I HN -0.118 nan 8.210 nan 0.000 0.430 188 Q N 2.694 122.504 119.800 0.017 0.000 2.395 188 Q HA 0.081 4.421 4.340 -0.000 0.000 0.271 188 Q C -0.385 175.642 176.000 0.044 0.000 1.026 188 Q CA 0.345 56.191 55.803 0.072 0.000 0.900 188 Q CB 0.303 29.127 28.738 0.144 0.000 1.266 188 Q HN 0.394 nan 8.270 nan 0.000 0.430 189 R N 2.086 122.608 120.500 0.037 0.000 2.594 189 R HA 0.232 4.571 4.340 -0.000 0.000 0.272 189 R C -2.029 174.313 176.300 0.069 0.000 1.074 189 R CA -1.543 54.578 56.100 0.035 0.000 1.105 189 R CB -0.479 29.834 30.300 0.023 0.000 1.008 189 R HN 0.350 nan 8.270 nan 0.000 0.472 190 P HA -0.038 nan 4.420 nan 0.000 0.265 190 P C -0.579 176.846 177.300 0.208 0.000 1.187 190 P CA 0.587 63.774 63.100 0.144 0.000 0.766 190 P CB 0.436 32.239 31.700 0.172 0.000 0.820 191 I N 5.477 126.114 120.570 0.112 0.000 2.354 191 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 191 I C -2.032 174.018 176.117 -0.112 0.000 0.989 191 I CA -2.622 58.703 61.300 0.041 0.000 1.188 191 I CB 2.016 40.003 38.000 -0.022 0.000 1.342 191 I HN 0.174 nan 8.210 nan 0.000 0.457 192 P HA 0.258 nan 4.420 nan 0.000 0.282 192 P C -0.958 176.151 177.300 -0.318 0.000 1.249 192 P CA -0.370 62.435 63.100 -0.491 0.000 0.806 192 P CB 1.551 32.784 31.700 -0.778 0.000 0.984 193 S N 0.536 116.055 115.700 -0.302 0.000 2.546 193 S HA 0.616 5.086 4.470 -0.000 0.000 0.272 193 S C -0.426 174.254 174.600 0.134 0.000 1.140 193 S CA -0.519 57.573 58.200 -0.179 0.000 0.920 193 S CB 1.637 64.578 63.200 -0.431 0.000 1.083 193 S HN 0.662 nan 8.310 nan 0.000 0.476 194 A N 2.287 125.175 122.820 0.113 0.000 2.287 194 A HA 0.967 5.287 4.320 -0.000 0.000 0.273 194 A C -0.397 177.350 177.584 0.272 0.000 1.091 194 A CA -0.284 51.827 52.037 0.123 0.000 0.817 194 A CB -0.012 18.927 19.000 -0.101 0.000 1.069 194 A HN 1.193 nan 8.150 nan 0.000 0.492 195 F N -2.063 117.830 119.950 -0.095 0.000 3.194 195 F HA 0.616 5.143 4.527 -0.001 0.000 0.327 195 F C -1.242 174.455 175.800 -0.173 0.000 1.141 195 F CA -1.440 56.464 58.000 -0.159 0.000 0.862 195 F CB 0.345 39.130 39.000 -0.357 0.000 1.447 195 F HN 0.582 nan 8.300 nan 0.000 0.479 196 C N 0.986 120.254 119.300 -0.053 0.000 2.634 196 C HA 0.761 5.221 4.460 -0.000 0.000 0.313 196 C C -1.128 173.806 174.990 -0.094 0.000 1.198 196 C CA -0.597 58.332 59.018 -0.149 0.000 1.605 196 C CB 1.397 29.214 27.740 0.128 0.000 2.196 196 C HN 0.596 nan 8.230 nan 0.000 0.486 197 F N 2.281 122.237 119.950 0.009 0.000 2.421 197 F HA 0.729 5.256 4.527 -0.000 0.000 0.337 197 F C 0.005 175.936 175.800 0.219 0.000 1.105 197 F CA -0.645 57.416 58.000 0.102 0.000 1.049 197 F CB 1.304 40.199 39.000 -0.175 0.000 1.139 197 F HN 0.311 nan 8.300 nan 0.000 0.479 198 L N 2.609 124.112 121.223 0.466 0.000 2.408 198 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 198 L C -0.868 175.946 176.870 -0.094 0.000 0.986 198 L CA -0.127 54.812 54.840 0.164 0.000 0.820 198 L CB 2.027 44.067 42.059 -0.031 0.000 1.303 198 L HN 0.474 nan 8.230 nan 0.000 0.411 199 S N 2.582 117.998 115.700 -0.475 0.000 2.571 199 S HA 0.506 4.975 4.470 -0.000 0.000 0.284 199 S C -0.117 174.114 174.600 -0.614 0.000 1.128 199 S CA -0.517 57.188 58.200 -0.825 0.000 0.970 199 S CB 0.655 62.854 63.200 -1.668 0.000 1.039 199 S HN 0.800 nan 8.310 nan 0.000 0.485 200 H N 2.767 121.639 119.070 -0.330 0.000 2.575 200 H HA 0.183 4.738 4.556 -0.001 0.000 0.267 200 H C -0.193 174.926 175.328 -0.348 0.000 0.966 200 H CA 0.435 56.319 56.048 -0.274 0.000 1.165 200 H CB 0.325 29.986 29.762 -0.169 0.000 1.433 200 H HN 0.713 nan 8.280 nan 0.000 0.544 201 D N -0.739 119.495 120.400 -0.275 0.000 2.892 201 D HA 0.041 4.680 4.640 -0.000 0.000 0.291 201 D C -0.213 175.982 176.300 -0.176 0.000 1.341 201 D CA -0.589 53.280 54.000 -0.219 0.000 0.844 201 D CB -0.611 40.138 40.800 -0.084 0.000 1.093 201 D HN 0.095 nan 8.370 nan 0.000 0.480 202 H N 0.050 119.047 119.070 -0.122 0.000 2.791 202 H HA -0.145 4.411 4.556 -0.000 0.000 0.302 202 H C 1.409 176.726 175.328 -0.018 0.000 1.198 202 H CA 0.996 57.017 56.048 -0.045 0.000 1.145 202 H CB -1.589 28.225 29.762 0.087 0.000 1.385 202 H HN 0.716 nan 8.280 nan 0.000 0.409 203 G N -0.348 108.275 108.800 -0.295 0.000 2.157 203 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.248 203 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.248 203 G C 1.059 175.919 174.900 -0.068 0.000 0.979 203 G CA 0.815 45.786 45.100 -0.215 0.000 0.650 203 G HN 0.598 nan 8.290 nan 0.000 0.529 204 R N 0.584 121.010 120.500 -0.124 0.000 2.073 204 R HA 0.128 4.468 4.340 -0.000 0.000 0.229 204 R C 1.416 177.668 176.300 -0.079 0.000 1.120 204 R CA 2.020 58.106 56.100 -0.023 0.000 0.967 204 R CB -0.079 30.220 30.300 -0.002 0.000 0.862 204 R HN 0.660 nan 8.270 nan 0.000 0.436 205 T N -3.143 111.256 114.554 -0.258 0.000 2.907 205 T HA 0.506 4.856 4.350 -0.000 0.000 0.292 205 T C -1.193 173.243 174.700 -0.440 0.000 1.043 205 T CA -0.878 61.112 62.100 -0.184 0.000 1.003 205 T CB 1.601 70.416 68.868 -0.089 0.000 1.084 205 T HN 0.213 nan 8.240 nan 0.000 0.483 206 W N 0.183 121.472 121.300 -0.018 0.000 2.936 206 W HA 0.732 5.392 4.660 -0.001 0.000 0.338 206 W C -0.478 176.047 176.519 0.011 0.000 1.121 206 W CA -0.977 56.355 57.345 -0.022 0.000 1.209 206 W CB 2.396 31.824 29.460 -0.052 0.000 1.420 206 W HN 1.054 nan 8.180 nan 0.000 0.516 207 A N 2.440 125.445 122.820 0.309 0.000 2.365 207 A HA 0.825 5.144 4.320 -0.000 0.000 0.318 207 A C -1.185 176.566 177.584 0.279 0.000 1.091 207 A CA -1.047 51.107 52.037 0.196 0.000 0.763 207 A CB 1.480 20.527 19.000 0.078 0.000 1.248 207 A HN 0.701 nan 8.150 nan 0.000 0.442 208 R N 1.977 122.574 120.500 0.161 0.000 2.229 208 R HA 0.487 4.827 4.340 -0.000 0.000 0.332 208 R C 0.475 176.703 176.300 -0.119 0.000 0.989 208 R CA 0.028 56.165 56.100 0.061 0.000 0.842 208 R CB 0.847 31.128 30.300 -0.032 0.000 1.119 208 R HN 0.928 nan 8.270 nan 0.000 0.456 209 G N 2.208 110.984 108.800 -0.039 0.000 2.634 209 G HA2 0.095 4.054 3.960 -0.000 0.000 0.255 209 G HA3 0.095 4.054 3.960 -0.000 0.000 0.255 209 G C -0.708 174.059 174.900 -0.222 0.000 1.205 209 G CA -0.469 44.622 45.100 -0.015 0.000 0.884 209 G HN 0.691 nan 8.290 nan 0.000 0.549 210 H N -0.798 118.225 119.070 -0.078 0.000 2.615 210 H HA 0.328 4.883 4.556 -0.000 0.000 0.363 210 H C -0.022 175.264 175.328 -0.071 0.000 1.148 210 H CA 0.025 55.990 56.048 -0.139 0.000 1.401 210 H CB 0.489 30.253 29.762 0.003 0.000 1.461 210 H HN 0.282 nan 8.280 nan 0.000 0.588 211 F N 0.761 120.795 119.950 0.140 0.000 2.496 211 F HA 0.121 4.648 4.527 -0.001 0.000 0.344 211 F C 1.073 176.933 175.800 0.101 0.000 1.155 211 F CA -0.331 57.722 58.000 0.089 0.000 1.302 211 F CB 0.182 39.180 39.000 -0.003 0.000 1.159 211 F HN 0.320 nan 8.300 nan 0.000 0.595 212 V N -0.053 120.004 119.914 0.238 0.000 3.859 212 V HA 0.812 4.932 4.120 -0.000 0.000 0.277 212 V C 0.521 176.653 176.094 0.064 0.000 1.173 212 V CA -1.077 61.269 62.300 0.075 0.000 0.872 212 V CB -0.177 31.570 31.823 -0.127 0.000 1.240 212 V HN 0.918 nan 8.190 nan 0.000 0.437 213 A N -0.358 122.461 122.820 -0.002 0.000 2.507 213 A HA 0.251 4.571 4.320 -0.000 0.000 0.235 213 A C 0.413 177.969 177.584 -0.047 0.000 1.070 213 A CA -0.047 51.979 52.037 -0.018 0.000 0.768 213 A CB -0.563 18.416 19.000 -0.036 0.000 1.011 213 A HN 0.841 nan 8.150 nan 0.000 0.502 214 Q N -0.173 119.594 119.800 -0.056 0.000 2.417 214 Q HA 0.198 4.538 4.340 -0.000 0.000 0.241 214 Q C -0.515 175.438 176.000 -0.078 0.000 1.008 214 Q CA 0.078 55.827 55.803 -0.090 0.000 0.901 214 Q CB 0.334 29.027 28.738 -0.076 0.000 1.259 214 Q HN 0.740 nan 8.270 nan 0.000 0.489 215 D N 0.526 120.874 120.400 -0.086 0.000 2.835 215 D HA -0.117 4.523 4.640 -0.000 0.000 0.230 215 D C -1.033 175.177 176.300 -0.151 0.000 1.130 215 D CA 1.341 55.314 54.000 -0.045 0.000 0.738 215 D CB -1.074 39.755 40.800 0.049 0.000 1.090 215 D HN 0.676 nan 8.370 nan 0.000 0.433 216 T N -1.965 112.470 114.554 -0.198 0.000 2.841 216 T HA 0.747 5.097 4.350 -0.000 0.000 0.283 216 T C 0.670 175.165 174.700 -0.342 0.000 1.000 216 T CA -0.893 61.055 62.100 -0.254 0.000 0.977 216 T CB 2.551 71.305 68.868 -0.189 0.000 0.979 216 T HN -0.022 nan 8.240 nan 0.000 0.446 217 L N 0.492 121.429 121.223 -0.477 0.000 2.845 217 L HA 0.549 4.888 4.340 -0.000 0.000 0.223 217 L C 0.358 176.687 176.870 -0.902 0.000 1.981 217 L CA -1.052 53.279 54.840 -0.849 0.000 2.671 217 L CB -0.491 41.097 42.059 -0.785 0.000 2.610 217 L HN 0.637 nan 8.230 nan 0.000 0.629 218 E N 0.621 120.238 120.200 -0.972 0.000 2.652 218 E HA 0.159 4.509 4.350 -0.000 0.000 0.255 218 E C -0.638 175.792 176.600 -0.283 0.000 0.952 218 E CA 0.344 56.453 56.400 -0.485 0.000 0.947 218 E CB 0.087 29.596 29.700 -0.319 0.000 0.912 218 E HN 0.523 nan 8.360 nan 0.000 0.489 219 C N 1.522 120.726 119.300 -0.160 0.000 3.236 219 C HA 0.679 5.139 4.460 -0.000 0.000 0.312 219 C C -0.939 174.002 174.990 -0.082 0.000 1.374 219 C CA -0.822 58.117 59.018 -0.131 0.000 1.455 219 C CB 1.462 29.104 27.740 -0.163 0.000 1.834 219 C HN 0.751 nan 8.230 nan 0.000 0.460 220 Q N 0.373 120.140 119.800 -0.056 0.000 2.456 220 Q HA 0.761 5.101 4.340 -0.000 0.000 0.284 220 Q C -1.134 174.872 176.000 0.010 0.000 1.061 220 Q CA -0.737 55.040 55.803 -0.043 0.000 0.799 220 Q CB 2.692 31.413 28.738 -0.028 0.000 1.445 220 Q HN 1.025 nan 8.270 nan 0.000 0.411 221 V N -2.385 117.552 119.914 0.038 0.000 2.914 221 V HA 1.048 5.168 4.120 -0.000 0.000 0.314 221 V C -0.995 175.206 176.094 0.178 0.000 1.084 221 V CA -0.743 61.625 62.300 0.114 0.000 0.963 221 V CB 1.515 33.416 31.823 0.131 0.000 1.025 221 V HN 0.894 nan 8.190 nan 0.000 0.432 222 A N 1.913 124.852 122.820 0.199 0.000 2.566 222 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 222 A C -0.889 176.801 177.584 0.177 0.000 1.112 222 A CA -0.659 51.511 52.037 0.221 0.000 0.707 222 A CB 2.005 21.154 19.000 0.248 0.000 1.302 222 A HN 1.070 nan 8.150 nan 0.000 0.409 223 E N 0.150 120.447 120.200 0.162 0.000 2.183 223 E HA 0.634 4.984 4.350 -0.000 0.000 0.271 223 E C -0.807 175.851 176.600 0.097 0.000 0.919 223 E CA -0.648 55.825 56.400 0.121 0.000 0.781 223 E CB 1.662 31.431 29.700 0.115 0.000 1.140 223 E HN 0.958 nan 8.360 nan 0.000 0.402 230 R N 0.668 121.171 120.500 0.004 0.000 2.297 230 R HA 0.605 4.945 4.340 -0.000 0.000 0.308 230 R C -0.836 175.470 176.300 0.010 0.000 1.029 230 R CA -0.309 55.799 56.100 0.013 0.000 0.929 230 R CB 1.192 31.504 30.300 0.021 0.000 1.046 230 R HN 0.239 nan 8.270 nan 0.000 0.461 231 V N 3.441 123.366 119.914 0.019 0.000 2.769 231 V HA 0.349 4.469 4.120 -0.000 0.000 0.312 231 V C -0.261 175.861 176.094 0.047 0.000 1.061 231 V CA -0.922 61.388 62.300 0.017 0.000 0.931 231 V CB 2.360 34.194 31.823 0.019 0.000 1.010 231 V HN 0.414 nan 8.190 nan 0.000 0.433 232 V N 2.454 122.396 119.914 0.047 0.000 2.394 232 V HA 0.430 4.549 4.120 -0.000 0.000 0.282 232 V C 0.316 176.536 176.094 0.210 0.000 1.031 232 V CA -0.118 62.251 62.300 0.114 0.000 0.881 232 V CB 1.662 33.541 31.823 0.094 0.000 0.982 232 V HN 0.968 nan 8.190 nan 0.000 0.451 233 T N 6.347 121.026 114.554 0.208 0.000 2.794 233 T HA 0.614 4.963 4.350 -0.000 0.000 0.280 233 T C -0.856 173.963 174.700 0.198 0.000 0.987 233 T CA -0.362 61.867 62.100 0.216 0.000 0.993 233 T CB 0.749 69.709 68.868 0.153 0.000 0.939 233 T HN 0.542 nan 8.240 nan 0.000 0.449 234 L N 5.948 127.248 121.223 0.129 0.000 2.313 234 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 234 L C -0.479 176.339 176.870 -0.087 0.000 1.013 234 L CA -0.696 54.112 54.840 -0.052 0.000 0.816 234 L CB 1.111 42.926 42.059 -0.407 0.000 1.236 234 L HN 0.542 nan 8.230 nan 0.000 0.419 235 N N 4.507 123.171 118.700 -0.061 0.000 2.479 235 N HA 0.594 5.333 4.740 -0.000 0.000 0.261 235 N C -1.309 174.132 175.510 -0.115 0.000 0.979 235 N CA -0.169 52.826 53.050 -0.091 0.000 0.930 235 N CB 1.896 40.356 38.487 -0.044 0.000 1.172 235 N HN 0.736 nan 8.380 nan 0.000 0.499 236 A N 3.158 125.879 122.820 -0.165 0.000 2.356 236 A HA 0.550 4.870 4.320 -0.000 0.000 0.323 236 A C 0.055 177.522 177.584 -0.195 0.000 1.119 236 A CA -0.837 51.088 52.037 -0.187 0.000 0.790 236 A CB 1.286 20.155 19.000 -0.217 0.000 1.273 236 A HN 0.746 nan 8.150 nan 0.000 0.452 237 R N 0.687 121.054 120.500 -0.222 0.000 2.490 237 R HA 0.462 4.802 4.340 -0.000 0.000 0.280 237 R C 0.055 176.185 176.300 -0.284 0.000 1.077 237 R CA 0.733 56.701 56.100 -0.219 0.000 1.065 237 R CB 0.468 30.616 30.300 -0.255 0.000 1.003 237 R HN 0.962 nan 8.270 nan 0.000 0.470 238 S N 1.697 117.243 115.700 -0.255 0.000 2.732 238 S HA 0.318 4.788 4.470 -0.000 0.000 0.293 238 S C -0.241 174.177 174.600 -0.303 0.000 1.159 238 S CA -0.961 57.060 58.200 -0.299 0.000 0.847 238 S CB 1.396 64.494 63.200 -0.170 0.000 1.169 238 S HN 0.776 nan 8.310 nan 0.000 0.501 239 H N 0.105 119.154 119.070 -0.035 0.000 2.505 239 H HA 0.512 5.068 4.556 -0.001 0.000 0.286 239 H C -0.022 175.305 175.328 -0.002 0.000 1.072 239 H CA -0.086 55.958 56.048 -0.008 0.000 1.141 239 H CB -0.243 29.515 29.762 -0.006 0.000 1.550 239 H HN 0.318 nan 8.280 nan 0.000 0.547 240 L N -0.414 120.844 121.223 0.058 0.000 2.687 240 L HA 0.412 4.752 4.340 -0.000 0.000 0.252 240 L C 1.491 178.379 176.870 0.031 0.000 1.115 240 L CA -0.807 54.054 54.840 0.035 0.000 0.893 240 L CB 1.055 43.113 42.059 -0.002 0.000 1.670 240 L HN -0.105 nan 8.230 nan 0.000 0.531 241 R N -0.277 120.234 120.500 0.018 0.000 2.317 241 R HA 0.379 4.719 4.340 -0.000 0.000 0.208 241 R C -0.322 175.971 176.300 -0.012 0.000 0.914 241 R CA -0.001 56.114 56.100 0.026 0.000 1.060 241 R CB 0.428 30.747 30.300 0.033 0.000 1.015 241 R HN 0.585 nan 8.270 nan 0.000 0.498 242 A N 0.599 123.388 122.820 -0.051 0.000 2.556 242 A HA 0.560 4.880 4.320 -0.000 0.000 0.294 242 A C -0.728 176.762 177.584 -0.158 0.000 1.091 242 A CA -0.961 51.009 52.037 -0.112 0.000 0.704 242 A CB 1.296 20.235 19.000 -0.101 0.000 1.300 242 A HN -0.030 nan 8.150 nan 0.000 0.406 243 R N -0.053 120.298 120.500 -0.249 0.000 2.679 243 R HA 0.425 4.764 4.340 -0.000 0.000 0.269 243 R C -0.608 175.561 176.300 -0.219 0.000 1.076 243 R CA -0.239 55.694 56.100 -0.277 0.000 1.160 243 R CB 0.569 30.607 30.300 -0.437 0.000 1.054 243 R HN 0.427 nan 8.270 nan 0.000 0.507 244 V N 2.210 122.005 119.914 -0.198 0.000 2.435 244 V HA 0.292 4.412 4.120 -0.000 0.000 0.290 244 V C 0.165 176.162 176.094 -0.161 0.000 1.030 244 V CA -0.524 61.681 62.300 -0.158 0.000 0.881 244 V CB 1.538 33.273 31.823 -0.146 0.000 0.983 244 V HN 0.613 nan 8.190 nan 0.000 0.445 245 Q N 2.940 122.668 119.800 -0.121 0.000 2.397 245 Q HA 0.850 5.189 4.340 -0.000 0.000 0.275 245 Q C -1.255 174.714 176.000 -0.052 0.000 1.090 245 Q CA -0.624 55.127 55.803 -0.087 0.000 0.809 245 Q CB 2.515 31.228 28.738 -0.042 0.000 1.362 245 Q HN 0.915 nan 8.270 nan 0.000 0.431 246 A N 2.413 125.213 122.820 -0.033 0.000 2.594 246 A HA 0.556 4.876 4.320 -0.000 0.000 0.295 246 A C -1.863 175.883 177.584 0.270 0.000 1.071 246 A CA -0.750 51.325 52.037 0.064 0.000 0.685 246 A CB 1.979 20.951 19.000 -0.046 0.000 1.285 246 A HN 0.755 nan 8.150 nan 0.000 0.405 247 Q N 0.148 120.159 119.800 0.351 0.000 2.377 247 Q HA 0.814 5.154 4.340 -0.000 0.000 0.271 247 Q C -0.752 175.357 176.000 0.182 0.000 1.077 247 Q CA -0.698 55.295 55.803 0.316 0.000 0.820 247 Q CB 2.098 30.918 28.738 0.136 0.000 1.347 247 Q HN 0.728 nan 8.270 nan 0.000 0.444 248 S N 0.272 115.906 115.700 -0.109 0.000 2.521 248 S HA 0.405 4.874 4.470 -0.000 0.000 0.295 248 S C 0.114 174.593 174.600 -0.203 0.000 1.098 248 S CA -0.154 57.794 58.200 -0.421 0.000 0.999 248 S CB 1.545 64.078 63.200 -1.112 0.000 1.034 248 S HN 0.752 nan 8.310 nan 0.000 0.483 249 T N 0.521 114.982 114.554 -0.155 0.000 3.069 249 T HA 0.166 4.516 4.350 -0.000 0.000 0.252 249 T C 0.405 175.054 174.700 -0.084 0.000 1.053 249 T CA -0.164 61.883 62.100 -0.088 0.000 0.964 249 T CB -0.518 68.315 68.868 -0.058 0.000 1.005 249 T HN 0.620 nan 8.240 nan 0.000 0.532 250 N N 1.075 119.701 118.700 -0.122 0.000 2.599 250 N HA 0.160 4.900 4.740 -0.000 0.000 0.309 250 N C -0.888 174.584 175.510 -0.064 0.000 1.743 250 N CA -0.454 52.552 53.050 -0.074 0.000 0.918 250 N CB -0.087 38.364 38.487 -0.061 0.000 1.339 250 N HN 0.021 nan 8.380 nan 0.000 0.493 251 D N -0.244 120.119 120.400 -0.062 0.000 3.012 251 D HA -0.156 4.483 4.640 -0.000 0.000 0.222 251 D C 1.032 177.288 176.300 -0.073 0.000 1.167 251 D CA 1.837 55.821 54.000 -0.027 0.000 0.854 251 D CB -1.461 39.378 40.800 0.065 0.000 1.107 251 D HN 0.805 nan 8.370 nan 0.000 0.421 252 G N -1.163 107.491 108.800 -0.244 0.000 2.176 252 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.232 252 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.232 252 G C 1.072 175.876 174.900 -0.160 0.000 0.986 252 G CA 0.340 45.254 45.100 -0.310 0.000 0.643 252 G HN 0.456 nan 8.290 nan 0.000 0.522 253 L N -0.066 121.095 121.223 -0.103 0.000 2.109 253 L HA 0.205 4.545 4.340 -0.000 0.000 0.207 253 L C 0.506 177.444 176.870 0.114 0.000 1.086 253 L CA 1.327 56.196 54.840 0.049 0.000 0.760 253 L CB -0.093 42.005 42.059 0.065 0.000 0.910 253 L HN 0.217 nan 8.230 nan 0.000 0.437 254 D N -1.495 118.838 120.400 -0.112 0.000 2.896 254 D HA 0.360 5.000 4.640 -0.000 0.000 0.241 254 D C -1.248 174.893 176.300 -0.265 0.000 1.188 254 D CA -0.340 53.595 54.000 -0.109 0.000 0.879 254 D CB 2.385 43.086 40.800 -0.165 0.000 1.553 254 D HN -0.231 nan 8.370 nan 0.000 0.515 255 F N 1.241 121.201 119.950 0.016 0.000 2.450 255 F HA 0.251 4.777 4.527 -0.001 0.000 0.332 255 F C 1.245 177.046 175.800 0.003 0.000 1.093 255 F CA -0.629 57.381 58.000 0.017 0.000 1.003 255 F CB 1.553 40.573 39.000 0.033 0.000 1.151 255 F HN 0.038 nan 8.300 nan 0.000 0.474 256 Q N 0.565 120.464 119.800 0.165 0.000 2.631 256 Q HA 0.061 4.401 4.340 -0.000 0.000 0.210 256 Q C -0.051 176.015 176.000 0.111 0.000 1.094 256 Q CA -0.420 55.440 55.803 0.094 0.000 1.055 256 Q CB 0.308 29.084 28.738 0.063 0.000 1.261 256 Q HN 0.563 nan 8.270 nan 0.000 0.615 257 E N 0.256 120.494 120.200 0.064 0.000 2.529 257 E HA -0.048 4.302 4.350 -0.000 0.000 0.259 257 E C -0.854 175.773 176.600 0.045 0.000 0.966 257 E CA -0.173 56.255 56.400 0.048 0.000 0.937 257 E CB 0.531 30.247 29.700 0.026 0.000 0.923 257 E HN 0.352 nan 8.360 nan 0.000 0.468 258 S N 3.316 119.033 115.700 0.028 0.000 2.579 258 S HA 0.103 4.573 4.470 -0.000 0.000 0.275 258 S C -0.335 174.259 174.600 -0.011 0.000 1.345 258 S CA -0.556 57.643 58.200 -0.002 0.000 1.031 258 S CB 0.933 64.115 63.200 -0.031 0.000 0.892 258 S HN 0.416 nan 8.310 nan 0.000 0.529 259 Q N 1.072 120.858 119.800 -0.023 0.000 2.413 259 Q HA 0.467 4.807 4.340 -0.000 0.000 0.276 259 Q C -0.961 175.009 176.000 -0.049 0.000 1.099 259 Q CA -0.591 55.197 55.803 -0.025 0.000 0.814 259 Q CB 2.004 30.736 28.738 -0.010 0.000 1.379 259 Q HN 0.553 nan 8.270 nan 0.000 0.436 260 L N 1.263 122.457 121.223 -0.048 0.000 2.292 260 L HA 0.353 4.693 4.340 -0.000 0.000 0.284 260 L C -0.289 176.537 176.870 -0.074 0.000 1.065 260 L CA -0.728 54.071 54.840 -0.069 0.000 0.806 260 L CB 1.192 43.219 42.059 -0.054 0.000 1.175 260 L HN 0.290 nan 8.230 nan 0.000 0.431 261 V N 4.717 124.557 119.914 -0.122 0.000 2.218 261 V HA 0.119 4.239 4.120 -0.000 0.000 0.261 261 V C 1.031 177.032 176.094 -0.156 0.000 1.142 261 V CA -0.497 61.721 62.300 -0.138 0.000 0.965 261 V CB 0.413 32.087 31.823 -0.249 0.000 1.190 261 V HN 0.753 nan 8.190 nan 0.000 0.478 262 K N 1.940 122.289 120.400 -0.084 0.000 2.160 262 K HA -0.173 4.146 4.320 -0.000 0.000 0.206 262 K C 1.691 178.252 176.600 -0.065 0.000 1.047 262 K CA 1.365 57.613 56.287 -0.065 0.000 0.930 262 K CB 0.010 32.493 32.500 -0.028 0.000 0.720 262 K HN 0.498 nan 8.250 nan 0.000 0.450 263 K N 0.537 120.901 120.400 -0.059 0.000 2.439 263 K HA 0.003 4.323 4.320 -0.000 0.000 0.197 263 K C 0.206 176.744 176.600 -0.104 0.000 1.041 263 K CA 0.519 56.796 56.287 -0.017 0.000 0.970 263 K CB 0.072 32.616 32.500 0.073 0.000 0.773 263 K HN 0.127 nan 8.250 nan 0.000 0.479 264 L N 1.844 122.876 121.223 -0.317 0.000 2.313 264 L HA 0.239 4.579 4.340 -0.000 0.000 0.273 264 L C -0.220 176.445 176.870 -0.342 0.000 1.028 264 L CA -0.712 53.801 54.840 -0.545 0.000 0.871 264 L CB 1.484 42.918 42.059 -1.042 0.000 1.242 264 L HN -0.179 nan 8.230 nan 0.000 0.434 265 V N 2.881 122.703 119.914 -0.152 0.000 2.872 265 V HA 0.080 4.200 4.120 -0.000 0.000 0.307 265 V C -0.036 175.989 176.094 -0.113 0.000 1.072 265 V CA 0.322 62.582 62.300 -0.067 0.000 1.148 265 V CB 1.687 33.545 31.823 0.059 0.000 0.954 265 V HN 0.804 nan 8.190 nan 0.000 0.490 266 E N 7.461 127.649 120.200 -0.021 0.000 2.246 266 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 266 E C -2.788 173.897 176.600 0.141 0.000 0.880 266 E CA -2.333 54.100 56.400 0.054 0.000 0.762 266 E CB 2.298 31.984 29.700 -0.024 0.000 1.180 266 E HN 0.481 nan 8.360 nan 0.000 0.416 267 P HA 0.229 nan 4.420 nan 0.000 0.284 267 P C -2.605 174.812 177.300 0.196 0.000 1.343 267 P CA -1.455 61.775 63.100 0.217 0.000 0.826 267 P CB 0.582 32.401 31.700 0.198 0.000 0.956 268 P HA 0.177 nan 4.420 nan 0.000 0.274 268 P C -1.779 175.623 177.300 0.169 0.000 1.246 268 P CA -1.459 61.737 63.100 0.160 0.000 0.795 268 P CB 0.200 31.973 31.700 0.122 0.000 1.006 269 P HA 0.026 nan 4.420 nan 0.000 0.257 269 P C 0.837 178.253 177.300 0.194 0.000 1.241 269 P CA 0.714 63.886 63.100 0.119 0.000 0.816 269 P CB 0.415 32.146 31.700 0.052 0.000 1.150 270 Q N -0.421 119.499 119.800 0.200 0.000 2.339 270 Q HA 0.356 4.695 4.340 -0.000 0.000 0.205 270 Q C 1.198 177.332 176.000 0.223 0.000 0.925 270 Q CA 0.616 56.578 55.803 0.266 0.000 0.898 270 Q CB -0.759 28.087 28.738 0.178 0.000 1.013 270 Q HN 0.128 nan 8.270 nan 0.000 0.504 271 G N -0.151 108.746 108.800 0.162 0.000 2.796 271 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 271 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 271 G C -0.588 174.371 174.900 0.099 0.000 1.381 271 G CA -0.514 44.652 45.100 0.110 0.000 0.867 271 G HN 0.754 nan 8.290 nan 0.000 0.552 272 C N -0.363 118.985 119.300 0.081 0.000 3.082 272 C HA 0.677 5.136 4.460 -0.000 0.000 0.324 272 C C 0.187 175.073 174.990 -0.174 0.000 1.210 272 C CA -0.176 58.819 59.018 -0.037 0.000 1.366 272 C CB 1.465 29.108 27.740 -0.160 0.000 1.756 272 C HN 1.171 nan 8.230 nan 0.000 0.485 273 Q N 2.094 121.576 119.800 -0.529 0.000 2.392 273 Q HA 0.511 4.851 4.340 -0.000 0.000 0.262 273 Q C -0.015 175.793 176.000 -0.320 0.000 1.003 273 Q CA 0.719 56.150 55.803 -0.620 0.000 0.888 273 Q CB 1.348 29.243 28.738 -1.404 0.000 1.260 273 Q HN 1.070 nan 8.270 nan 0.000 0.435 274 G N 0.934 109.669 108.800 -0.107 0.000 2.680 274 G HA2 0.484 4.444 3.960 -0.000 0.000 0.290 274 G HA3 0.484 4.444 3.960 -0.000 0.000 0.290 274 G C -1.647 173.233 174.900 -0.033 0.000 1.355 274 G CA -0.417 44.654 45.100 -0.048 0.000 0.903 274 G HN 0.535 nan 8.290 nan 0.000 0.474 275 S N -1.384 114.272 115.700 -0.072 0.000 2.536 275 S HA 0.753 5.223 4.470 -0.000 0.000 0.298 275 S C -1.239 173.499 174.600 0.230 0.000 1.083 275 S CA -0.646 57.624 58.200 0.117 0.000 0.995 275 S CB 1.775 65.080 63.200 0.175 0.000 1.058 275 S HN 1.272 nan 8.310 nan 0.000 0.488 276 V N 6.018 126.147 119.914 0.358 0.000 2.841 276 V HA 0.812 4.931 4.120 -0.000 0.000 0.310 276 V C -1.225 175.136 176.094 0.445 0.000 1.090 276 V CA -0.749 61.806 62.300 0.425 0.000 0.930 276 V CB 1.644 33.712 31.823 0.408 0.000 1.014 276 V HN 0.934 nan 8.190 nan 0.000 0.425 277 I N 2.938 123.753 120.570 0.408 0.000 2.994 277 I HA 0.885 5.054 4.170 -0.000 0.000 0.306 277 I C -0.422 175.931 176.117 0.393 0.000 1.195 277 I CA -0.607 60.921 61.300 0.380 0.000 1.001 277 I CB 2.339 40.508 38.000 0.282 0.000 1.244 277 I HN 0.652 nan 8.210 nan 0.000 0.437 278 S N 2.455 118.366 115.700 0.352 0.000 2.681 278 S HA 0.915 5.385 4.470 -0.000 0.000 0.299 278 S C -0.738 174.111 174.600 0.414 0.000 1.113 278 S CA -0.515 57.860 58.200 0.292 0.000 1.013 278 S CB 1.691 65.000 63.200 0.181 0.000 1.076 278 S HN 0.962 nan 8.310 nan 0.000 0.534 279 F N -2.933 117.144 119.950 0.211 0.000 2.678 279 F HA 0.730 5.257 4.527 -0.001 0.000 0.308 279 F C -3.532 172.321 175.800 0.089 0.000 1.118 279 F CA -2.485 55.621 58.000 0.176 0.000 0.959 279 F CB 0.293 39.464 39.000 0.285 0.000 1.305 279 F HN 0.337 nan 8.300 nan 0.000 0.443 280 P HA 0.036 nan 4.420 nan 0.000 0.262 280 P C -0.197 176.962 177.300 -0.236 0.000 1.182 280 P CA 0.325 63.401 63.100 -0.040 0.000 0.761 280 P CB 0.855 32.570 31.700 0.026 0.000 0.795 281 S N 5.031 120.456 115.700 -0.458 0.000 2.552 281 S HA 0.079 4.549 4.470 -0.000 0.000 0.289 281 S C -1.120 173.092 174.600 -0.647 0.000 1.304 281 S CA -0.927 56.709 58.200 -0.941 0.000 1.063 281 S CB -0.281 62.496 63.200 -0.705 0.000 0.848 281 S HN 0.355 nan 8.310 nan 0.000 0.499 282 P HA 0.134 nan 4.420 nan 0.000 0.253 282 P C -0.139 176.963 177.300 -0.329 0.000 1.281 282 P CA 0.194 63.048 63.100 -0.410 0.000 0.792 282 P CB 0.120 31.619 31.700 -0.334 0.000 1.193 291 Q N -1.172 118.619 119.800 -0.014 0.000 2.458 291 Q HA 0.707 5.047 4.340 -0.000 0.000 0.282 291 Q C -1.571 174.456 176.000 0.044 0.000 1.106 291 Q CA -0.167 55.593 55.803 -0.072 0.000 0.814 291 Q CB 1.573 30.289 28.738 -0.036 0.000 1.425 291 Q HN 0.659 nan 8.270 nan 0.000 0.437 292 W N 0.522 121.465 121.300 -0.595 0.000 2.850 292 W HA 0.699 5.359 4.660 0.001 0.000 0.349 292 W C -0.993 175.188 176.519 -0.564 0.000 1.133 292 W CA -0.810 56.145 57.345 -0.651 0.000 1.117 292 W CB 0.782 29.718 29.460 -0.872 0.000 1.442 292 W HN 0.428 nan 8.180 nan 0.000 0.575 293 L N 2.365 123.527 121.223 -0.101 0.000 2.342 293 L HA 0.607 4.947 4.340 -0.000 0.000 0.271 293 L C -0.962 176.142 176.870 0.390 0.000 1.008 293 L CA -1.241 53.677 54.840 0.130 0.000 0.818 293 L CB 1.661 43.738 42.059 0.029 0.000 1.296 293 L HN 0.102 nan 8.230 nan 0.000 0.427 294 L N 2.814 124.366 121.223 0.548 0.000 2.365 294 L HA 0.565 4.904 4.340 -0.000 0.000 0.273 294 L C -1.446 175.740 176.870 0.526 0.000 1.000 294 L CA -0.269 54.858 54.840 0.478 0.000 0.819 294 L CB 1.731 43.846 42.059 0.095 0.000 1.284 294 L HN 0.463 nan 8.230 nan 0.000 0.418 295 Y N 2.908 123.437 120.300 0.383 0.000 2.504 295 Y HA 0.741 5.291 4.550 -0.000 0.000 0.344 295 Y C -1.054 174.982 175.900 0.226 0.000 1.023 295 Y CA -0.385 57.843 58.100 0.214 0.000 1.020 295 Y CB 2.050 40.467 38.460 -0.070 0.000 1.282 295 Y HN 0.755 nan 8.280 nan 0.000 0.454 296 T N 3.311 117.607 114.554 -0.431 0.000 2.876 296 T HA 0.608 4.958 4.350 -0.000 0.000 0.289 296 T C -1.444 172.916 174.700 -0.566 0.000 1.014 296 T CA -0.533 61.370 62.100 -0.327 0.000 0.986 296 T CB 1.856 70.675 68.868 -0.081 0.000 1.021 296 T HN 0.969 nan 8.240 nan 0.000 0.458 297 H N 0.956 119.784 119.070 -0.403 0.000 2.984 297 H HA 0.297 4.853 4.556 -0.000 0.000 0.298 297 H C -3.420 171.873 175.328 -0.059 0.000 1.378 297 H CA -0.969 54.907 56.048 -0.286 0.000 1.241 297 H CB 1.501 31.003 29.762 -0.432 0.000 1.894 297 H HN 0.425 nan 8.280 nan 0.000 0.511 298 P HA 0.049 nan 4.420 nan 0.000 0.268 298 P C 0.551 178.021 177.300 0.283 0.000 1.208 298 P CA 0.782 63.889 63.100 0.012 0.000 0.777 298 P CB 0.685 32.310 31.700 -0.124 0.000 0.875 299 T N -3.012 111.642 114.554 0.166 0.000 3.044 299 T HA 0.040 4.389 4.350 -0.000 0.000 0.260 299 T C 0.651 175.426 174.700 0.126 0.000 1.019 299 T CA 0.178 62.385 62.100 0.179 0.000 0.921 299 T CB -0.479 68.422 68.868 0.056 0.000 1.053 299 T HN 0.353 nan 8.240 nan 0.000 0.533 300 H N 2.500 121.575 119.070 0.009 0.000 2.764 300 H HA 0.251 4.807 4.556 0.000 0.000 0.341 300 H C 1.476 176.808 175.328 0.007 0.000 1.072 300 H CA 0.750 56.765 56.048 -0.054 0.000 1.444 300 H CB 1.738 31.390 29.762 -0.183 0.000 1.458 300 H HN 0.351 nan 8.280 nan 0.000 0.572 301 S N 4.353 120.050 115.700 -0.005 0.000 2.447 301 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 301 S C 1.240 176.102 174.600 0.437 0.000 1.006 301 S CA 0.878 59.204 58.200 0.210 0.000 0.957 301 S CB -0.081 63.234 63.200 0.193 0.000 0.773 301 S HN 0.847 nan 8.310 nan 0.000 0.507 302 W N -0.068 121.476 121.300 0.408 0.000 1.497 302 W HA 0.504 5.164 4.660 -0.001 0.000 0.221 302 W C -0.522 176.069 176.519 0.119 0.000 0.795 302 W CA -0.664 56.818 57.345 0.228 0.000 1.057 302 W CB -0.529 29.030 29.460 0.165 0.000 0.935 302 W HN 0.220 nan 8.180 nan 0.000 0.468 303 Q N 1.216 120.841 119.800 -0.293 0.000 2.451 303 Q HA 0.488 4.828 4.340 -0.000 0.000 0.281 303 Q C -0.450 175.394 176.000 -0.260 0.000 1.099 303 Q CA -1.062 54.429 55.803 -0.520 0.000 0.806 303 Q CB 2.618 30.624 28.738 -1.220 0.000 1.419 303 Q HN -0.101 nan 8.270 nan 0.000 0.427 304 R N 0.792 121.179 120.500 -0.189 0.000 2.891 304 R HA 0.524 4.864 4.340 -0.000 0.000 0.248 304 R C -0.902 175.297 176.300 -0.167 0.000 1.439 304 R CA -0.025 56.002 56.100 -0.122 0.000 1.288 304 R CB 0.151 30.418 30.300 -0.055 0.000 1.212 304 R HN 0.485 nan 8.270 nan 0.000 0.605 305 A N 1.470 124.201 122.820 -0.148 0.000 2.587 305 A HA 0.418 4.737 4.320 -0.000 0.000 0.293 305 A C -1.195 176.356 177.584 -0.055 0.000 1.087 305 A CA -0.886 51.074 52.037 -0.128 0.000 0.692 305 A CB 1.159 20.035 19.000 -0.206 0.000 1.291 305 A HN 0.606 nan 8.150 nan 0.000 0.407 306 D N -0.138 120.221 120.400 -0.068 0.000 3.133 306 D HA -0.139 4.501 4.640 -0.000 0.000 0.239 306 D C -0.313 175.928 176.300 -0.098 0.000 1.136 306 D CA 0.852 54.807 54.000 -0.074 0.000 0.898 306 D CB -1.041 39.736 40.800 -0.037 0.000 0.959 306 D HN 0.679 nan 8.370 nan 0.000 0.415 307 L N 0.789 121.912 121.223 -0.167 0.000 2.540 307 L HA 0.373 4.713 4.340 -0.000 0.000 0.276 307 L C 1.043 177.791 176.870 -0.204 0.000 1.212 307 L CA 1.058 55.771 54.840 -0.212 0.000 0.893 307 L CB 0.702 42.507 42.059 -0.424 0.000 1.138 307 L HN 0.330 nan 8.230 nan 0.000 0.491 308 G N 3.531 112.258 108.800 -0.121 0.000 2.533 308 G HA2 0.774 4.734 3.960 -0.000 0.000 0.304 308 G HA3 0.774 4.734 3.960 -0.000 0.000 0.304 308 G C -1.695 173.151 174.900 -0.091 0.000 1.263 308 G CA -0.311 44.677 45.100 -0.186 0.000 0.964 308 G HN 0.952 nan 8.290 nan 0.000 0.479 309 A N 0.310 123.046 122.820 -0.140 0.000 2.318 309 A HA 0.821 5.141 4.320 -0.000 0.000 0.324 309 A C -1.385 176.380 177.584 0.302 0.000 1.170 309 A CA -0.584 51.524 52.037 0.119 0.000 0.810 309 A CB 0.668 19.679 19.000 0.019 0.000 1.198 309 A HN 0.631 nan 8.150 nan 0.000 0.484 310 Y N 0.944 121.503 120.300 0.432 0.000 2.485 310 Y HA 0.626 5.175 4.550 -0.001 0.000 0.345 310 Y C -0.302 175.937 175.900 0.565 0.000 0.998 310 Y CA -0.986 57.432 58.100 0.531 0.000 1.059 310 Y CB 2.182 40.907 38.460 0.441 0.000 1.234 310 Y HN 0.628 nan 8.280 nan 0.000 0.461 311 L N 3.121 124.618 121.223 0.456 0.000 2.362 311 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 311 L C -1.175 175.591 176.870 -0.173 0.000 1.002 311 L CA -0.517 54.338 54.840 0.026 0.000 0.818 311 L CB 1.617 43.269 42.059 -0.678 0.000 1.298 311 L HN 0.666 nan 8.230 nan 0.000 0.420 312 N N 5.337 123.699 118.700 -0.563 0.000 2.573 312 N HA 0.425 5.165 4.740 -0.000 0.000 0.262 312 N C -2.362 172.613 175.510 -0.891 0.000 1.029 312 N CA -1.713 50.746 53.050 -0.985 0.000 0.882 312 N CB 2.287 39.675 38.487 -1.830 0.000 1.204 312 N HN 0.417 nan 8.380 nan 0.000 0.519 313 P HA 0.112 nan 4.420 nan 0.000 0.245 313 P C -0.263 176.490 177.300 -0.911 0.000 1.206 313 P CA 0.346 62.434 63.100 -1.687 0.000 0.781 313 P CB 0.598 31.316 31.700 -1.637 0.000 0.994 314 R N 0.437 120.578 120.500 -0.598 0.000 2.701 314 R HA 0.301 4.640 4.340 -0.000 0.000 0.281 314 R C -2.492 173.612 176.300 -0.326 0.000 1.367 314 R CA -1.668 54.223 56.100 -0.348 0.000 1.510 314 R CB 0.515 30.654 30.300 -0.268 0.000 1.306 314 R HN 0.183 nan 8.270 nan 0.000 0.682 315 P HA 0.117 nan 4.420 nan 0.000 0.269 315 P C -2.155 175.054 177.300 -0.152 0.000 1.215 315 P CA -0.959 61.969 63.100 -0.288 0.000 0.780 315 P CB 1.163 32.717 31.700 -0.244 0.000 0.898 316 P HA 0.221 nan 4.420 nan 0.000 0.263 316 P C 0.092 177.322 177.300 -0.117 0.000 1.448 316 P CA -0.336 62.699 63.100 -0.108 0.000 0.983 316 P CB -0.080 31.622 31.700 0.002 0.000 1.481 317 A N 2.057 124.785 122.820 -0.154 0.000 2.572 317 A HA 0.028 4.347 4.320 -0.000 0.000 0.256 317 A C -1.114 176.406 177.584 -0.107 0.000 1.041 317 A CA -0.261 51.705 52.037 -0.119 0.000 0.790 317 A CB -0.409 18.509 19.000 -0.137 0.000 0.947 317 A HN 0.126 nan 8.150 nan 0.000 0.518 318 P HA -0.153 nan 4.420 nan 0.000 0.218 318 P C 0.756 178.141 177.300 0.141 0.000 1.148 318 P CA 1.567 64.759 63.100 0.153 0.000 0.822 318 P CB 0.172 31.920 31.700 0.079 0.000 0.784 319 E N -0.354 119.862 120.200 0.027 0.000 2.347 319 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 319 E C 1.822 178.408 176.600 -0.023 0.000 1.008 319 E CA 0.953 57.361 56.400 0.012 0.000 0.852 319 E CB -1.022 28.670 29.700 -0.015 0.000 0.783 319 E HN 0.183 nan 8.360 nan 0.000 0.505 320 A N 0.216 122.965 122.820 -0.119 0.000 2.238 320 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 320 A C -0.087 177.351 177.584 -0.244 0.000 1.177 320 A CA -0.366 51.539 52.037 -0.220 0.000 0.804 320 A CB -0.516 18.282 19.000 -0.337 0.000 0.823 320 A HN 0.225 nan 8.150 nan 0.000 0.482 321 W N 1.739 122.978 121.300 -0.102 0.000 2.210 321 W HA 0.308 4.967 4.660 -0.002 0.000 0.330 321 W C 1.174 177.690 176.519 -0.004 0.000 1.334 321 W CA 0.517 57.823 57.345 -0.066 0.000 1.227 321 W CB 0.667 30.078 29.460 -0.081 0.000 1.178 321 W HN 0.319 nan 8.180 nan 0.000 0.560 322 S N 1.900 117.784 115.700 0.307 0.000 2.655 322 S HA 0.310 4.779 4.470 -0.000 0.000 0.265 322 S C -0.041 174.739 174.600 0.300 0.000 1.240 322 S CA -0.885 57.448 58.200 0.223 0.000 0.986 322 S CB 0.804 64.101 63.200 0.161 0.000 0.985 322 S HN 0.555 nan 8.310 nan 0.000 0.562 323 E N 2.003 122.317 120.200 0.189 0.000 2.366 323 E HA 0.295 4.645 4.350 -0.000 0.000 0.266 323 E C -2.088 174.523 176.600 0.019 0.000 1.051 323 E CA -1.850 54.614 56.400 0.107 0.000 0.884 323 E CB 0.353 30.088 29.700 0.059 0.000 1.006 323 E HN 0.537 nan 8.360 nan 0.000 0.417 324 P HA 0.037 nan 4.420 nan 0.000 0.277 324 P C -0.672 176.444 177.300 -0.308 0.000 1.240 324 P CA -0.321 62.428 63.100 -0.584 0.000 0.798 324 P CB 0.901 31.855 31.700 -1.244 0.000 0.979 325 V N 0.482 120.199 119.914 -0.327 0.000 2.483 325 V HA 0.394 4.513 4.120 -0.000 0.000 0.295 325 V C -0.033 175.855 176.094 -0.343 0.000 1.035 325 V CA -1.292 60.791 62.300 -0.362 0.000 0.896 325 V CB 1.157 32.621 31.823 -0.600 0.000 0.986 325 V HN 0.347 nan 8.190 nan 0.000 0.447 326 L N 4.774 125.829 121.223 -0.279 0.000 2.433 326 L HA 0.344 4.683 4.340 -0.000 0.000 0.275 326 L C 0.720 177.417 176.870 -0.288 0.000 1.128 326 L CA 0.548 55.239 54.840 -0.249 0.000 0.875 326 L CB 0.344 42.293 42.059 -0.182 0.000 1.171 326 L HN 0.805 nan 8.230 nan 0.000 0.463 327 L N 4.907 125.939 121.223 -0.319 0.000 2.298 327 L HA 0.393 4.732 4.340 -0.000 0.000 0.209 327 L C 0.632 177.334 176.870 -0.281 0.000 1.084 327 L CA 0.518 55.139 54.840 -0.365 0.000 0.816 327 L CB -0.179 41.618 42.059 -0.436 0.000 0.967 327 L HN 0.785 nan 8.230 nan 0.000 0.460 328 A N 0.553 123.215 122.820 -0.263 0.000 2.513 328 A HA 0.460 4.780 4.320 -0.000 0.000 0.296 328 A C -0.924 176.583 177.584 -0.129 0.000 1.052 328 A CA -0.763 51.170 52.037 -0.172 0.000 0.714 328 A CB 1.093 19.979 19.000 -0.191 0.000 1.279 328 A HN 0.118 nan 8.150 nan 0.000 0.397 329 K N 1.814 122.168 120.400 -0.077 0.000 2.118 329 K HA 0.790 5.110 4.320 -0.000 0.000 0.264 329 K C 0.516 177.090 176.600 -0.044 0.000 1.000 329 K CA 0.189 56.439 56.287 -0.062 0.000 0.929 329 K CB 1.274 33.744 32.500 -0.051 0.000 1.021 329 K HN 2.391 nan 8.250 nan 0.000 0.463 330 G N 0.449 109.219 108.800 -0.050 0.000 2.627 330 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.214 330 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.214 330 G C -0.636 174.220 174.900 -0.073 0.000 1.331 330 G CA -0.298 44.769 45.100 -0.055 0.000 0.891 330 G HN 0.818 nan 8.290 nan 0.000 0.539 331 S N -0.540 115.109 115.700 -0.085 0.000 2.546 331 S HA 0.423 4.893 4.470 -0.000 0.000 0.290 331 S C 0.579 175.127 174.600 -0.087 0.000 1.262 331 S CA 0.986 59.113 58.200 -0.122 0.000 1.083 331 S CB -1.503 61.610 63.200 -0.145 0.000 0.859 331 S HN 2.210 nan 8.310 nan 0.000 0.495 332 C N 3.447 122.686 119.300 -0.102 0.000 2.985 332 C HA 0.944 5.404 4.460 -0.000 0.000 0.332 332 C C 0.357 175.314 174.990 -0.055 0.000 1.164 332 C CA -0.166 58.841 59.018 -0.019 0.000 1.347 332 C CB 0.785 28.508 27.740 -0.028 0.000 1.764 332 C HN 1.016 nan 8.230 nan 0.000 0.489 333 A N 1.202 124.041 122.820 0.032 0.000 2.970 333 A HA 0.805 5.125 4.320 -0.000 0.000 0.197 333 A C -0.660 177.071 177.584 0.245 0.000 1.411 333 A CA -0.211 51.901 52.037 0.124 0.000 1.518 333 A CB -0.523 18.608 19.000 0.218 0.000 1.658 333 A HN 0.891 nan 8.150 nan 0.000 0.539 334 Y N 1.523 121.874 120.300 0.085 0.000 2.550 334 Y HA 0.402 4.952 4.550 -0.000 0.000 0.343 334 Y C 1.169 177.146 175.900 0.128 0.000 1.245 334 Y CA 0.170 58.320 58.100 0.084 0.000 1.462 334 Y CB 0.383 38.913 38.460 0.116 0.000 1.340 334 Y HN 0.659 nan 8.280 nan 0.000 0.604 335 S N 0.554 116.395 115.700 0.236 0.000 2.607 335 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 335 S C -1.811 172.927 174.600 0.229 0.000 1.148 335 S CA -0.964 57.382 58.200 0.242 0.000 0.833 335 S CB 3.000 66.296 63.200 0.159 0.000 1.130 335 S HN 0.483 nan 8.310 nan 0.000 0.470 336 D N -0.147 120.420 120.400 0.278 0.000 2.947 336 D HA 0.586 5.226 4.640 -0.000 0.000 0.224 336 D C -1.356 175.127 176.300 0.304 0.000 1.230 336 D CA -0.335 53.856 54.000 0.319 0.000 0.871 336 D CB 1.573 42.595 40.800 0.369 0.000 1.671 336 D HN 0.657 nan 8.370 nan 0.000 0.507 337 L N 2.193 123.580 121.223 0.273 0.000 2.322 337 L HA 0.670 5.010 4.340 -0.000 0.000 0.269 337 L C -0.346 176.552 176.870 0.046 0.000 1.012 337 L CA -0.781 54.164 54.840 0.175 0.000 0.815 337 L CB 1.772 43.922 42.059 0.151 0.000 1.295 337 L HN 0.250 nan 8.230 nan 0.000 0.438 338 Q N 0.920 120.777 119.800 0.094 0.000 2.320 338 Q HA 0.297 4.637 4.340 -0.000 0.000 0.272 338 Q C -1.153 174.891 176.000 0.073 0.000 1.023 338 Q CA -0.562 55.278 55.803 0.062 0.000 0.855 338 Q CB 2.492 31.320 28.738 0.150 0.000 1.367 338 Q HN 0.746 nan 8.270 nan 0.000 0.406 339 S N 1.096 116.828 115.700 0.054 0.000 2.565 339 S HA 0.592 5.062 4.470 -0.000 0.000 0.274 339 S C 0.527 174.856 174.600 -0.451 0.000 1.309 339 S CA -0.469 57.676 58.200 -0.091 0.000 1.043 339 S CB 0.702 63.916 63.200 0.023 0.000 0.939 339 S HN 0.660 nan 8.310 nan 0.000 0.504 340 M N 2.465 121.620 119.600 -0.742 0.000 2.809 340 M HA 0.362 4.841 4.480 -0.000 0.000 0.388 340 M C 0.929 176.706 176.300 -0.872 0.000 1.248 340 M CA 0.010 54.515 55.300 -1.325 0.000 0.885 340 M CB 0.238 32.194 32.600 -1.074 0.000 1.386 340 M HN 1.186 nan 8.290 nan 0.000 0.509 341 G N 0.742 109.234 108.800 -0.514 0.000 2.512 341 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.240 341 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.240 341 G C -0.424 174.276 174.900 -0.332 0.000 1.246 341 G CA -0.559 44.370 45.100 -0.286 0.000 0.919 341 G HN 0.289 nan 8.290 nan 0.000 0.577 342 T N 1.394 115.810 114.554 -0.231 0.000 2.799 342 T HA 0.626 4.976 4.350 -0.000 0.000 0.286 342 T C 0.956 175.526 174.700 -0.216 0.000 0.973 342 T CA 0.566 62.540 62.100 -0.210 0.000 1.035 342 T CB 1.378 70.180 68.868 -0.109 0.000 0.932 342 T HN 1.424 nan 8.240 nan 0.000 0.469 343 G N 2.549 111.208 108.800 -0.235 0.000 2.562 343 G HA2 0.378 4.337 3.960 -0.000 0.000 0.275 343 G HA3 0.378 4.337 3.960 -0.000 0.000 0.275 343 G C -1.563 173.283 174.900 -0.092 0.000 1.196 343 G CA -1.516 43.472 45.100 -0.186 0.000 0.908 343 G HN 0.405 nan 8.290 nan 0.000 0.524 344 P HA -0.083 nan 4.420 nan 0.000 0.218 344 P C 0.984 178.245 177.300 -0.065 0.000 1.146 344 P CA 1.519 64.597 63.100 -0.038 0.000 0.813 344 P CB 0.146 31.787 31.700 -0.099 0.000 0.778 345 D N -2.477 117.862 120.400 -0.102 0.000 2.340 345 D HA 0.130 4.770 4.640 -0.000 0.000 0.220 345 D C 1.425 177.671 176.300 -0.089 0.000 1.039 345 D CA 0.561 54.500 54.000 -0.100 0.000 0.866 345 D CB -0.828 39.889 40.800 -0.138 0.000 0.913 345 D HN 0.214 nan 8.370 nan 0.000 0.523 346 G N -0.236 108.518 108.800 -0.078 0.000 2.195 346 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.246 346 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.246 346 G C 0.405 175.275 174.900 -0.050 0.000 0.984 346 G CA 0.349 45.420 45.100 -0.048 0.000 0.633 346 G HN 0.859 nan 8.290 nan 0.000 0.525 347 S N 0.015 115.648 115.700 -0.112 0.000 2.690 347 S HA 0.783 5.253 4.470 -0.000 0.000 0.291 347 S C -2.638 171.848 174.600 -0.190 0.000 1.138 347 S CA -1.600 56.545 58.200 -0.091 0.000 1.013 347 S CB 2.478 65.553 63.200 -0.209 0.000 1.053 347 S HN 0.055 nan 8.310 nan 0.000 0.539 348 P HA 0.116 nan 4.420 nan 0.000 0.261 348 P C -0.892 175.878 177.300 -0.883 0.000 1.173 348 P CA -0.064 62.697 63.100 -0.565 0.000 0.760 348 P CB 0.169 31.482 31.700 -0.645 0.000 0.783 349 L N 5.431 126.100 121.223 -0.923 0.000 2.307 349 L HA 0.596 4.936 4.340 -0.000 0.000 0.282 349 L C -1.106 175.071 176.870 -1.155 0.000 1.051 349 L CA -0.037 54.293 54.840 -0.849 0.000 0.804 349 L CB 0.054 41.745 42.059 -0.613 0.000 1.197 349 L HN 0.160 nan 8.230 nan 0.000 0.431 350 F N 2.228 121.817 119.950 -0.602 0.000 2.576 350 F HA 0.764 5.291 4.527 -0.000 0.000 0.313 350 F C 0.604 176.056 175.800 -0.580 0.000 1.078 350 F CA -0.705 56.902 58.000 -0.655 0.000 0.921 350 F CB 2.207 40.651 39.000 -0.926 0.000 1.232 350 F HN 0.543 nan 8.300 nan 0.000 0.459 351 G N 0.213 108.970 108.800 -0.072 0.000 2.513 351 G HA2 0.543 4.503 3.960 -0.000 0.000 0.317 351 G HA3 0.543 4.503 3.960 -0.000 0.000 0.317 351 G C -2.006 172.996 174.900 0.169 0.000 1.277 351 G CA -0.765 44.393 45.100 0.098 0.000 0.955 351 G HN 0.885 nan 8.290 nan 0.000 0.484 352 C N 3.433 122.818 119.300 0.143 0.000 2.535 352 C HA 0.766 5.226 4.460 -0.000 0.000 0.319 352 C C -1.114 174.100 174.990 0.373 0.000 1.171 352 C CA -0.772 58.413 59.018 0.279 0.000 1.394 352 C CB 0.562 28.489 27.740 0.313 0.000 1.990 352 C HN 0.696 nan 8.230 nan 0.000 0.466 353 L N 7.126 128.599 121.223 0.417 0.000 2.333 353 L HA 0.796 5.136 4.340 -0.000 0.000 0.280 353 L C -0.689 176.404 176.870 0.372 0.000 1.004 353 L CA -0.024 55.044 54.840 0.381 0.000 0.820 353 L CB 1.260 43.537 42.059 0.363 0.000 1.247 353 L HN 0.784 nan 8.230 nan 0.000 0.416 354 Y N 1.005 121.405 120.300 0.166 0.000 2.571 354 Y HA 0.657 5.207 4.550 0.000 0.000 0.341 354 Y C -0.887 175.079 175.900 0.110 0.000 1.076 354 Y CA -1.194 56.985 58.100 0.131 0.000 1.029 354 Y CB 1.008 39.518 38.460 0.083 0.000 1.308 354 Y HN 0.577 nan 8.280 nan 0.000 0.461 355 E N 1.972 122.290 120.200 0.197 0.000 2.338 355 E HA 0.624 4.974 4.350 -0.000 0.000 0.272 355 E C -0.758 175.881 176.600 0.064 0.000 1.029 355 E CA -0.406 56.046 56.400 0.086 0.000 0.872 355 E CB 1.322 31.114 29.700 0.153 0.000 1.015 355 E HN 0.814 nan 8.360 nan 0.000 0.417 356 A N 3.007 125.796 122.820 -0.051 0.000 2.569 356 A HA 0.511 4.831 4.320 -0.000 0.000 0.290 356 A C -0.378 177.162 177.584 -0.074 0.000 1.136 356 A CA -0.761 51.261 52.037 -0.025 0.000 0.710 356 A CB 1.245 20.252 19.000 0.011 0.000 1.303 356 A HN 0.651 nan 8.150 nan 0.000 0.413 357 N N 0.257 118.918 118.700 -0.065 0.000 2.671 357 N HA -0.180 4.560 4.740 -0.000 0.000 0.261 357 N C -0.165 175.308 175.510 -0.061 0.000 1.053 357 N CA 1.862 54.879 53.050 -0.055 0.000 0.732 357 N CB -1.065 37.409 38.487 -0.022 0.000 0.887 357 N HN 1.158 nan 8.380 nan 0.000 0.546 358 D N 0.186 120.485 120.400 -0.168 0.000 2.708 358 D HA -0.279 4.361 4.640 -0.000 0.000 0.236 358 D C -0.373 175.967 176.300 0.066 0.000 1.146 358 D CA 1.795 55.708 54.000 -0.146 0.000 0.662 358 D CB -1.369 39.465 40.800 0.055 0.000 1.059 358 D HN 0.690 nan 8.370 nan 0.000 0.428 359 Y N -2.874 117.491 120.300 0.108 0.000 4.409 359 Y HA -0.296 4.253 4.550 -0.000 0.000 0.228 359 Y C 1.479 177.487 175.900 0.179 0.000 1.108 359 Y CA 1.125 59.304 58.100 0.131 0.000 1.955 359 Y CB -2.185 36.334 38.460 0.097 0.000 1.615 359 Y HN 0.456 nan 8.280 nan 0.000 0.665 360 E N 0.205 120.509 120.200 0.173 0.000 2.447 360 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 360 E C 0.457 177.096 176.600 0.064 0.000 1.028 360 E CA 0.750 57.182 56.400 0.054 0.000 0.876 360 E CB 0.357 30.046 29.700 -0.017 0.000 0.885 360 E HN 0.602 nan 8.360 nan 0.000 0.500 361 E N -0.078 120.161 120.200 0.064 0.000 2.430 361 E HA 0.444 4.794 4.350 -0.000 0.000 0.279 361 E C -1.093 175.515 176.600 0.013 0.000 1.003 361 E CA -0.595 55.831 56.400 0.043 0.000 0.801 361 E CB 2.238 31.924 29.700 -0.023 0.000 1.313 361 E HN -0.094 nan 8.360 nan 0.000 0.459 362 I N 1.866 122.443 120.570 0.012 0.000 2.439 362 I HA 0.317 4.487 4.170 -0.000 0.000 0.285 362 I C -0.914 175.119 176.117 -0.141 0.000 1.021 362 I CA -0.890 60.397 61.300 -0.021 0.000 1.091 362 I CB 1.705 39.804 38.000 0.165 0.000 1.242 362 I HN 0.149 nan 8.210 nan 0.000 0.439 363 V N 6.231 125.907 119.914 -0.398 0.000 2.532 363 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 363 V C -0.554 175.436 176.094 -0.173 0.000 1.041 363 V CA -0.699 61.364 62.300 -0.396 0.000 0.926 363 V CB 1.978 33.392 31.823 -0.680 0.000 0.992 363 V HN 0.447 nan 8.190 nan 0.000 0.457 364 F N 5.388 125.267 119.950 -0.118 0.000 2.427 364 F HA 0.727 5.254 4.527 -0.000 0.000 0.346 364 F C -0.769 175.160 175.800 0.215 0.000 1.120 364 F CA -0.751 57.293 58.000 0.074 0.000 1.033 364 F CB 0.917 39.957 39.000 0.067 0.000 1.126 364 F HN 0.292 nan 8.300 nan 0.000 0.462 365 L N 7.420 128.337 121.223 -0.511 0.000 2.365 365 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 365 L C -0.807 175.698 176.870 -0.607 0.000 1.000 365 L CA -0.797 53.852 54.840 -0.318 0.000 0.819 365 L CB 2.091 44.227 42.059 0.128 0.000 1.284 365 L HN 0.731 nan 8.230 nan 0.000 0.418 366 M N 4.941 124.348 119.600 -0.322 0.000 2.259 366 M HA 0.622 5.101 4.480 -0.000 0.000 0.304 366 M C -1.677 174.665 176.300 0.069 0.000 1.019 366 M CA -0.415 54.763 55.300 -0.202 0.000 0.922 366 M CB 1.493 34.068 32.600 -0.041 0.000 1.600 366 M HN 0.496 nan 8.290 nan 0.000 0.433 367 F N 0.765 120.698 119.950 -0.029 0.000 2.711 367 F HA 0.881 5.408 4.527 -0.000 0.000 0.313 367 F C -0.917 174.899 175.800 0.027 0.000 1.141 367 F CA -0.779 57.216 58.000 -0.008 0.000 0.941 367 F CB 0.904 39.900 39.000 -0.006 0.000 1.349 367 F HN 0.557 nan 8.300 nan 0.000 0.464 368 T N -0.775 113.880 114.554 0.168 0.000 2.949 368 T HA 0.429 4.778 4.350 -0.000 0.000 0.287 368 T C 0.392 175.277 174.700 0.308 0.000 1.034 368 T CA -0.589 61.530 62.100 0.033 0.000 1.018 368 T CB 1.740 70.550 68.868 -0.097 0.000 1.135 368 T HN 0.928 nan 8.240 nan 0.000 0.532 369 L N 0.746 122.130 121.223 0.267 0.000 2.083 369 L HA 0.144 4.484 4.340 -0.000 0.000 0.209 369 L C 2.602 179.676 176.870 0.340 0.000 1.083 369 L CA 1.832 56.974 54.840 0.504 0.000 0.752 369 L CB -0.796 41.566 42.059 0.504 0.000 0.899 369 L HN 0.898 nan 8.230 nan 0.000 0.433 370 K N -1.153 119.200 120.400 -0.079 0.000 2.097 370 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 370 K C 2.025 178.589 176.600 -0.060 0.000 1.050 370 K CA 1.510 57.577 56.287 -0.367 0.000 0.938 370 K CB -0.030 32.015 32.500 -0.759 0.000 0.718 370 K HN 0.507 nan 8.250 nan 0.000 0.442 371 Q N -0.409 119.391 119.800 0.000 0.000 2.083 371 Q HA -0.081 4.258 4.340 -0.000 0.000 0.198 371 Q C 2.109 178.091 176.000 -0.030 0.000 0.969 371 Q CA 1.395 57.201 55.803 0.004 0.000 0.838 371 Q CB -0.048 28.717 28.738 0.044 0.000 0.900 371 Q HN 0.389 nan 8.270 nan 0.000 0.436 372 A N 0.153 122.981 122.820 0.013 0.000 1.929 372 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 372 A C 0.549 177.789 177.584 -0.573 0.000 1.176 372 A CA 0.841 52.696 52.037 -0.303 0.000 0.628 372 A CB 0.091 18.964 19.000 -0.212 0.000 0.816 372 A HN 0.293 nan 8.150 nan 0.000 0.444 373 F N -0.324 119.729 119.950 0.172 0.000 2.584 373 F HA 0.305 4.831 4.527 -0.001 0.000 0.328 373 F C -1.670 174.287 175.800 0.262 0.000 1.407 373 F CA -1.936 56.186 58.000 0.204 0.000 1.145 373 F CB 1.328 40.495 39.000 0.277 0.000 1.440 373 F HN 0.088 nan 8.300 nan 0.000 0.580 374 P HA -0.251 nan 4.420 nan 0.000 0.218 374 P C 1.545 179.020 177.300 0.291 0.000 1.148 374 P CA 1.560 64.809 63.100 0.249 0.000 0.822 374 P CB 0.313 32.080 31.700 0.111 0.000 0.784 375 A N 0.344 123.310 122.820 0.244 0.000 2.131 375 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 375 A C 2.211 179.914 177.584 0.197 0.000 1.158 375 A CA 1.828 53.980 52.037 0.192 0.000 0.665 375 A CB -1.144 17.956 19.000 0.165 0.000 0.795 375 A HN 0.164 nan 8.150 nan 0.000 0.460 376 E N -1.603 118.769 120.200 0.287 0.000 2.427 376 E HA 0.073 4.423 4.350 -0.000 0.000 0.196 376 E C -0.345 176.164 176.600 -0.152 0.000 1.028 376 E CA 0.472 56.950 56.400 0.130 0.000 0.864 376 E CB -0.156 29.692 29.700 0.246 0.000 0.813 376 E HN 0.642 nan 8.360 nan 0.000 0.514 377 Y N 0.000 120.381 120.300 0.135 0.000 2.660 377 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 377 Y CA 0.000 58.158 58.100 0.096 0.000 1.940 377 Y CB 0.000 38.514 38.460 0.090 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758