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 2f12_1_A DATA FIRST_RESID 3 DATA SEQUENCE SLPVLQKESV FQSGAHAYRI PALLYLPGQQ SLLAFAEQRA XXXXXXAELI DATA SEQUENCE VLRRGDYDAP THQVQWQAQE VVAQARLDGH RSMNPCPLYD AQTGTLFLFF DATA SEQUENCE IAIPGQVTEQ QQLQTRANVT RLCQVTSTDH GRTWSSPRDL TDAAIGPAYR DATA SEQUENCE EWSTFAVGPG HCLQLNDRAR SLVVPAYAYR KLHXIQRPIP SAFCFLSHDH DATA SEQUENCE GRTWARGHFV AQDTLECQVA EVEXXXQRVV 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 0.000 174.523 174.600 -0.129 0.000 1.055 3 S CA 0.000 58.133 58.200 -0.113 0.000 1.107 3 S CB 0.000 63.129 63.200 -0.119 0.000 0.593 4 L N 2.524 123.634 121.223 -0.188 0.000 2.593 4 L HA 0.273 4.613 4.340 -0.001 0.000 0.287 4 L C -1.921 174.855 176.870 -0.158 0.000 1.243 4 L CA -0.881 53.831 54.840 -0.213 0.000 0.890 4 L CB 0.342 42.191 42.059 -0.350 0.000 1.134 4 L HN 0.616 nan 8.230 nan 0.000 0.502 5 P HA 0.138 nan 4.420 nan 0.000 0.276 5 P C -0.905 176.376 177.300 -0.033 0.000 1.253 5 P CA -0.180 62.888 63.100 -0.053 0.000 0.766 5 P CB 1.229 32.911 31.700 -0.030 0.000 0.845 6 V N 1.647 121.558 119.914 -0.005 0.000 2.960 6 V HA 0.350 4.469 4.120 -0.001 0.000 0.315 6 V C 1.372 177.506 176.094 0.066 0.000 1.087 6 V CA -0.855 61.475 62.300 0.051 0.000 0.982 6 V CB 1.703 33.552 31.823 0.044 0.000 1.039 6 V HN 0.324 nan 8.190 nan 0.000 0.437 7 L N 0.145 121.416 121.223 0.080 0.000 2.240 7 L HA 0.259 4.599 4.340 -0.001 0.000 0.211 7 L C 1.146 178.089 176.870 0.121 0.000 1.106 7 L CA 1.175 56.069 54.840 0.090 0.000 0.793 7 L CB -0.065 42.030 42.059 0.060 0.000 0.927 7 L HN 0.907 nan 8.230 nan 0.000 0.446 8 Q N -0.254 119.601 119.800 0.092 0.000 2.438 8 Q HA 0.290 4.629 4.340 -0.001 0.000 0.272 8 Q C -1.474 174.562 176.000 0.061 0.000 0.994 8 Q CA -0.627 55.247 55.803 0.117 0.000 0.887 8 Q CB 2.260 31.129 28.738 0.217 0.000 1.432 8 Q HN -0.095 nan 8.270 nan 0.000 0.392 9 K N 2.721 123.180 120.400 0.098 0.000 2.716 9 K HA 0.308 4.628 4.320 -0.001 0.000 0.249 9 K C -1.902 174.761 176.600 0.105 0.000 1.004 9 K CA -0.137 56.197 56.287 0.078 0.000 0.968 9 K CB 1.416 33.954 32.500 0.063 0.000 1.214 9 K HN 0.632 nan 8.250 nan 0.000 0.476 10 E N 2.407 122.691 120.200 0.140 0.000 2.292 10 E HA 0.183 4.532 4.350 -0.001 0.000 0.272 10 E C -1.466 175.136 176.600 0.003 0.000 0.881 10 E CA -0.577 55.886 56.400 0.105 0.000 0.754 10 E CB 2.079 31.897 29.700 0.197 0.000 1.201 10 E HN 0.422 nan 8.360 nan 0.000 0.425 11 S N 2.571 118.237 115.700 -0.057 0.000 2.510 11 S HA 0.111 4.580 4.470 -0.001 0.000 0.279 11 S C 0.795 175.251 174.600 -0.240 0.000 1.284 11 S CA -0.161 57.964 58.200 -0.126 0.000 1.059 11 S CB 0.612 63.759 63.200 -0.088 0.000 0.901 11 S HN 0.471 nan 8.310 nan 0.000 0.491 12 V N 3.171 122.862 119.914 -0.371 0.000 3.645 12 V HA 0.576 4.695 4.120 -0.001 0.000 0.275 12 V C -0.376 175.148 176.094 -0.951 0.000 1.356 12 V CA -0.023 61.835 62.300 -0.736 0.000 1.051 12 V CB -0.627 30.529 31.823 -1.111 0.000 0.828 12 V HN 0.642 nan 8.190 nan 0.000 0.441 13 F N 0.569 120.318 119.950 -0.334 0.000 2.588 13 F HA 0.767 5.292 4.527 -0.002 0.000 0.314 13 F C -0.308 175.352 175.800 -0.233 0.000 1.134 13 F CA -0.649 57.093 58.000 -0.430 0.000 0.961 13 F CB 2.227 40.941 39.000 -0.477 0.000 1.239 13 F HN -0.013 nan 8.300 nan 0.000 0.448 14 Q N 1.049 120.858 119.800 0.015 0.000 2.389 14 Q HA 0.488 4.827 4.340 -0.001 0.000 0.277 14 Q C -1.117 175.070 176.000 0.313 0.000 1.082 14 Q CA -1.167 54.718 55.803 0.136 0.000 0.810 14 Q CB 2.791 31.563 28.738 0.057 0.000 1.374 14 Q HN 0.548 nan 8.270 nan 0.000 0.422 15 S N 0.605 116.455 115.700 0.251 0.000 2.516 15 S HA 0.405 4.874 4.470 -0.001 0.000 0.282 15 S C 0.172 174.874 174.600 0.169 0.000 1.286 15 S CA 0.302 58.631 58.200 0.214 0.000 1.066 15 S CB 0.662 63.933 63.200 0.119 0.000 0.884 15 S HN 0.787 nan 8.310 nan 0.000 0.491 16 G N 1.568 110.476 108.800 0.180 0.000 3.481 16 G HA2 0.495 4.454 3.960 -0.001 0.000 0.180 16 G HA3 0.495 4.454 3.960 -0.001 0.000 0.180 16 G C 0.846 175.793 174.900 0.078 0.000 1.345 16 G CA 0.107 45.286 45.100 0.131 0.000 1.104 16 G HN 0.670 nan 8.290 nan 0.000 0.749 17 A N -0.486 122.397 122.820 0.105 0.000 2.014 17 A HA 0.351 4.671 4.320 -0.001 0.000 0.218 17 A C 1.017 178.449 177.584 -0.253 0.000 1.163 17 A CA 1.412 53.427 52.037 -0.036 0.000 0.652 17 A CB -0.438 18.589 19.000 0.045 0.000 0.808 17 A HN 0.580 nan 8.150 nan 0.000 0.449 18 H N -2.983 116.056 119.070 -0.051 0.000 2.869 18 H HA 0.747 5.302 4.556 -0.002 0.000 0.342 18 H C -0.208 174.936 175.328 -0.305 0.000 1.250 18 H CA -0.187 55.727 56.048 -0.223 0.000 1.217 18 H CB 1.479 31.011 29.762 -0.384 0.000 1.917 18 H HN 0.249 nan 8.280 nan 0.000 0.586 19 A N 0.492 123.135 122.820 -0.296 0.000 2.355 19 A HA 0.686 5.005 4.320 -0.001 0.000 0.324 19 A C -1.667 175.598 177.584 -0.532 0.000 1.117 19 A CA -0.518 51.370 52.037 -0.248 0.000 0.785 19 A CB 0.566 19.493 19.000 -0.122 0.000 1.254 19 A HN 0.565 nan 8.150 nan 0.000 0.453 20 Y N 0.497 120.790 120.300 -0.011 0.000 2.425 20 Y HA 0.749 5.297 4.550 -0.002 0.000 0.344 20 Y C 0.585 176.431 175.900 -0.090 0.000 0.969 20 Y CA -0.444 57.598 58.100 -0.097 0.000 1.052 20 Y CB 2.163 40.541 38.460 -0.135 0.000 1.215 20 Y HN 0.796 nan 8.280 nan 0.000 0.451 21 R N 1.561 122.052 120.500 -0.014 0.000 2.762 21 R HA 0.528 4.867 4.340 -0.001 0.000 0.271 21 R C -1.479 174.773 176.300 -0.080 0.000 1.038 21 R CA -1.136 54.930 56.100 -0.056 0.000 0.906 21 R CB 1.905 32.105 30.300 -0.166 0.000 1.259 21 R HN 0.636 nan 8.270 nan 0.000 0.457 22 I N 0.181 120.698 120.570 -0.088 0.000 7.356 22 I HA -0.142 4.027 4.170 -0.001 0.000 0.126 22 I C -2.316 173.856 176.117 0.090 0.000 1.829 22 I CA -0.109 61.197 61.300 0.010 0.000 2.068 22 I CB -2.189 35.798 38.000 -0.021 0.000 3.620 22 I HN 0.485 nan 8.210 nan 0.000 0.179 23 P HA 0.537 nan 4.420 nan 0.000 0.277 23 P C -0.393 177.061 177.300 0.257 0.000 1.240 23 P CA -0.138 63.070 63.100 0.181 0.000 0.798 23 P CB 2.184 34.009 31.700 0.208 0.000 0.979 24 A N 2.168 125.178 122.820 0.316 0.000 2.488 24 A HA 0.636 4.955 4.320 -0.001 0.000 0.298 24 A C -1.731 176.144 177.584 0.485 0.000 1.044 24 A CA -0.576 51.690 52.037 0.382 0.000 0.693 24 A CB 1.181 20.376 19.000 0.325 0.000 1.272 24 A HN 0.498 nan 8.150 nan 0.000 0.402 25 L N 1.974 123.476 121.223 0.465 0.000 2.386 25 L HA 0.911 5.250 4.340 -0.001 0.000 0.271 25 L C -1.581 175.560 176.870 0.452 0.000 0.993 25 L CA -0.698 54.410 54.840 0.448 0.000 0.819 25 L CB 1.853 44.144 42.059 0.388 0.000 1.294 25 L HN 0.762 nan 8.230 nan 0.000 0.414 26 L N 4.507 126.003 121.223 0.455 0.000 2.438 26 L HA 0.504 4.843 4.340 -0.001 0.000 0.270 26 L C -1.894 175.188 176.870 0.353 0.000 0.972 26 L CA -0.312 54.786 54.840 0.429 0.000 0.831 26 L CB 1.700 44.077 42.059 0.529 0.000 1.273 26 L HN 0.608 nan 8.230 nan 0.000 0.405 27 Y N 5.273 125.672 120.300 0.164 0.000 2.330 27 Y HA 0.632 5.181 4.550 -0.001 0.000 0.336 27 Y C -1.031 174.875 175.900 0.009 0.000 1.036 27 Y CA -0.943 57.200 58.100 0.071 0.000 1.125 27 Y CB 1.243 39.734 38.460 0.051 0.000 1.194 27 Y HN 0.519 nan 8.280 nan 0.000 0.469 28 L N 9.889 130.673 121.223 -0.731 0.000 2.321 28 L HA 0.304 4.643 4.340 -0.001 0.000 0.272 28 L C -1.567 174.692 176.870 -1.019 0.000 1.050 28 L CA -1.789 52.597 54.840 -0.758 0.000 0.893 28 L CB 0.898 42.613 42.059 -0.574 0.000 1.272 28 L HN 0.554 nan 8.230 nan 0.000 0.435 29 P HA -0.249 nan 4.420 nan 0.000 0.216 29 P C 1.438 178.561 177.300 -0.295 0.000 1.167 29 P CA 1.979 64.806 63.100 -0.454 0.000 0.933 29 P CB 0.207 31.868 31.700 -0.065 0.000 0.793 30 G N -0.903 107.749 108.800 -0.247 0.000 2.586 30 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.215 30 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.215 30 G C 1.433 176.196 174.900 -0.228 0.000 1.128 30 G CA 0.404 45.401 45.100 -0.173 0.000 0.774 30 G HN 0.328 nan 8.290 nan 0.000 0.543 31 Q N -0.752 118.839 119.800 -0.348 0.000 2.247 31 Q HA 0.124 4.463 4.340 -0.001 0.000 0.211 31 Q C 0.764 176.617 176.000 -0.244 0.000 0.861 31 Q CA -0.013 55.586 55.803 -0.340 0.000 0.949 31 Q CB 0.437 28.878 28.738 -0.495 0.000 1.115 31 Q HN 0.646 nan 8.270 nan 0.000 0.507 32 Q N 0.786 120.466 119.800 -0.200 0.000 2.461 32 Q HA -0.179 4.161 4.340 -0.001 0.000 0.273 32 Q C -0.441 175.574 176.000 0.026 0.000 1.163 32 Q CA 0.889 56.706 55.803 0.024 0.000 0.929 32 Q CB -1.784 26.969 28.738 0.024 0.000 1.334 32 Q HN 0.408 nan 8.270 nan 0.000 0.499 33 S N -1.274 114.327 115.700 -0.164 0.000 2.595 33 S HA 0.868 5.337 4.470 -0.001 0.000 0.281 33 S C -0.555 173.974 174.600 -0.119 0.000 1.117 33 S CA -1.120 56.993 58.200 -0.145 0.000 0.873 33 S CB 2.276 65.350 63.200 -0.211 0.000 1.108 33 S HN 0.211 nan 8.310 nan 0.000 0.477 34 L N 1.061 122.213 121.223 -0.118 0.000 2.333 34 L HA 0.633 4.972 4.340 -0.001 0.000 0.269 34 L C -1.010 175.881 176.870 0.035 0.000 1.010 34 L CA -0.891 53.962 54.840 0.022 0.000 0.818 34 L CB 1.730 43.817 42.059 0.047 0.000 1.306 34 L HN 0.580 nan 8.230 nan 0.000 0.430 35 L N 2.341 123.648 121.223 0.140 0.000 2.325 35 L HA 0.692 5.031 4.340 -0.001 0.000 0.281 35 L C -0.320 176.568 176.870 0.029 0.000 1.004 35 L CA -0.558 54.299 54.840 0.028 0.000 0.823 35 L CB 1.799 43.854 42.059 -0.007 0.000 1.236 35 L HN 0.663 nan 8.230 nan 0.000 0.415 36 A N 4.222 127.040 122.820 -0.004 0.000 2.258 36 A HA 0.799 5.119 4.320 -0.001 0.000 0.316 36 A C -0.996 176.587 177.584 -0.000 0.000 1.279 36 A CA -0.269 51.811 52.037 0.071 0.000 0.876 36 A CB 0.288 19.244 19.000 -0.075 0.000 1.170 36 A HN 0.517 nan 8.150 nan 0.000 0.520 37 F N 1.414 121.506 119.950 0.237 0.000 2.523 37 F HA 0.813 5.339 4.527 -0.002 0.000 0.329 37 F C 0.638 176.396 175.800 -0.070 0.000 1.061 37 F CA 0.005 58.069 58.000 0.108 0.000 0.967 37 F CB 2.313 41.364 39.000 0.084 0.000 1.218 37 F HN 0.791 nan 8.300 nan 0.000 0.480 38 A N 0.708 123.501 122.820 -0.046 0.000 2.586 38 A HA 0.553 4.872 4.320 -0.001 0.000 0.291 38 A C -1.584 175.906 177.584 -0.156 0.000 1.062 38 A CA -0.972 50.911 52.037 -0.256 0.000 0.666 38 A CB 1.094 19.573 19.000 -0.869 0.000 1.281 38 A HN 0.703 nan 8.150 nan 0.000 0.421 39 E N 0.876 121.007 120.200 -0.115 0.000 2.259 39 E HA 0.325 4.674 4.350 -0.001 0.000 0.281 39 E C -0.535 175.994 176.600 -0.118 0.000 1.027 39 E CA -0.329 56.011 56.400 -0.099 0.000 0.838 39 E CB 1.365 31.009 29.700 -0.095 0.000 1.066 39 E HN 0.509 nan 8.360 nan 0.000 0.401 40 Q N 3.945 123.660 119.800 -0.142 0.000 2.398 40 Q HA 0.216 4.555 4.340 -0.001 0.000 0.251 40 Q C -0.907 174.948 176.000 -0.242 0.000 0.999 40 Q CA -0.492 55.131 55.803 -0.300 0.000 0.874 40 Q CB 0.536 29.139 28.738 -0.225 0.000 1.215 40 Q HN 0.364 nan 8.270 nan 0.000 0.470 41 R N 1.588 121.924 120.500 -0.273 0.000 2.540 41 R HA 0.590 4.929 4.340 -0.001 0.000 0.287 41 R C -0.107 176.146 176.300 -0.079 0.000 0.980 41 R CA -0.254 55.758 56.100 -0.147 0.000 0.966 41 R CB 1.440 31.646 30.300 -0.156 0.000 1.106 41 R HN 0.695 nan 8.270 nan 0.000 0.480 50 E N 1.262 121.430 120.200 -0.053 0.000 2.065 50 E HA 0.263 4.612 4.350 -0.001 0.000 0.191 50 E C 0.259 176.827 176.600 -0.053 0.000 0.960 50 E CA 0.798 57.176 56.400 -0.036 0.000 0.824 50 E CB 0.217 29.904 29.700 -0.021 0.000 0.793 50 E HN 0.713 nan 8.360 nan 0.000 0.459 51 L N 0.449 121.622 121.223 -0.083 0.000 2.283 51 L HA 0.513 4.852 4.340 -0.001 0.000 0.259 51 L C -0.539 176.253 176.870 -0.131 0.000 1.027 51 L CA -0.951 53.820 54.840 -0.115 0.000 0.828 51 L CB 1.905 43.901 42.059 -0.105 0.000 1.380 51 L HN -0.037 nan 8.230 nan 0.000 0.425 52 I N 1.627 122.095 120.570 -0.170 0.000 2.404 52 I HA 0.434 4.603 4.170 -0.001 0.000 0.293 52 I C -0.332 175.740 176.117 -0.074 0.000 0.992 52 I CA -0.835 60.381 61.300 -0.141 0.000 1.149 52 I CB 1.941 39.798 38.000 -0.238 0.000 1.315 52 I HN 0.265 nan 8.210 nan 0.000 0.446 53 V N 4.544 124.455 119.914 -0.004 0.000 2.994 53 V HA 0.768 4.888 4.120 -0.001 0.000 0.318 53 V C -0.826 175.345 176.094 0.129 0.000 1.085 53 V CA -0.830 61.508 62.300 0.063 0.000 0.998 53 V CB 2.112 34.012 31.823 0.129 0.000 1.063 53 V HN 0.604 nan 8.190 nan 0.000 0.447 54 L N 1.683 122.984 121.223 0.131 0.000 2.434 54 L HA 0.794 5.133 4.340 -0.001 0.000 0.260 54 L C -0.718 176.183 176.870 0.052 0.000 0.983 54 L CA -0.487 54.368 54.840 0.025 0.000 0.820 54 L CB 2.297 44.304 42.059 -0.087 0.000 1.361 54 L HN 0.848 nan 8.230 nan 0.000 0.410 55 R N 3.130 123.630 120.500 0.000 0.000 2.575 55 R HA 0.532 4.871 4.340 -0.001 0.000 0.293 55 R C -1.141 175.254 176.300 0.158 0.000 0.983 55 R CA -0.882 55.226 56.100 0.013 0.000 0.887 55 R CB 2.453 32.627 30.300 -0.211 0.000 1.184 55 R HN 0.652 nan 8.270 nan 0.000 0.445 56 R N 1.103 121.685 120.500 0.137 0.000 2.368 56 R HA 0.511 4.850 4.340 -0.001 0.000 0.302 56 R C -0.687 175.581 176.300 -0.054 0.000 1.002 56 R CA -0.333 55.802 56.100 0.059 0.000 0.929 56 R CB 1.514 31.809 30.300 -0.009 0.000 1.073 56 R HN 0.791 nan 8.270 nan 0.000 0.464 57 G N 2.181 110.705 108.800 -0.460 0.000 2.643 57 G HA2 0.190 4.149 3.960 -0.001 0.000 0.305 57 G HA3 0.190 4.149 3.960 -0.001 0.000 0.305 57 G C -1.667 172.850 174.900 -0.639 0.000 1.387 57 G CA -0.448 44.027 45.100 -1.042 0.000 0.982 57 G HN 0.593 nan 8.290 nan 0.000 0.501 58 D N 0.654 120.778 120.400 -0.460 0.000 2.280 58 D HA 0.317 4.956 4.640 -0.001 0.000 0.236 58 D C -1.031 175.160 176.300 -0.182 0.000 1.082 58 D CA -0.507 53.340 54.000 -0.255 0.000 0.834 58 D CB 1.093 41.780 40.800 -0.188 0.000 1.100 58 D HN 0.221 nan 8.370 nan 0.000 0.486 59 Y N 3.695 123.876 120.300 -0.199 0.000 2.365 59 Y HA 0.304 4.853 4.550 -0.001 0.000 0.340 59 Y C -0.702 175.158 175.900 -0.067 0.000 1.016 59 Y CA -0.749 57.280 58.100 -0.118 0.000 1.196 59 Y CB 0.782 39.220 38.460 -0.037 0.000 1.167 59 Y HN 0.278 nan 8.280 nan 0.000 0.509 60 D N 5.563 125.641 120.400 -0.537 0.000 2.460 60 D HA 0.321 4.960 4.640 -0.001 0.000 0.232 60 D C 0.470 176.356 176.300 -0.689 0.000 1.079 60 D CA 0.151 53.832 54.000 -0.530 0.000 0.864 60 D CB 1.724 42.378 40.800 -0.244 0.000 1.048 60 D HN 0.846 nan 8.370 nan 0.000 0.523 61 A N 5.570 127.880 122.820 -0.851 0.000 1.883 61 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 61 A C -0.581 176.982 177.584 -0.034 0.000 1.186 61 A CA 1.132 52.907 52.037 -0.437 0.000 0.624 61 A CB -1.129 17.728 19.000 -0.238 0.000 0.822 61 A HN 0.477 nan 8.150 nan 0.000 0.444 62 P HA -0.137 nan 4.420 nan 0.000 0.216 62 P C 1.356 178.566 177.300 -0.150 0.000 1.150 62 P CA 2.094 65.156 63.100 -0.063 0.000 0.843 62 P CB -0.197 31.450 31.700 -0.089 0.000 0.787 63 T N -6.398 108.073 114.554 -0.139 0.000 3.086 63 T HA 0.082 4.431 4.350 -0.001 0.000 0.250 63 T C 0.364 175.026 174.700 -0.063 0.000 1.074 63 T CA -0.276 61.720 62.100 -0.172 0.000 0.988 63 T CB -1.288 67.521 68.868 -0.097 0.000 0.988 63 T HN 0.300 nan 8.240 nan 0.000 0.530 64 H N 0.526 119.605 119.070 0.016 0.000 2.741 64 H HA -0.160 4.395 4.556 -0.002 0.000 0.305 64 H C 0.060 175.502 175.328 0.191 0.000 1.169 64 H CA 0.471 56.597 56.048 0.130 0.000 1.144 64 H CB -1.413 28.406 29.762 0.095 0.000 1.397 64 H HN 0.610 nan 8.280 nan 0.000 0.409 65 Q N 0.323 120.286 119.800 0.271 0.000 2.418 65 Q HA 0.575 4.914 4.340 -0.001 0.000 0.282 65 Q C -1.474 174.659 176.000 0.222 0.000 1.044 65 Q CA -0.862 55.090 55.803 0.247 0.000 0.813 65 Q CB 2.644 31.463 28.738 0.136 0.000 1.428 65 Q HN 0.110 nan 8.270 nan 0.000 0.402 66 V N 3.458 123.486 119.914 0.190 0.000 2.398 66 V HA 0.308 4.427 4.120 -0.001 0.000 0.286 66 V C -0.617 175.310 176.094 -0.279 0.000 1.026 66 V CA -0.661 61.578 62.300 -0.100 0.000 0.868 66 V CB 1.652 33.270 31.823 -0.341 0.000 0.982 66 V HN 0.695 nan 8.190 nan 0.000 0.443 67 Q N 3.766 123.365 119.800 -0.336 0.000 2.331 67 Q HA 0.285 4.624 4.340 -0.001 0.000 0.257 67 Q C -1.119 174.655 176.000 -0.376 0.000 0.957 67 Q CA -0.057 55.606 55.803 -0.234 0.000 0.923 67 Q CB 1.527 30.180 28.738 -0.142 0.000 1.212 67 Q HN 0.686 nan 8.270 nan 0.000 0.443 68 W N 2.559 123.797 121.300 -0.102 0.000 2.361 68 W HA 0.270 4.930 4.660 -0.000 0.000 0.309 68 W C 0.639 177.081 176.519 -0.128 0.000 1.122 68 W CA -0.458 56.797 57.345 -0.150 0.000 1.208 68 W CB 0.936 30.271 29.460 -0.208 0.000 1.246 68 W HN 0.412 nan 8.180 nan 0.000 0.490 69 Q N 1.991 121.851 119.800 0.101 0.000 2.407 69 Q HA 0.549 4.888 4.340 -0.001 0.000 0.214 69 Q C 0.328 176.346 176.000 0.031 0.000 1.043 69 Q CA -0.777 55.049 55.803 0.039 0.000 0.983 69 Q CB 0.537 29.279 28.738 0.007 0.000 1.211 69 Q HN 0.595 nan 8.270 nan 0.000 0.564 70 A N 1.071 123.895 122.820 0.006 0.000 2.498 70 A HA -0.032 4.287 4.320 -0.001 0.000 0.239 70 A C -0.017 177.558 177.584 -0.015 0.000 1.068 70 A CA -0.036 51.994 52.037 -0.011 0.000 0.766 70 A CB 0.085 19.085 19.000 -0.001 0.000 1.003 70 A HN 0.670 nan 8.150 nan 0.000 0.497 71 Q N 1.049 120.823 119.800 -0.043 0.000 2.330 71 Q HA 0.203 4.542 4.340 -0.001 0.000 0.279 71 Q C -0.666 175.353 176.000 0.032 0.000 1.024 71 Q CA 0.728 56.520 55.803 -0.019 0.000 0.900 71 Q CB 0.318 29.035 28.738 -0.034 0.000 1.221 71 Q HN 0.727 nan 8.270 nan 0.000 0.396 72 E N 2.375 122.611 120.200 0.061 0.000 2.331 72 E HA 0.296 4.645 4.350 -0.001 0.000 0.275 72 E C -1.328 175.313 176.600 0.068 0.000 0.895 72 E CA -0.856 55.583 56.400 0.064 0.000 0.753 72 E CB 2.223 31.968 29.700 0.074 0.000 1.216 72 E HN 0.413 nan 8.360 nan 0.000 0.434 73 V N 2.256 122.195 119.914 0.042 0.000 2.614 73 V HA 0.034 4.153 4.120 -0.001 0.000 0.291 73 V C 0.225 176.316 176.094 -0.006 0.000 1.049 73 V CA -0.405 61.900 62.300 0.008 0.000 1.038 73 V CB 1.198 33.012 31.823 -0.015 0.000 0.980 73 V HN 0.460 nan 8.190 nan 0.000 0.481 74 V N 5.893 125.759 119.914 -0.081 0.000 2.223 74 V HA 0.151 4.270 4.120 -0.001 0.000 0.249 74 V C 1.440 177.419 176.094 -0.191 0.000 1.233 74 V CA 0.548 62.728 62.300 -0.200 0.000 1.131 74 V CB -0.196 31.355 31.823 -0.454 0.000 1.298 74 V HN 1.095 nan 8.190 nan 0.000 0.498 75 A N 3.539 126.317 122.820 -0.071 0.000 1.927 75 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 75 A C 2.086 179.634 177.584 -0.060 0.000 1.185 75 A CA 1.591 53.602 52.037 -0.045 0.000 0.639 75 A CB -0.244 18.765 19.000 0.014 0.000 0.820 75 A HN 0.665 nan 8.150 nan 0.000 0.451 76 Q N -0.754 119.019 119.800 -0.045 0.000 2.369 76 Q HA 0.069 4.408 4.340 -0.001 0.000 0.206 76 Q C 1.295 177.245 176.000 -0.083 0.000 0.963 76 Q CA 0.868 56.663 55.803 -0.013 0.000 0.894 76 Q CB -0.483 28.305 28.738 0.082 0.000 0.965 76 Q HN 0.610 nan 8.270 nan 0.000 0.475 77 A N 2.491 125.128 122.820 -0.305 0.000 3.051 77 A HA 0.220 4.539 4.320 -0.001 0.000 0.257 77 A C 0.170 177.371 177.584 -0.638 0.000 1.785 77 A CA -0.130 51.491 52.037 -0.693 0.000 1.420 77 A CB -0.851 17.514 19.000 -1.059 0.000 1.063 77 A HN 0.310 nan 8.150 nan 0.000 0.630 78 R N -0.521 119.928 120.500 -0.086 0.000 2.753 78 R HA 0.625 4.965 4.340 -0.001 0.000 0.272 78 R C -2.122 174.259 176.300 0.134 0.000 1.034 78 R CA -0.950 55.188 56.100 0.064 0.000 0.869 78 R CB 0.685 30.969 30.300 -0.027 0.000 1.264 78 R HN 0.130 nan 8.270 nan 0.000 0.481 79 L N 1.154 122.443 121.223 0.111 0.000 2.334 79 L HA 0.397 4.736 4.340 -0.001 0.000 0.276 79 L C -0.139 176.775 176.870 0.073 0.000 1.014 79 L CA -1.096 53.743 54.840 -0.001 0.000 0.815 79 L CB 1.890 43.789 42.059 -0.267 0.000 1.268 79 L HN 0.683 nan 8.230 nan 0.000 0.428 80 D N 1.867 122.310 120.400 0.072 0.000 2.487 80 D HA 0.033 4.672 4.640 -0.001 0.000 0.243 80 D C 1.020 177.468 176.300 0.246 0.000 1.154 80 D CA 1.550 55.620 54.000 0.118 0.000 0.876 80 D CB 1.008 41.855 40.800 0.079 0.000 1.161 80 D HN 0.847 nan 8.370 nan 0.000 0.478 81 G N 3.007 111.911 108.800 0.175 0.000 2.153 81 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.252 81 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.252 81 G C -0.056 174.885 174.900 0.067 0.000 0.994 81 G CA 0.568 45.740 45.100 0.121 0.000 0.698 81 G HN 0.722 nan 8.290 nan 0.000 0.521 82 H N -1.041 118.045 119.070 0.026 0.000 2.797 82 H HA 0.746 5.301 4.556 -0.002 0.000 0.372 82 H C 0.433 175.776 175.328 0.026 0.000 1.168 82 H CA -0.778 55.288 56.048 0.030 0.000 1.163 82 H CB 1.008 30.799 29.762 0.049 0.000 1.778 82 H HN 0.271 nan 8.280 nan 0.000 0.551 83 R N 0.769 121.346 120.500 0.130 0.000 2.428 83 R HA 0.557 4.896 4.340 -0.001 0.000 0.294 83 R C -0.621 175.740 176.300 0.102 0.000 1.000 83 R CA -0.629 55.512 56.100 0.068 0.000 0.960 83 R CB 1.376 31.687 30.300 0.018 0.000 1.076 83 R HN 0.490 nan 8.270 nan 0.000 0.475 84 S N 3.961 119.697 115.700 0.060 0.000 2.489 84 S HA 0.594 5.063 4.470 -0.001 0.000 0.291 84 S C -0.095 174.530 174.600 0.041 0.000 1.151 84 S CA -0.756 57.498 58.200 0.089 0.000 1.082 84 S CB 1.074 64.217 63.200 -0.094 0.000 1.019 84 S HN 0.525 nan 8.310 nan 0.000 0.492 85 M N 0.838 120.502 119.600 0.106 0.000 2.721 85 M HA 0.572 5.051 4.480 -0.001 0.000 0.271 85 M C -1.009 175.349 176.300 0.097 0.000 1.259 85 M CA -0.824 54.509 55.300 0.055 0.000 0.835 85 M CB 1.182 33.796 32.600 0.023 0.000 1.689 85 M HN 0.563 nan 8.290 nan 0.000 0.470 86 N N 0.977 119.721 118.700 0.074 0.000 2.699 86 N HA -0.079 4.660 4.740 -0.001 0.000 0.257 86 N C -2.636 172.943 175.510 0.114 0.000 1.077 86 N CA 0.115 53.229 53.050 0.106 0.000 0.702 86 N CB -0.974 37.579 38.487 0.110 0.000 0.886 86 N HN 0.534 nan 8.380 nan 0.000 0.549 87 P HA 0.107 nan 4.420 nan 0.000 0.267 87 P C -0.332 176.982 177.300 0.024 0.000 1.209 87 P CA 0.101 63.192 63.100 -0.014 0.000 0.763 87 P CB 0.636 32.283 31.700 -0.088 0.000 0.816 88 C N 6.613 125.943 119.300 0.049 0.000 2.653 88 C HA 0.369 4.828 4.460 -0.001 0.000 0.291 88 C C -2.018 173.079 174.990 0.178 0.000 1.064 88 C CA -1.654 57.451 59.018 0.146 0.000 1.469 88 C CB 1.281 29.148 27.740 0.211 0.000 1.861 88 C HN 0.500 nan 8.230 nan 0.000 0.434 89 P HA 0.617 nan 4.420 nan 0.000 0.279 89 P C -1.113 176.419 177.300 0.387 0.000 1.252 89 P CA -0.267 62.933 63.100 0.166 0.000 0.811 89 P CB 2.025 33.800 31.700 0.124 0.000 1.035 90 L N 2.452 123.951 121.223 0.459 0.000 2.549 90 L HA 0.470 4.809 4.340 -0.001 0.000 0.259 90 L C -2.045 175.167 176.870 0.569 0.000 0.934 90 L CA -0.993 54.153 54.840 0.511 0.000 0.865 90 L CB 1.757 44.138 42.059 0.537 0.000 1.352 90 L HN 0.316 nan 8.230 nan 0.000 0.410 91 Y N 3.946 124.477 120.300 0.385 0.000 2.334 91 Y HA 0.483 5.032 4.550 -0.002 0.000 0.336 91 Y C -0.564 175.533 175.900 0.327 0.000 0.960 91 Y CA -0.749 57.553 58.100 0.336 0.000 1.164 91 Y CB 0.999 39.608 38.460 0.248 0.000 1.155 91 Y HN 0.701 nan 8.280 nan 0.000 0.478 92 D N 5.215 125.459 120.400 -0.259 0.000 2.352 92 D HA 0.203 4.842 4.640 -0.001 0.000 0.245 92 D C 0.709 176.584 176.300 -0.708 0.000 1.224 92 D CA 0.399 54.275 54.000 -0.207 0.000 0.879 92 D CB 1.453 42.360 40.800 0.178 0.000 1.057 92 D HN 0.844 nan 8.370 nan 0.000 0.491 93 A N 3.844 126.371 122.820 -0.487 0.000 2.172 93 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 93 A C 1.846 179.384 177.584 -0.077 0.000 1.154 93 A CA 1.107 52.989 52.037 -0.258 0.000 0.701 93 A CB -0.146 18.905 19.000 0.085 0.000 0.789 93 A HN 0.678 nan 8.150 nan 0.000 0.465 94 Q N -0.767 118.993 119.800 -0.066 0.000 2.259 94 Q HA -0.069 4.270 4.340 -0.001 0.000 0.201 94 Q C 1.873 177.801 176.000 -0.119 0.000 0.938 94 Q CA 1.492 57.270 55.803 -0.042 0.000 0.872 94 Q CB 0.129 28.882 28.738 0.026 0.000 0.971 94 Q HN 0.667 nan 8.270 nan 0.000 0.494 95 T N -4.223 110.228 114.554 -0.173 0.000 3.044 95 T HA 0.276 4.625 4.350 -0.001 0.000 0.250 95 T C 1.284 175.931 174.700 -0.088 0.000 1.081 95 T CA 0.499 62.500 62.100 -0.166 0.000 1.040 95 T CB 0.552 69.305 68.868 -0.192 0.000 0.962 95 T HN 0.456 nan 8.240 nan 0.000 0.506 96 G N 1.312 110.056 108.800 -0.093 0.000 2.153 96 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.252 96 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.252 96 G C 0.110 175.046 174.900 0.060 0.000 0.994 96 G CA 0.334 45.463 45.100 0.048 0.000 0.698 96 G HN 0.712 nan 8.290 nan 0.000 0.521 97 T N 0.655 115.177 114.554 -0.052 0.000 2.882 97 T HA 0.584 4.933 4.350 -0.001 0.000 0.287 97 T C 0.272 174.969 174.700 -0.006 0.000 0.992 97 T CA -0.403 61.636 62.100 -0.102 0.000 1.076 97 T CB 2.164 70.882 68.868 -0.250 0.000 0.961 97 T HN 0.394 nan 8.240 nan 0.000 0.490 98 L N 3.801 125.008 121.223 -0.027 0.000 2.282 98 L HA 0.598 4.937 4.340 -0.001 0.000 0.288 98 L C -1.404 175.495 176.870 0.048 0.000 1.033 98 L CA -0.732 54.209 54.840 0.170 0.000 0.807 98 L CB 0.418 42.556 42.059 0.132 0.000 1.209 98 L HN 0.577 nan 8.230 nan 0.000 0.423 99 F N 4.992 125.068 119.950 0.210 0.000 2.480 99 F HA 0.473 4.999 4.527 -0.002 0.000 0.329 99 F C -0.273 175.492 175.800 -0.059 0.000 1.091 99 F CA -0.645 57.354 58.000 -0.002 0.000 0.972 99 F CB 1.911 40.788 39.000 -0.205 0.000 1.150 99 F HN 0.278 nan 8.300 nan 0.000 0.467 100 L N 4.626 125.821 121.223 -0.045 0.000 2.442 100 L HA 0.542 4.881 4.340 -0.001 0.000 0.261 100 L C -1.600 175.166 176.870 -0.172 0.000 1.000 100 L CA -0.308 54.426 54.840 -0.176 0.000 0.882 100 L CB -0.040 41.779 42.059 -0.400 0.000 1.207 100 L HN 0.322 nan 8.230 nan 0.000 0.443 101 F N 5.201 125.232 119.950 0.134 0.000 2.371 101 F HA 0.718 5.244 4.527 -0.002 0.000 0.329 101 F C 0.216 176.103 175.800 0.145 0.000 1.107 101 F CA -0.052 57.972 58.000 0.040 0.000 1.137 101 F CB 1.026 39.970 39.000 -0.094 0.000 1.214 101 F HN 0.454 nan 8.300 nan 0.000 0.536 102 F N -0.244 119.746 119.950 0.065 0.000 2.807 102 F HA 0.686 5.212 4.527 -0.002 0.000 0.316 102 F C -2.152 173.649 175.800 0.001 0.000 1.162 102 F CA -1.514 56.486 58.000 -0.000 0.000 0.910 102 F CB 0.624 39.582 39.000 -0.069 0.000 1.314 102 F HN 0.144 nan 8.300 nan 0.000 0.454 103 I N 2.283 122.932 120.570 0.132 0.000 2.412 103 I HA 0.755 4.924 4.170 -0.001 0.000 0.296 103 I C -0.313 175.869 176.117 0.109 0.000 0.987 103 I CA -0.838 60.458 61.300 -0.007 0.000 1.180 103 I CB 1.652 39.600 38.000 -0.086 0.000 1.340 103 I HN 0.930 nan 8.210 nan 0.000 0.455 104 A N 7.631 130.477 122.820 0.042 0.000 2.331 104 A HA 0.890 5.209 4.320 -0.001 0.000 0.320 104 A C -0.758 176.938 177.584 0.186 0.000 1.138 104 A CA -0.441 51.684 52.037 0.147 0.000 0.790 104 A CB 0.635 19.688 19.000 0.087 0.000 1.206 104 A HN 0.590 nan 8.150 nan 0.000 0.470 105 I N 2.525 123.221 120.570 0.209 0.000 2.582 105 I HA 0.336 4.505 4.170 -0.001 0.000 0.292 105 I C -2.552 173.555 176.117 -0.017 0.000 1.066 105 I CA -2.470 58.910 61.300 0.133 0.000 1.053 105 I CB 2.772 40.784 38.000 0.020 0.000 1.241 105 I HN 0.379 nan 8.210 nan 0.000 0.421 106 P HA -0.032 nan 4.420 nan 0.000 0.265 106 P C 0.857 178.029 177.300 -0.212 0.000 1.187 106 P CA 0.359 63.185 63.100 -0.456 0.000 0.766 106 P CB 0.700 32.224 31.700 -0.294 0.000 0.820 107 G N 2.600 111.285 108.800 -0.192 0.000 2.446 107 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 107 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 107 G C 1.132 175.987 174.900 -0.076 0.000 1.168 107 G CA 0.569 45.612 45.100 -0.096 0.000 0.771 107 G HN 0.497 nan 8.290 nan 0.000 0.551 108 Q N 0.323 120.075 119.800 -0.080 0.000 2.425 108 Q HA 0.202 4.541 4.340 -0.001 0.000 0.213 108 Q C -0.331 175.638 176.000 -0.052 0.000 0.950 108 Q CA 0.002 55.771 55.803 -0.057 0.000 0.979 108 Q CB -0.475 28.233 28.738 -0.050 0.000 0.997 108 Q HN 0.216 nan 8.270 nan 0.000 0.509 109 V N -0.399 119.481 119.914 -0.058 0.000 2.962 109 V HA 0.615 4.735 4.120 -0.001 0.000 0.313 109 V C 0.270 176.336 176.094 -0.046 0.000 1.099 109 V CA -0.258 62.012 62.300 -0.049 0.000 0.971 109 V CB 2.020 33.813 31.823 -0.049 0.000 1.028 109 V HN 0.417 nan 8.190 nan 0.000 0.430 110 T N -1.161 113.366 114.554 -0.044 0.000 2.780 110 T HA 0.466 4.815 4.350 -0.001 0.000 0.263 110 T C 0.713 175.383 174.700 -0.050 0.000 0.993 110 T CA 0.178 62.250 62.100 -0.046 0.000 1.010 110 T CB 1.878 70.719 68.868 -0.044 0.000 1.642 110 T HN 0.691 nan 8.240 nan 0.000 0.587 111 E N -0.418 119.751 120.200 -0.053 0.000 2.094 111 E HA -0.025 4.324 4.350 -0.001 0.000 0.193 111 E C 2.153 178.709 176.600 -0.073 0.000 0.950 111 E CA 0.202 56.568 56.400 -0.057 0.000 0.842 111 E CB -0.072 29.598 29.700 -0.050 0.000 0.816 111 E HN 0.596 nan 8.360 nan 0.000 0.465 112 Q N 1.157 120.917 119.800 -0.066 0.000 2.181 112 Q HA -0.226 4.113 4.340 -0.001 0.000 0.205 112 Q C 1.923 177.878 176.000 -0.075 0.000 0.980 112 Q CA 1.902 57.661 55.803 -0.073 0.000 0.862 112 Q CB -0.133 28.573 28.738 -0.054 0.000 0.905 112 Q HN 0.324 nan 8.270 nan 0.000 0.429 113 Q N -1.320 118.444 119.800 -0.060 0.000 2.167 113 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 113 Q C 1.737 177.702 176.000 -0.058 0.000 0.970 113 Q CA 1.023 56.796 55.803 -0.050 0.000 0.855 113 Q CB 0.171 28.885 28.738 -0.040 0.000 0.911 113 Q HN 0.424 nan 8.270 nan 0.000 0.438 114 Q N 0.079 119.835 119.800 -0.073 0.000 2.020 114 Q HA -0.124 4.216 4.340 -0.001 0.000 0.198 114 Q C 2.230 178.155 176.000 -0.125 0.000 0.974 114 Q CA 0.820 56.575 55.803 -0.079 0.000 0.829 114 Q CB -0.352 28.338 28.738 -0.080 0.000 0.894 114 Q HN 0.301 nan 8.270 nan 0.000 0.433 115 L N 0.515 121.606 121.223 -0.219 0.000 2.034 115 L HA -0.184 4.155 4.340 -0.001 0.000 0.217 115 L C 1.347 178.085 176.870 -0.220 0.000 1.077 115 L CA 1.779 56.380 54.840 -0.398 0.000 0.769 115 L CB -0.482 41.319 42.059 -0.430 0.000 0.890 115 L HN 0.278 nan 8.230 nan 0.000 0.435 116 Q N -1.979 117.748 119.800 -0.121 0.000 2.350 116 Q HA 0.326 4.665 4.340 -0.001 0.000 0.255 116 Q C -0.209 175.772 176.000 -0.031 0.000 0.951 116 Q CA 0.278 56.048 55.803 -0.055 0.000 0.751 116 Q CB 1.333 30.047 28.738 -0.039 0.000 1.296 116 Q HN 0.082 nan 8.270 nan 0.000 0.453 117 T N 2.075 116.621 114.554 -0.013 0.000 3.339 117 T HA 0.156 4.505 4.350 -0.001 0.000 0.280 117 T C 0.177 174.883 174.700 0.010 0.000 0.857 117 T CA 0.596 62.694 62.100 -0.004 0.000 0.838 117 T CB 0.103 68.965 68.868 -0.009 0.000 1.241 117 T HN 0.831 nan 8.240 nan 0.000 0.713 118 R N -0.013 120.497 120.500 0.018 0.000 3.994 118 R HA -0.159 4.181 4.340 -0.001 0.000 0.403 118 R C 0.068 176.386 176.300 0.030 0.000 1.126 118 R CA 0.950 57.068 56.100 0.030 0.000 1.143 118 R CB -2.137 28.180 30.300 0.029 0.000 1.695 118 R HN 0.471 nan 8.270 nan 0.000 0.555 119 A N 1.600 124.436 122.820 0.026 0.000 2.328 119 A HA 0.421 4.740 4.320 -0.001 0.000 0.318 119 A C -0.400 177.205 177.584 0.035 0.000 1.347 119 A CA -0.561 51.496 52.037 0.034 0.000 0.842 119 A CB 0.711 19.731 19.000 0.034 0.000 1.148 119 A HN 0.173 nan 8.150 nan 0.000 0.499 120 N N 2.102 120.812 118.700 0.016 0.000 2.420 120 N HA 0.260 4.999 4.740 -0.001 0.000 0.262 120 N C 0.429 176.019 175.510 0.133 0.000 1.144 120 N CA 0.226 53.261 53.050 -0.024 0.000 0.952 120 N CB 1.218 39.496 38.487 -0.348 0.000 1.081 120 N HN 0.685 nan 8.380 nan 0.000 0.480 121 V N 0.185 120.197 119.914 0.163 0.000 3.166 121 V HA 0.355 4.474 4.120 -0.001 0.000 0.332 121 V C 0.295 176.537 176.094 0.247 0.000 1.434 121 V CA -0.451 61.987 62.300 0.230 0.000 1.121 121 V CB -0.341 31.556 31.823 0.123 0.000 1.062 121 V HN 0.406 nan 8.190 nan 0.000 0.489 122 T N 3.844 118.545 114.554 0.244 0.000 2.856 122 T HA 0.581 4.931 4.350 -0.001 0.000 0.292 122 T C -0.081 174.804 174.700 0.308 0.000 0.980 122 T CA -0.262 61.898 62.100 0.099 0.000 1.091 122 T CB 1.022 69.697 68.868 -0.323 0.000 0.936 122 T HN 0.410 nan 8.240 nan 0.000 0.503 123 R N 1.969 122.565 120.500 0.161 0.000 2.664 123 R HA 0.540 4.879 4.340 -0.001 0.000 0.286 123 R C -1.003 175.374 176.300 0.128 0.000 0.967 123 R CA -1.110 55.099 56.100 0.181 0.000 0.933 123 R CB 1.475 31.779 30.300 0.007 0.000 1.146 123 R HN 0.422 nan 8.270 nan 0.000 0.468 124 L N 1.827 123.144 121.223 0.155 0.000 2.272 124 L HA 0.454 4.793 4.340 -0.001 0.000 0.289 124 L C -1.022 175.682 176.870 -0.277 0.000 1.032 124 L CA -0.177 54.647 54.840 -0.026 0.000 0.810 124 L CB 0.906 42.902 42.059 -0.104 0.000 1.205 124 L HN 0.670 nan 8.230 nan 0.000 0.422 125 C N 3.565 122.553 119.300 -0.519 0.000 2.971 125 C HA 0.917 5.376 4.460 -0.001 0.000 0.310 125 C C -0.687 173.940 174.990 -0.605 0.000 1.285 125 C CA -0.667 57.935 59.018 -0.694 0.000 1.593 125 C CB 1.967 28.976 27.740 -1.219 0.000 2.076 125 C HN 0.893 nan 8.230 nan 0.000 0.472 126 Q N 0.207 119.827 119.800 -0.300 0.000 2.386 126 Q HA 0.774 5.113 4.340 -0.001 0.000 0.274 126 Q C -1.402 174.656 176.000 0.096 0.000 1.011 126 Q CA -0.679 55.079 55.803 -0.074 0.000 0.867 126 Q CB 1.496 30.231 28.738 -0.005 0.000 1.409 126 Q HN 0.828 nan 8.270 nan 0.000 0.395 127 V N -1.267 118.741 119.914 0.156 0.000 2.914 127 V HA 0.960 5.079 4.120 -0.001 0.000 0.314 127 V C -0.405 175.840 176.094 0.252 0.000 1.084 127 V CA -0.087 62.343 62.300 0.216 0.000 0.963 127 V CB 1.655 33.614 31.823 0.227 0.000 1.025 127 V HN 1.056 nan 8.190 nan 0.000 0.432 128 T N -0.219 114.461 114.554 0.211 0.000 2.908 128 T HA 0.800 5.149 4.350 -0.001 0.000 0.290 128 T C -0.342 174.338 174.700 -0.034 0.000 1.034 128 T CA -0.442 61.662 62.100 0.006 0.000 1.010 128 T CB 1.697 70.387 68.868 -0.296 0.000 1.068 128 T HN 1.387 nan 8.240 nan 0.000 0.481 129 S N 0.156 115.661 115.700 -0.325 0.000 2.547 129 S HA 0.571 5.040 4.470 -0.001 0.000 0.281 129 S C 0.523 174.892 174.600 -0.385 0.000 1.118 129 S CA -0.263 57.600 58.200 -0.562 0.000 0.947 129 S CB 1.451 63.852 63.200 -1.331 0.000 1.053 129 S HN 1.095 nan 8.310 nan 0.000 0.482 130 T N -0.153 114.207 114.554 -0.325 0.000 3.129 130 T HA 0.254 4.603 4.350 -0.001 0.000 0.267 130 T C -0.069 174.418 174.700 -0.355 0.000 1.018 130 T CA -0.072 61.868 62.100 -0.265 0.000 0.903 130 T CB -0.269 68.483 68.868 -0.193 0.000 1.067 130 T HN 0.608 nan 8.240 nan 0.000 0.549 131 D N 0.624 120.772 120.400 -0.419 0.000 2.891 131 D HA 0.087 4.726 4.640 -0.001 0.000 0.332 131 D C 0.006 176.035 176.300 -0.453 0.000 1.369 131 D CA -0.769 52.938 54.000 -0.488 0.000 0.827 131 D CB -0.897 39.726 40.800 -0.296 0.000 1.141 131 D HN 0.323 nan 8.370 nan 0.000 0.464 132 H N 0.057 119.020 119.070 -0.179 0.000 2.862 132 H HA -0.128 4.427 4.556 -0.002 0.000 0.290 132 H C 1.455 176.676 175.328 -0.178 0.000 1.211 132 H CA 1.089 57.045 56.048 -0.153 0.000 1.140 132 H CB -1.845 27.842 29.762 -0.125 0.000 1.341 132 H HN 0.720 nan 8.280 nan 0.000 0.392 133 G N -0.766 107.839 108.800 -0.325 0.000 2.176 133 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.253 133 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.253 133 G C 1.399 176.168 174.900 -0.219 0.000 0.979 133 G CA 0.641 45.512 45.100 -0.382 0.000 0.641 133 G HN 0.561 nan 8.290 nan 0.000 0.530 134 R N 0.361 120.734 120.500 -0.212 0.000 2.062 134 R HA 0.132 4.471 4.340 -0.001 0.000 0.231 134 R C 1.566 177.811 176.300 -0.092 0.000 1.136 134 R CA 1.778 57.826 56.100 -0.087 0.000 0.948 134 R CB -0.371 29.879 30.300 -0.083 0.000 0.845 134 R HN 0.668 nan 8.270 nan 0.000 0.430 135 T N -2.439 111.965 114.554 -0.251 0.000 2.907 135 T HA 0.502 4.851 4.350 -0.001 0.000 0.292 135 T C -1.136 173.333 174.700 -0.385 0.000 1.043 135 T CA -0.951 61.061 62.100 -0.147 0.000 1.003 135 T CB 1.715 70.537 68.868 -0.076 0.000 1.084 135 T HN 0.163 nan 8.240 nan 0.000 0.483 136 W N 0.831 122.133 121.300 0.005 0.000 2.799 136 W HA 0.654 5.313 4.660 -0.001 0.000 0.349 136 W C 0.599 177.115 176.519 -0.005 0.000 1.100 136 W CA -0.769 56.577 57.345 0.001 0.000 1.174 136 W CB 1.775 31.245 29.460 0.016 0.000 1.427 136 W HN 0.998 nan 8.180 nan 0.000 0.547 137 S N 0.061 115.899 115.700 0.229 0.000 2.661 137 S HA 0.558 5.027 4.470 -0.001 0.000 0.265 137 S C 0.133 174.823 174.600 0.149 0.000 1.225 137 S CA -0.769 57.509 58.200 0.130 0.000 0.986 137 S CB 0.730 63.977 63.200 0.078 0.000 1.008 137 S HN 0.333 nan 8.310 nan 0.000 0.565 138 S N 3.046 118.806 115.700 0.101 0.000 2.585 138 S HA 0.345 4.814 4.470 -0.001 0.000 0.273 138 S C -2.097 172.566 174.600 0.105 0.000 1.339 138 S CA -0.762 57.493 58.200 0.092 0.000 1.028 138 S CB -0.025 63.213 63.200 0.063 0.000 0.906 138 S HN 0.695 nan 8.310 nan 0.000 0.528 139 P HA 0.202 nan 4.420 nan 0.000 0.272 139 P C -1.005 176.332 177.300 0.062 0.000 1.223 139 P CA -0.260 62.916 63.100 0.126 0.000 0.784 139 P CB 0.560 32.370 31.700 0.183 0.000 0.923 140 R N 1.343 121.865 120.500 0.037 0.000 2.393 140 R HA 0.258 4.598 4.340 -0.001 0.000 0.315 140 R C -0.245 176.025 176.300 -0.051 0.000 0.952 140 R CA -0.638 55.473 56.100 0.019 0.000 0.842 140 R CB 1.068 31.412 30.300 0.073 0.000 1.163 140 R HN 0.427 nan 8.270 nan 0.000 0.450 141 D N 4.747 125.109 120.400 -0.062 0.000 2.393 141 D HA 0.060 4.699 4.640 -0.001 0.000 0.232 141 D C 0.681 176.924 176.300 -0.095 0.000 1.192 141 D CA -0.092 53.844 54.000 -0.108 0.000 0.882 141 D CB 0.875 41.615 40.800 -0.099 0.000 1.038 141 D HN 0.513 nan 8.370 nan 0.000 0.499 142 L N 2.691 123.831 121.223 -0.138 0.000 2.558 142 L HA -0.013 4.326 4.340 -0.001 0.000 0.225 142 L C 2.169 178.935 176.870 -0.172 0.000 1.128 142 L CA 0.012 54.763 54.840 -0.148 0.000 0.868 142 L CB -0.346 41.542 42.059 -0.285 0.000 1.006 142 L HN 0.295 nan 8.230 nan 0.000 0.454 143 T N 0.108 114.569 114.554 -0.155 0.000 2.531 143 T HA -0.292 4.057 4.350 -0.001 0.000 0.261 143 T C 1.424 176.008 174.700 -0.193 0.000 1.141 143 T CA 2.163 64.175 62.100 -0.147 0.000 1.176 143 T CB -0.317 68.473 68.868 -0.130 0.000 0.863 143 T HN 0.418 nan 8.240 nan 0.000 0.424 144 D N 1.241 121.520 120.400 -0.202 0.000 2.097 144 D HA -0.053 4.586 4.640 -0.001 0.000 0.195 144 D C 2.414 178.649 176.300 -0.109 0.000 0.989 144 D CA 1.402 55.290 54.000 -0.187 0.000 0.827 144 D CB -0.304 40.400 40.800 -0.160 0.000 0.966 144 D HN 0.461 nan 8.370 nan 0.000 0.456 145 A N 1.022 123.802 122.820 -0.066 0.000 1.968 145 A HA 0.088 4.407 4.320 -0.001 0.000 0.217 145 A C 2.244 179.840 177.584 0.020 0.000 1.169 145 A CA 1.675 53.705 52.037 -0.013 0.000 0.638 145 A CB -0.268 18.746 19.000 0.024 0.000 0.812 145 A HN 0.244 nan 8.150 nan 0.000 0.446 146 A N -0.913 121.907 122.820 0.000 0.000 2.081 146 A HA 0.298 4.617 4.320 -0.001 0.000 0.214 146 A C 1.916 179.590 177.584 0.150 0.000 1.158 146 A CA 1.041 53.121 52.037 0.070 0.000 0.724 146 A CB -0.238 18.661 19.000 -0.167 0.000 0.826 146 A HN 0.456 nan 8.150 nan 0.000 0.463 147 I N -2.086 118.499 120.570 0.025 0.000 3.194 147 I HA 0.305 4.475 4.170 -0.001 0.000 0.271 147 I C 1.534 177.566 176.117 -0.141 0.000 1.150 147 I CA 0.722 61.999 61.300 -0.038 0.000 1.440 147 I CB -0.320 37.600 38.000 -0.133 0.000 1.276 147 I HN 0.454 nan 8.210 nan 0.000 0.457 148 G N 1.731 110.455 108.800 -0.127 0.000 2.642 148 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.231 148 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.231 148 G C -1.992 172.823 174.900 -0.142 0.000 1.338 148 G CA -0.170 44.859 45.100 -0.119 0.000 0.883 148 G HN 0.090 nan 8.290 nan 0.000 0.570 149 P HA -0.059 nan 4.420 nan 0.000 0.217 149 P C 2.304 179.501 177.300 -0.172 0.000 1.151 149 P CA 3.170 66.209 63.100 -0.102 0.000 0.849 149 P CB -0.271 31.387 31.700 -0.070 0.000 0.787 150 A N -1.328 121.332 122.820 -0.268 0.000 1.997 150 A HA -0.292 4.027 4.320 -0.001 0.000 0.221 150 A C 2.150 179.210 177.584 -0.872 0.000 1.172 150 A CA 1.746 53.502 52.037 -0.470 0.000 0.645 150 A CB -2.002 16.707 19.000 -0.485 0.000 0.813 150 A HN 0.194 nan 8.150 nan 0.000 0.454 151 Y N 1.396 121.185 120.300 -0.850 0.000 2.132 151 Y HA -0.382 4.168 4.550 -0.001 0.000 0.280 151 Y C 2.483 178.158 175.900 -0.375 0.000 1.193 151 Y CA 2.719 60.395 58.100 -0.708 0.000 1.157 151 Y CB -0.262 37.986 38.460 -0.353 0.000 0.966 151 Y HN 0.543 nan 8.280 nan 0.000 0.511 152 R N 0.156 120.567 120.500 -0.150 0.000 2.280 152 R HA -0.050 4.289 4.340 -0.001 0.000 0.207 152 R C 1.259 177.510 176.300 -0.082 0.000 1.043 152 R CA 1.637 57.693 56.100 -0.072 0.000 1.006 152 R CB -0.490 29.814 30.300 0.006 0.000 0.885 152 R HN 0.400 nan 8.270 nan 0.000 0.467 153 E N -0.208 119.905 120.200 -0.145 0.000 2.479 153 E HA 0.033 4.382 4.350 -0.001 0.000 0.193 153 E C -0.669 176.096 176.600 0.276 0.000 1.049 153 E CA -0.161 56.258 56.400 0.031 0.000 0.870 153 E CB 0.237 29.969 29.700 0.053 0.000 0.944 153 E HN 0.266 nan 8.360 nan 0.000 0.492 154 W N 0.291 121.564 121.300 -0.046 0.000 2.689 154 W HA 0.197 4.857 4.660 -0.001 0.000 0.340 154 W C 1.343 177.842 176.519 -0.032 0.000 1.060 154 W CA -1.583 55.753 57.345 -0.015 0.000 1.218 154 W CB 0.880 30.352 29.460 0.021 0.000 1.410 154 W HN -0.147 nan 8.180 nan 0.000 0.528 155 S N -0.351 115.505 115.700 0.259 0.000 2.425 155 S HA 0.134 4.603 4.470 -0.001 0.000 0.225 155 S C 0.661 175.339 174.600 0.130 0.000 1.024 155 S CA 1.281 59.561 58.200 0.133 0.000 0.951 155 S CB 0.282 63.532 63.200 0.084 0.000 0.796 155 S HN 0.580 nan 8.310 nan 0.000 0.498 156 T N -0.389 114.309 114.554 0.240 0.000 2.654 156 T HA 0.532 4.881 4.350 -0.001 0.000 0.303 156 T C -2.159 172.759 174.700 0.363 0.000 1.656 156 T CA -0.410 61.818 62.100 0.213 0.000 0.971 156 T CB 0.520 69.408 68.868 0.034 0.000 1.811 156 T HN 0.793 nan 8.240 nan 0.000 0.483 157 F N -0.779 119.235 119.950 0.108 0.000 2.926 157 F HA 0.915 5.442 4.527 -0.001 0.000 0.321 157 F C -1.382 174.305 175.800 -0.189 0.000 1.168 157 F CA -0.538 57.416 58.000 -0.077 0.000 0.890 157 F CB 0.731 39.792 39.000 0.101 0.000 1.357 157 F HN 1.072 nan 8.300 nan 0.000 0.468 158 A N 0.283 122.918 122.820 -0.307 0.000 2.566 158 A HA 0.776 5.095 4.320 -0.001 0.000 0.290 158 A C -1.702 175.812 177.584 -0.116 0.000 1.071 158 A CA -0.285 51.576 52.037 -0.294 0.000 0.658 158 A CB 1.098 19.882 19.000 -0.360 0.000 1.285 158 A HN 2.169 nan 8.150 nan 0.000 0.427 159 V N -1.034 118.884 119.914 0.008 0.000 2.628 159 V HA 0.916 5.035 4.120 -0.001 0.000 0.306 159 V C 0.929 177.064 176.094 0.069 0.000 1.045 159 V CA 0.391 62.711 62.300 0.032 0.000 0.905 159 V CB 0.452 32.303 31.823 0.046 0.000 0.997 159 V HN 2.955 nan 8.190 nan 0.000 0.436 160 G N 3.949 112.782 108.800 0.054 0.000 2.591 160 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.298 160 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.298 160 G C -1.958 173.034 174.900 0.154 0.000 1.195 160 G CA 0.262 45.411 45.100 0.080 0.000 0.989 160 G HN 1.030 nan 8.290 nan 0.000 0.551 161 P HA 0.507 nan 4.420 nan 0.000 0.274 161 P C 0.503 177.890 177.300 0.146 0.000 1.256 161 P CA 1.599 64.802 63.100 0.172 0.000 0.795 161 P CB 0.985 32.828 31.700 0.238 0.000 1.038 162 G N -0.367 108.533 108.800 0.165 0.000 2.479 162 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.686 162 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.686 162 G C -0.458 174.543 174.900 0.169 0.000 1.295 162 G CA -0.563 44.657 45.100 0.200 0.000 0.922 162 G HN 1.052 nan 8.290 nan 0.000 0.582 163 H N -0.807 118.401 119.070 0.230 0.000 3.016 163 H HA 0.409 4.964 4.556 -0.002 0.000 0.345 163 H C 0.805 176.270 175.328 0.228 0.000 1.066 163 H CA 0.755 56.955 56.048 0.254 0.000 1.390 163 H CB -0.064 29.867 29.762 0.281 0.000 1.344 163 H HN 0.711 nan 8.280 nan 0.000 0.605 164 C N 2.482 121.908 119.300 0.210 0.000 2.536 164 C HA 0.596 5.055 4.460 -0.001 0.000 0.385 164 C C 0.466 175.589 174.990 0.222 0.000 2.253 164 C CA -0.658 58.447 59.018 0.144 0.000 1.823 164 C CB 0.792 28.668 27.740 0.226 0.000 2.000 164 C HN 0.796 nan 8.230 nan 0.000 0.444 165 L N 0.870 122.209 121.223 0.193 0.000 2.422 165 L HA 0.528 4.867 4.340 -0.001 0.000 0.264 165 L C -0.874 176.103 176.870 0.178 0.000 0.984 165 L CA -0.022 54.945 54.840 0.211 0.000 0.819 165 L CB 1.659 43.823 42.059 0.176 0.000 1.330 165 L HN 0.794 nan 8.230 nan 0.000 0.410 166 Q N 3.896 123.805 119.800 0.181 0.000 2.330 166 Q HA 0.620 4.959 4.340 -0.001 0.000 0.269 166 Q C -1.622 174.450 176.000 0.120 0.000 1.022 166 Q CA -0.662 55.222 55.803 0.135 0.000 0.796 166 Q CB 1.521 30.345 28.738 0.144 0.000 1.271 166 Q HN 0.787 nan 8.270 nan 0.000 0.450 167 L N 2.914 124.188 121.223 0.085 0.000 2.456 167 L HA 0.327 4.666 4.340 -0.001 0.000 0.257 167 L C 0.367 177.277 176.870 0.067 0.000 1.162 167 L CA -0.496 54.390 54.840 0.075 0.000 0.808 167 L CB 0.519 42.611 42.059 0.056 0.000 1.136 167 L HN 0.724 nan 8.230 nan 0.000 0.466 168 N N -0.020 118.717 118.700 0.062 0.000 2.327 168 N HA -0.014 4.726 4.740 -0.001 0.000 0.231 168 N C -0.359 175.172 175.510 0.035 0.000 1.130 168 N CA -0.203 52.880 53.050 0.055 0.000 0.845 168 N CB -0.082 38.440 38.487 0.057 0.000 1.073 168 N HN 0.568 nan 8.380 nan 0.000 0.496 169 D N -0.873 119.542 120.400 0.025 0.000 2.393 169 D HA 0.011 4.650 4.640 -0.001 0.000 0.246 169 D C 1.291 177.591 176.300 0.001 0.000 1.275 169 D CA -0.394 53.609 54.000 0.004 0.000 0.979 169 D CB 1.005 41.800 40.800 -0.009 0.000 1.101 169 D HN -0.168 nan 8.370 nan 0.000 0.505 170 R N 0.191 120.682 120.500 -0.016 0.000 2.096 170 R HA -0.113 4.226 4.340 -0.001 0.000 0.240 170 R C 2.026 178.321 176.300 -0.010 0.000 1.139 170 R CA 2.299 58.391 56.100 -0.013 0.000 0.952 170 R CB -1.050 29.232 30.300 -0.030 0.000 0.854 170 R HN 0.602 nan 8.270 nan 0.000 0.436 171 A N -0.162 122.635 122.820 -0.038 0.000 2.238 171 A HA 0.109 4.428 4.320 -0.001 0.000 0.208 171 A C -0.065 177.459 177.584 -0.099 0.000 1.177 171 A CA 0.221 52.219 52.037 -0.065 0.000 0.804 171 A CB -0.074 18.873 19.000 -0.088 0.000 0.823 171 A HN 0.352 nan 8.150 nan 0.000 0.482 172 R N 0.204 120.688 120.500 -0.026 0.000 3.333 172 R HA -0.117 4.223 4.340 -0.001 0.000 0.256 172 R C -0.385 175.871 176.300 -0.074 0.000 1.010 172 R CA 0.777 56.879 56.100 0.004 0.000 0.680 172 R CB -2.859 27.503 30.300 0.105 0.000 1.102 172 R HN 0.508 nan 8.270 nan 0.000 0.440 173 S N 0.638 116.305 115.700 -0.056 0.000 2.558 173 S HA 0.142 4.611 4.470 -0.001 0.000 0.287 173 S C 0.652 175.207 174.600 -0.075 0.000 1.321 173 S CA -0.283 57.873 58.200 -0.075 0.000 1.048 173 S CB 0.604 63.843 63.200 0.065 0.000 0.844 173 S HN 0.175 nan 8.310 nan 0.000 0.512 174 L N 3.209 124.333 121.223 -0.165 0.000 2.275 174 L HA 0.470 4.809 4.340 -0.001 0.000 0.288 174 L C -0.410 176.466 176.870 0.010 0.000 1.046 174 L CA -0.017 54.775 54.840 -0.080 0.000 0.805 174 L CB 1.293 43.241 42.059 -0.186 0.000 1.193 174 L HN 0.392 nan 8.230 nan 0.000 0.426 175 V N 4.456 124.422 119.914 0.086 0.000 2.407 175 V HA 0.481 4.600 4.120 -0.001 0.000 0.291 175 V C -0.351 175.788 176.094 0.074 0.000 1.018 175 V CA -0.760 61.603 62.300 0.106 0.000 0.842 175 V CB 1.959 33.844 31.823 0.104 0.000 0.996 175 V HN 0.377 nan 8.190 nan 0.000 0.426 176 V N 7.752 127.688 119.914 0.036 0.000 2.334 176 V HA 0.377 4.496 4.120 -0.001 0.000 0.281 176 V C -1.994 174.053 176.094 -0.078 0.000 1.016 176 V CA -1.787 60.447 62.300 -0.110 0.000 0.832 176 V CB 1.796 33.353 31.823 -0.442 0.000 0.999 176 V HN 0.710 nan 8.190 nan 0.000 0.439 177 P HA 0.472 nan 4.420 nan 0.000 0.271 177 P C -0.484 176.680 177.300 -0.227 0.000 1.218 177 P CA 0.216 63.225 63.100 -0.151 0.000 0.780 177 P CB 1.812 33.450 31.700 -0.104 0.000 0.901 178 A N 2.361 124.923 122.820 -0.431 0.000 2.467 178 A HA 0.777 5.096 4.320 -0.001 0.000 0.301 178 A C -1.927 175.308 177.584 -0.583 0.000 1.126 178 A CA -0.585 51.127 52.037 -0.543 0.000 0.632 178 A CB 0.979 19.487 19.000 -0.821 0.000 1.331 178 A HN 0.663 nan 8.150 nan 0.000 0.482 179 Y N -2.958 117.042 120.300 -0.500 0.000 2.592 179 Y HA 0.830 5.379 4.550 -0.001 0.000 0.334 179 Y C -0.648 175.262 175.900 0.016 0.000 1.136 179 Y CA -0.698 57.274 58.100 -0.213 0.000 1.042 179 Y CB 0.928 39.255 38.460 -0.221 0.000 1.325 179 Y HN 1.734 nan 8.280 nan 0.000 0.457 180 A N 1.928 124.752 122.820 0.007 0.000 2.414 180 A HA 0.713 5.032 4.320 -0.001 0.000 0.306 180 A C -2.350 174.968 177.584 -0.444 0.000 1.054 180 A CA -0.850 50.951 52.037 -0.393 0.000 0.724 180 A CB 0.925 19.073 19.000 -1.420 0.000 1.267 180 A HN 0.732 nan 8.150 nan 0.000 0.418 181 Y N 2.425 122.609 120.300 -0.192 0.000 2.425 181 Y HA 0.374 4.923 4.550 -0.002 0.000 0.347 181 Y C 1.073 176.883 175.900 -0.150 0.000 0.976 181 Y CA 0.239 58.276 58.100 -0.105 0.000 1.190 181 Y CB 0.870 39.341 38.460 0.018 0.000 1.136 181 Y HN 0.619 nan 8.280 nan 0.000 0.517 182 R N 2.874 123.300 120.500 -0.125 0.000 2.460 182 R HA 0.456 4.795 4.340 -0.001 0.000 0.303 182 R C -0.965 175.340 176.300 0.009 0.000 0.968 182 R CA -1.081 54.993 56.100 -0.044 0.000 0.889 182 R CB 1.305 31.478 30.300 -0.213 0.000 1.123 182 R HN 0.511 nan 8.270 nan 0.000 0.455 183 K N 3.459 123.900 120.400 0.068 0.000 2.127 183 K HA 0.138 4.457 4.320 -0.001 0.000 0.261 183 K C 0.735 177.306 176.600 -0.047 0.000 1.129 183 K CA -0.059 56.245 56.287 0.029 0.000 0.993 183 K CB 0.414 32.948 32.500 0.058 0.000 1.410 183 K HN 0.529 nan 8.250 nan 0.000 0.380 184 L N 1.601 122.727 121.223 -0.161 0.000 2.249 184 L HA 0.030 4.369 4.340 -0.001 0.000 0.207 184 L C 0.828 177.340 176.870 -0.597 0.000 1.090 184 L CA 0.715 55.304 54.840 -0.418 0.000 0.802 184 L CB -0.058 41.644 42.059 -0.595 0.000 0.947 184 L HN 0.585 nan 8.230 nan 0.000 0.453 188 Q N 2.261 122.110 119.800 0.082 0.000 2.495 188 Q HA 0.625 4.965 4.340 -0.001 0.000 0.283 188 Q C -0.543 175.499 176.000 0.070 0.000 1.097 188 Q CA -1.106 54.742 55.803 0.075 0.000 0.836 188 Q CB 1.605 30.401 28.738 0.097 0.000 1.426 188 Q HN 0.437 nan 8.270 nan 0.000 0.459 189 R N -0.512 120.029 120.500 0.067 0.000 2.641 189 R HA 0.387 4.726 4.340 -0.001 0.000 0.269 189 R C -2.416 173.938 176.300 0.091 0.000 1.074 189 R CA -1.488 54.651 56.100 0.066 0.000 1.133 189 R CB -0.705 29.632 30.300 0.062 0.000 1.029 189 R HN 0.306 nan 8.270 nan 0.000 0.488 190 P HA 0.011 nan 4.420 nan 0.000 0.266 190 P C -0.617 176.818 177.300 0.225 0.000 1.195 190 P CA 0.367 63.560 63.100 0.155 0.000 0.768 190 P CB 0.437 32.256 31.700 0.199 0.000 0.838 191 I N 5.373 125.993 120.570 0.085 0.000 2.354 191 I HA 0.314 4.483 4.170 -0.001 0.000 0.292 191 I C -2.084 173.896 176.117 -0.229 0.000 0.989 191 I CA -2.702 58.589 61.300 -0.015 0.000 1.188 191 I CB 2.128 40.089 38.000 -0.064 0.000 1.342 191 I HN 0.152 nan 8.210 nan 0.000 0.457 192 P HA 0.217 nan 4.420 nan 0.000 0.285 192 P C -0.935 176.087 177.300 -0.463 0.000 1.259 192 P CA -0.350 62.342 63.100 -0.681 0.000 0.794 192 P CB 1.424 32.505 31.700 -1.032 0.000 0.940 193 S N 1.220 116.666 115.700 -0.423 0.000 2.571 193 S HA 0.606 5.075 4.470 -0.001 0.000 0.284 193 S C -0.192 174.426 174.600 0.030 0.000 1.128 193 S CA -0.506 57.528 58.200 -0.277 0.000 0.970 193 S CB 1.556 64.451 63.200 -0.508 0.000 1.039 193 S HN 0.639 nan 8.310 nan 0.000 0.485 194 A N 2.556 125.395 122.820 0.031 0.000 2.332 194 A HA 0.898 5.217 4.320 -0.001 0.000 0.258 194 A C -0.337 177.379 177.584 0.220 0.000 1.087 194 A CA -0.110 51.953 52.037 0.043 0.000 0.802 194 A CB -0.118 18.792 19.000 -0.150 0.000 1.042 194 A HN 1.145 nan 8.150 nan 0.000 0.489 195 F N -1.987 117.913 119.950 -0.083 0.000 2.978 195 F HA 0.604 5.130 4.527 -0.001 0.000 0.324 195 F C -1.341 174.353 175.800 -0.176 0.000 1.157 195 F CA -1.530 56.383 58.000 -0.145 0.000 0.879 195 F CB 0.363 39.180 39.000 -0.306 0.000 1.364 195 F HN 0.556 nan 8.300 nan 0.000 0.465 196 C N 1.486 120.805 119.300 0.032 0.000 2.498 196 C HA 0.719 5.178 4.460 -0.001 0.000 0.316 196 C C -0.935 174.061 174.990 0.010 0.000 1.209 196 C CA -0.598 58.386 59.018 -0.058 0.000 1.518 196 C CB 1.052 28.891 27.740 0.165 0.000 2.147 196 C HN 0.611 nan 8.230 nan 0.000 0.483 197 F N 2.914 122.902 119.950 0.063 0.000 2.396 197 F HA 0.634 5.160 4.527 -0.002 0.000 0.343 197 F C 0.095 176.013 175.800 0.197 0.000 1.104 197 F CA -0.298 57.783 58.000 0.135 0.000 1.161 197 F CB 0.729 39.683 39.000 -0.077 0.000 1.146 197 F HN 0.166 nan 8.300 nan 0.000 0.522 198 L N 2.324 123.770 121.223 0.372 0.000 2.362 198 L HA 0.580 4.919 4.340 -0.001 0.000 0.271 198 L C -0.361 176.348 176.870 -0.269 0.000 1.002 198 L CA -0.573 54.296 54.840 0.049 0.000 0.818 198 L CB 1.950 43.937 42.059 -0.120 0.000 1.298 198 L HN 0.505 nan 8.230 nan 0.000 0.420 199 S N 0.465 115.760 115.700 -0.675 0.000 2.614 199 S HA 0.506 4.975 4.470 -0.001 0.000 0.288 199 S C -0.188 173.954 174.600 -0.762 0.000 1.137 199 S CA -0.505 57.083 58.200 -1.021 0.000 0.992 199 S CB 0.553 62.669 63.200 -1.806 0.000 1.026 199 S HN 0.676 nan 8.310 nan 0.000 0.486 200 H N 2.890 121.741 119.070 -0.365 0.000 2.652 200 H HA 0.213 4.768 4.556 -0.001 0.000 0.274 200 H C -0.331 174.792 175.328 -0.341 0.000 1.021 200 H CA 0.155 56.025 56.048 -0.297 0.000 1.187 200 H CB 0.335 29.981 29.762 -0.194 0.000 1.505 200 H HN 0.698 nan 8.280 nan 0.000 0.530 201 D N -0.484 119.750 120.400 -0.277 0.000 2.892 201 D HA 0.032 4.671 4.640 -0.001 0.000 0.291 201 D C -0.232 175.993 176.300 -0.126 0.000 1.341 201 D CA -0.643 53.245 54.000 -0.188 0.000 0.844 201 D CB -0.631 40.119 40.800 -0.084 0.000 1.093 201 D HN 0.084 nan 8.370 nan 0.000 0.480 202 H N 0.272 119.270 119.070 -0.120 0.000 2.756 202 H HA -0.133 4.422 4.556 -0.002 0.000 0.315 202 H C 1.451 176.796 175.328 0.027 0.000 1.210 202 H CA 0.983 57.012 56.048 -0.031 0.000 1.150 202 H CB -1.560 28.247 29.762 0.075 0.000 1.463 202 H HN 0.708 nan 8.280 nan 0.000 0.427 203 G N -0.552 108.095 108.800 -0.255 0.000 2.159 203 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.256 203 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.256 203 G C 1.215 176.142 174.900 0.045 0.000 0.977 203 G CA 0.998 46.023 45.100 -0.125 0.000 0.652 203 G HN 0.540 nan 8.290 nan 0.000 0.531 204 R N 1.021 121.480 120.500 -0.069 0.000 2.061 204 R HA 0.172 4.511 4.340 -0.001 0.000 0.230 204 R C 1.877 178.154 176.300 -0.038 0.000 1.140 204 R CA 2.336 58.444 56.100 0.012 0.000 0.940 204 R CB -0.430 29.872 30.300 0.003 0.000 0.839 204 R HN 0.770 nan 8.270 nan 0.000 0.429 205 T N -3.386 111.037 114.554 -0.219 0.000 2.916 205 T HA 0.596 4.945 4.350 -0.001 0.000 0.292 205 T C -1.004 173.444 174.700 -0.420 0.000 1.055 205 T CA -0.886 61.123 62.100 -0.151 0.000 1.009 205 T CB 1.574 70.397 68.868 -0.075 0.000 1.118 205 T HN 0.193 nan 8.240 nan 0.000 0.497 206 W N 0.149 121.422 121.300 -0.046 0.000 2.864 206 W HA 0.765 5.424 4.660 -0.001 0.000 0.343 206 W C -0.360 176.142 176.519 -0.028 0.000 1.109 206 W CA -0.886 56.422 57.345 -0.061 0.000 1.192 206 W CB 2.320 31.733 29.460 -0.078 0.000 1.426 206 W HN 1.067 nan 8.180 nan 0.000 0.529 207 A N 2.022 124.983 122.820 0.236 0.000 2.435 207 A HA 0.820 5.139 4.320 -0.001 0.000 0.304 207 A C -1.302 176.405 177.584 0.205 0.000 1.064 207 A CA -1.113 51.005 52.037 0.135 0.000 0.727 207 A CB 1.644 20.646 19.000 0.003 0.000 1.284 207 A HN 0.697 nan 8.150 nan 0.000 0.415 208 R N 1.561 122.107 120.500 0.077 0.000 2.229 208 R HA 0.488 4.827 4.340 -0.001 0.000 0.328 208 R C 0.507 176.655 176.300 -0.253 0.000 1.009 208 R CA 0.162 56.205 56.100 -0.095 0.000 0.864 208 R CB 0.794 30.971 30.300 -0.206 0.000 1.085 208 R HN 0.942 nan 8.270 nan 0.000 0.453 209 G N 2.185 110.861 108.800 -0.205 0.000 2.599 209 G HA2 0.098 4.057 3.960 -0.001 0.000 0.264 209 G HA3 0.098 4.057 3.960 -0.001 0.000 0.264 209 G C -0.751 173.930 174.900 -0.366 0.000 1.200 209 G CA -0.514 44.440 45.100 -0.243 0.000 0.896 209 G HN 0.747 nan 8.290 nan 0.000 0.536 210 H N -0.969 118.040 119.070 -0.102 0.000 2.629 210 H HA 0.257 4.812 4.556 -0.002 0.000 0.357 210 H C -0.177 175.123 175.328 -0.046 0.000 1.121 210 H CA -0.335 55.626 56.048 -0.146 0.000 1.406 210 H CB 0.782 30.533 29.762 -0.019 0.000 1.456 210 H HN 0.252 nan 8.280 nan 0.000 0.579 211 F N 1.237 121.298 119.950 0.186 0.000 2.496 211 F HA 0.073 4.599 4.527 -0.001 0.000 0.344 211 F C 0.929 176.800 175.800 0.119 0.000 1.155 211 F CA -0.415 57.656 58.000 0.119 0.000 1.302 211 F CB 0.272 39.285 39.000 0.022 0.000 1.159 211 F HN 0.290 nan 8.300 nan 0.000 0.595 212 V N 0.284 120.364 119.914 0.277 0.000 3.503 212 V HA 0.848 4.967 4.120 -0.001 0.000 0.294 212 V C 0.452 176.590 176.094 0.073 0.000 1.102 212 V CA -1.135 61.241 62.300 0.126 0.000 0.979 212 V CB 0.480 32.280 31.823 -0.038 0.000 1.240 212 V HN 0.990 nan 8.190 nan 0.000 0.444 213 A N 0.182 123.012 122.820 0.017 0.000 2.536 213 A HA 0.198 4.517 4.320 -0.001 0.000 0.234 213 A C 0.513 178.057 177.584 -0.068 0.000 1.076 213 A CA 0.129 52.155 52.037 -0.017 0.000 0.769 213 A CB -0.605 18.378 19.000 -0.029 0.000 1.020 213 A HN 0.933 nan 8.150 nan 0.000 0.508 214 Q N -0.071 119.681 119.800 -0.081 0.000 2.524 214 Q HA 0.167 4.506 4.340 -0.001 0.000 0.246 214 Q C -0.473 175.437 176.000 -0.150 0.000 1.063 214 Q CA 0.340 56.064 55.803 -0.132 0.000 0.945 214 Q CB 0.253 28.932 28.738 -0.098 0.000 1.292 214 Q HN 0.735 nan 8.270 nan 0.000 0.518 215 D N 0.700 120.976 120.400 -0.205 0.000 2.716 215 D HA -0.121 4.518 4.640 -0.001 0.000 0.239 215 D C -0.946 175.158 176.300 -0.328 0.000 1.125 215 D CA 1.382 55.221 54.000 -0.268 0.000 0.681 215 D CB -1.345 39.365 40.800 -0.149 0.000 1.070 215 D HN 0.677 nan 8.370 nan 0.000 0.432 216 T N -1.945 112.401 114.554 -0.346 0.000 2.921 216 T HA 0.668 5.017 4.350 -0.001 0.000 0.297 216 T C 0.266 174.713 174.700 -0.422 0.000 1.013 216 T CA -0.928 60.973 62.100 -0.331 0.000 0.990 216 T CB 2.465 71.194 68.868 -0.232 0.000 1.023 216 T HN -0.049 nan 8.240 nan 0.000 0.447 217 L N 0.888 121.803 121.223 -0.512 0.000 2.760 217 L HA 0.560 4.899 4.340 -0.001 0.000 0.213 217 L C 0.583 177.001 176.870 -0.754 0.000 2.003 217 L CA -0.982 53.338 54.840 -0.866 0.000 2.737 217 L CB -0.516 41.023 42.059 -0.866 0.000 2.794 217 L HN 0.707 nan 8.230 nan 0.000 0.633 218 E N 0.464 120.136 120.200 -0.880 0.000 2.708 218 E HA 0.129 4.478 4.350 -0.001 0.000 0.260 218 E C -0.595 175.890 176.600 -0.190 0.000 0.937 218 E CA 0.330 56.546 56.400 -0.305 0.000 0.953 218 E CB -0.011 29.581 29.700 -0.180 0.000 0.915 218 E HN 0.554 nan 8.360 nan 0.000 0.487 219 C N 1.290 120.533 119.300 -0.096 0.000 3.285 219 C HA 0.678 5.137 4.460 -0.001 0.000 0.320 219 C C -0.963 173.982 174.990 -0.075 0.000 1.411 219 C CA -0.859 58.093 59.018 -0.111 0.000 1.429 219 C CB 1.494 29.133 27.740 -0.169 0.000 1.812 219 C HN 0.783 nan 8.230 nan 0.000 0.454 220 Q N 0.220 119.983 119.800 -0.062 0.000 2.416 220 Q HA 0.741 5.080 4.340 -0.001 0.000 0.281 220 Q C -1.149 174.844 176.000 -0.011 0.000 1.067 220 Q CA -0.684 55.087 55.803 -0.053 0.000 0.809 220 Q CB 2.751 31.472 28.738 -0.027 0.000 1.418 220 Q HN 1.058 nan 8.270 nan 0.000 0.411 221 V N -2.257 117.666 119.914 0.015 0.000 3.001 221 V HA 1.060 5.179 4.120 -0.001 0.000 0.314 221 V C -1.073 175.118 176.094 0.162 0.000 1.099 221 V CA -0.704 61.654 62.300 0.097 0.000 0.989 221 V CB 1.604 33.503 31.823 0.127 0.000 1.040 221 V HN 0.881 nan 8.190 nan 0.000 0.434 222 A N 1.745 124.679 122.820 0.190 0.000 2.556 222 A HA 0.829 5.148 4.320 -0.001 0.000 0.294 222 A C -0.869 176.819 177.584 0.173 0.000 1.091 222 A CA -0.644 51.521 52.037 0.214 0.000 0.704 222 A CB 1.944 21.088 19.000 0.241 0.000 1.300 222 A HN 1.074 nan 8.150 nan 0.000 0.406 223 E N 0.761 121.056 120.200 0.158 0.000 2.179 223 E HA 0.601 4.950 4.350 -0.001 0.000 0.275 223 E C -1.600 175.057 176.600 0.095 0.000 0.945 223 E CA -0.473 55.998 56.400 0.118 0.000 0.792 223 E CB 1.597 31.363 29.700 0.110 0.000 1.125 223 E HN 0.399 nan 8.360 nan 0.000 0.397 224 V N 5.529 125.484 119.914 0.069 0.000 2.495 224 V HA 0.178 4.297 4.120 -0.001 0.000 0.298 224 V C -0.239 175.873 176.094 0.031 0.000 1.031 224 V CA -0.458 61.868 62.300 0.043 0.000 0.871 224 V CB 1.187 33.026 31.823 0.026 0.000 0.988 224 V HN 1.027 nan 8.190 nan 0.000 0.432 230 R N 2.524 123.024 120.500 -0.000 0.000 2.229 230 R HA 0.497 4.836 4.340 -0.001 0.000 0.328 230 R C -0.543 175.757 176.300 0.002 0.000 1.009 230 R CA -0.043 56.060 56.100 0.005 0.000 0.864 230 R CB 0.804 31.106 30.300 0.003 0.000 1.085 230 R HN 0.043 nan 8.270 nan 0.000 0.453 231 V N 1.768 121.690 119.914 0.014 0.000 2.709 231 V HA 0.545 4.664 4.120 -0.001 0.000 0.308 231 V C -0.778 175.344 176.094 0.047 0.000 1.062 231 V CA -0.901 61.410 62.300 0.017 0.000 0.901 231 V CB 2.045 33.879 31.823 0.019 0.000 1.003 231 V HN 0.391 nan 8.190 nan 0.000 0.425 232 V N 3.609 123.556 119.914 0.054 0.000 2.370 232 V HA 0.499 4.618 4.120 -0.001 0.000 0.279 232 V C 0.614 176.842 176.094 0.223 0.000 1.029 232 V CA 0.145 62.522 62.300 0.128 0.000 0.870 232 V CB 1.368 33.262 31.823 0.117 0.000 0.984 232 V HN 1.111 nan 8.190 nan 0.000 0.451 233 T N 6.479 121.154 114.554 0.201 0.000 2.837 233 T HA 0.538 4.887 4.350 -0.001 0.000 0.285 233 T C -0.822 173.988 174.700 0.183 0.000 0.984 233 T CA -0.423 61.794 62.100 0.196 0.000 1.049 233 T CB 0.722 69.678 68.868 0.146 0.000 0.947 233 T HN 0.433 nan 8.240 nan 0.000 0.472 234 L N 5.749 127.033 121.223 0.103 0.000 2.356 234 L HA 0.590 4.929 4.340 -0.001 0.000 0.277 234 L C -0.867 175.950 176.870 -0.089 0.000 0.996 234 L CA -0.562 54.231 54.840 -0.079 0.000 0.822 234 L CB 1.583 43.362 42.059 -0.467 0.000 1.256 234 L HN 0.691 nan 8.230 nan 0.000 0.413 235 N N 4.202 122.854 118.700 -0.081 0.000 2.443 235 N HA 0.648 5.387 4.740 -0.001 0.000 0.269 235 N C -1.350 174.079 175.510 -0.136 0.000 0.985 235 N CA -0.126 52.851 53.050 -0.122 0.000 0.921 235 N CB 2.003 40.431 38.487 -0.098 0.000 1.195 235 N HN 0.784 nan 8.380 nan 0.000 0.492 236 A N 3.268 125.980 122.820 -0.179 0.000 2.374 236 A HA 0.510 4.830 4.320 -0.001 0.000 0.317 236 A C -0.066 177.406 177.584 -0.186 0.000 1.094 236 A CA -0.837 51.088 52.037 -0.186 0.000 0.765 236 A CB 1.360 20.229 19.000 -0.218 0.000 1.268 236 A HN 0.751 nan 8.150 nan 0.000 0.438 237 R N 1.068 121.456 120.500 -0.188 0.000 2.491 237 R HA 0.431 4.770 4.340 -0.001 0.000 0.283 237 R C 0.141 176.316 176.300 -0.208 0.000 1.072 237 R CA 0.782 56.785 56.100 -0.162 0.000 1.048 237 R CB 0.426 30.625 30.300 -0.168 0.000 0.983 237 R HN 0.950 nan 8.270 nan 0.000 0.450 238 S N 1.622 117.230 115.700 -0.152 0.000 2.745 238 S HA 0.241 4.710 4.470 -0.001 0.000 0.306 238 S C 0.191 174.769 174.600 -0.037 0.000 1.137 238 S CA -0.848 57.248 58.200 -0.174 0.000 0.900 238 S CB 1.444 64.560 63.200 -0.140 0.000 1.176 238 S HN 0.846 nan 8.310 nan 0.000 0.520 239 H N -0.521 118.512 119.070 -0.061 0.000 2.551 239 H HA 0.434 4.989 4.556 -0.001 0.000 0.271 239 H C 0.171 175.487 175.328 -0.020 0.000 0.984 239 H CA -0.234 55.797 56.048 -0.027 0.000 1.164 239 H CB 0.129 29.881 29.762 -0.016 0.000 1.437 239 H HN 0.173 nan 8.280 nan 0.000 0.550 240 L N 0.006 121.272 121.223 0.072 0.000 2.635 240 L HA 0.264 4.603 4.340 -0.001 0.000 0.250 240 L C 1.421 178.293 176.870 0.003 0.000 1.117 240 L CA -0.791 54.066 54.840 0.027 0.000 0.834 240 L CB 0.681 42.736 42.059 -0.007 0.000 1.544 240 L HN 0.132 nan 8.230 nan 0.000 0.511 241 R N -0.018 120.473 120.500 -0.016 0.000 2.307 241 R HA 0.253 4.592 4.340 -0.001 0.000 0.199 241 R C -0.076 176.173 176.300 -0.086 0.000 1.000 241 R CA 0.214 56.290 56.100 -0.040 0.000 1.023 241 R CB -0.265 30.013 30.300 -0.036 0.000 0.908 241 R HN 0.585 nan 8.270 nan 0.000 0.473 242 A N 0.888 123.648 122.820 -0.099 0.000 2.527 242 A HA 0.643 4.962 4.320 -0.001 0.000 0.293 242 A C -0.386 177.087 177.584 -0.184 0.000 1.117 242 A CA -0.826 51.117 52.037 -0.156 0.000 0.723 242 A CB 1.609 20.524 19.000 -0.143 0.000 1.313 242 A HN -0.085 nan 8.150 nan 0.000 0.411 243 R N -0.187 120.150 120.500 -0.271 0.000 2.679 243 R HA 0.455 4.794 4.340 -0.001 0.000 0.269 243 R C -0.701 175.456 176.300 -0.239 0.000 1.076 243 R CA -0.301 55.623 56.100 -0.294 0.000 1.160 243 R CB 0.675 30.699 30.300 -0.460 0.000 1.054 243 R HN 0.412 nan 8.270 nan 0.000 0.507 244 V N 2.050 121.837 119.914 -0.213 0.000 2.459 244 V HA 0.275 4.394 4.120 -0.001 0.000 0.295 244 V C 0.072 176.062 176.094 -0.173 0.000 1.029 244 V CA -0.536 61.663 62.300 -0.168 0.000 0.874 244 V CB 1.609 33.341 31.823 -0.151 0.000 0.985 244 V HN 0.581 nan 8.190 nan 0.000 0.438 245 Q N 2.797 122.522 119.800 -0.125 0.000 2.356 245 Q HA 0.806 5.145 4.340 -0.001 0.000 0.270 245 Q C -1.106 174.874 176.000 -0.033 0.000 1.058 245 Q CA -0.565 55.188 55.803 -0.084 0.000 0.802 245 Q CB 2.270 30.985 28.738 -0.037 0.000 1.303 245 Q HN 0.902 nan 8.270 nan 0.000 0.444 246 A N 3.243 126.054 122.820 -0.016 0.000 2.454 246 A HA 0.672 4.991 4.320 -0.001 0.000 0.302 246 A C -1.504 176.215 177.584 0.225 0.000 1.079 246 A CA -0.650 51.432 52.037 0.075 0.000 0.731 246 A CB 2.023 21.031 19.000 0.013 0.000 1.299 246 A HN 0.762 nan 8.150 nan 0.000 0.413 247 Q N 0.140 120.111 119.800 0.285 0.000 2.377 247 Q HA 0.675 5.015 4.340 -0.001 0.000 0.271 247 Q C -0.824 175.290 176.000 0.190 0.000 1.077 247 Q CA -0.688 55.267 55.803 0.254 0.000 0.820 247 Q CB 2.318 31.125 28.738 0.115 0.000 1.347 247 Q HN 0.662 nan 8.270 nan 0.000 0.444 248 S N -0.103 115.597 115.700 -0.001 0.000 2.532 248 S HA 0.427 4.896 4.470 -0.001 0.000 0.299 248 S C 0.070 174.580 174.600 -0.150 0.000 1.105 248 S CA -0.439 57.585 58.200 -0.294 0.000 1.018 248 S CB 1.138 63.786 63.200 -0.920 0.000 1.021 248 S HN 0.712 nan 8.310 nan 0.000 0.483 249 T N 0.525 115.006 114.554 -0.122 0.000 3.054 249 T HA 0.207 4.556 4.350 -0.001 0.000 0.255 249 T C 0.400 175.052 174.700 -0.080 0.000 1.035 249 T CA -0.056 62.000 62.100 -0.073 0.000 0.941 249 T CB -0.914 67.927 68.868 -0.044 0.000 1.026 249 T HN 0.769 nan 8.240 nan 0.000 0.533 250 N N 0.855 119.483 118.700 -0.119 0.000 2.599 250 N HA 0.226 4.965 4.740 -0.001 0.000 0.309 250 N C -1.107 174.338 175.510 -0.108 0.000 1.743 250 N CA -0.651 52.340 53.050 -0.097 0.000 0.918 250 N CB 0.307 38.746 38.487 -0.080 0.000 1.339 250 N HN -0.157 nan 8.380 nan 0.000 0.493 251 D N 0.286 120.626 120.400 -0.101 0.000 2.837 251 D HA -0.180 4.460 4.640 -0.001 0.000 0.230 251 D C 1.271 177.510 176.300 -0.100 0.000 1.152 251 D CA 1.903 55.863 54.000 -0.066 0.000 0.736 251 D CB -1.448 39.349 40.800 -0.005 0.000 1.084 251 D HN 0.878 nan 8.370 nan 0.000 0.429 252 G N -1.297 107.329 108.800 -0.290 0.000 2.194 252 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.236 252 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.236 252 G C 0.914 175.631 174.900 -0.305 0.000 0.987 252 G CA 0.587 45.452 45.100 -0.391 0.000 0.635 252 G HN 0.484 nan 8.290 nan 0.000 0.520 253 L N 1.093 122.187 121.223 -0.214 0.000 2.017 253 L HA 0.306 4.645 4.340 -0.001 0.000 0.208 253 L C 0.593 177.393 176.870 -0.116 0.000 1.073 253 L CA 2.510 57.254 54.840 -0.160 0.000 0.745 253 L CB -0.146 41.852 42.059 -0.101 0.000 0.894 253 L HN 0.361 nan 8.230 nan 0.000 0.432 254 D N -2.184 118.131 120.400 -0.142 0.000 2.646 254 D HA 0.341 4.980 4.640 -0.001 0.000 0.245 254 D C -1.210 174.949 176.300 -0.234 0.000 1.099 254 D CA -0.032 53.962 54.000 -0.010 0.000 0.849 254 D CB 1.155 42.000 40.800 0.075 0.000 1.448 254 D HN -0.134 nan 8.370 nan 0.000 0.489 255 F N 2.360 122.356 119.950 0.076 0.000 2.371 255 F HA 0.210 4.737 4.527 -0.001 0.000 0.343 255 F C 1.243 177.068 175.800 0.042 0.000 1.150 255 F CA -0.466 57.564 58.000 0.051 0.000 1.220 255 F CB 0.967 39.997 39.000 0.050 0.000 1.475 255 F HN 0.221 nan 8.300 nan 0.000 0.521 256 Q N 0.523 120.397 119.800 0.124 0.000 1.895 256 Q HA -0.154 4.185 4.340 -0.001 0.000 0.217 256 Q C 0.303 176.354 176.000 0.086 0.000 1.003 256 Q CA 1.449 57.301 55.803 0.081 0.000 0.871 256 Q CB -0.300 28.459 28.738 0.036 0.000 0.941 256 Q HN 0.505 nan 8.270 nan 0.000 0.421 257 E N 0.369 120.614 120.200 0.076 0.000 2.360 257 E HA 0.313 4.662 4.350 -0.001 0.000 0.269 257 E C -0.716 175.929 176.600 0.074 0.000 1.022 257 E CA -0.034 56.403 56.400 0.060 0.000 0.887 257 E CB 0.976 30.703 29.700 0.046 0.000 0.990 257 E HN 0.035 nan 8.360 nan 0.000 0.426 258 S N 2.302 118.028 115.700 0.044 0.000 2.562 258 S HA 0.297 4.766 4.470 -0.001 0.000 0.274 258 S C -1.771 172.828 174.600 -0.000 0.000 1.160 258 S CA -0.713 57.502 58.200 0.024 0.000 0.933 258 S CB 0.897 64.111 63.200 0.023 0.000 1.100 258 S HN 0.555 nan 8.310 nan 0.000 0.468 259 Q N 3.223 123.012 119.800 -0.018 0.000 2.575 259 Q HA 0.585 4.924 4.340 -0.001 0.000 0.290 259 Q C -1.606 174.362 176.000 -0.055 0.000 0.963 259 Q CA -1.161 54.624 55.803 -0.029 0.000 0.783 259 Q CB 0.918 29.646 28.738 -0.016 0.000 1.467 259 Q HN 0.577 nan 8.270 nan 0.000 0.402 260 L N 1.184 122.372 121.223 -0.059 0.000 2.397 260 L HA 0.393 4.732 4.340 -0.001 0.000 0.271 260 L C -0.566 176.251 176.870 -0.088 0.000 1.148 260 L CA -0.857 53.932 54.840 -0.085 0.000 0.825 260 L CB 1.232 43.247 42.059 -0.072 0.000 1.117 260 L HN 0.477 nan 8.230 nan 0.000 0.456 261 V N 4.139 123.970 119.914 -0.138 0.000 2.257 261 V HA 0.127 4.246 4.120 -0.001 0.000 0.269 261 V C 0.919 176.914 176.094 -0.165 0.000 1.040 261 V CA -0.606 61.607 62.300 -0.144 0.000 0.813 261 V CB 0.685 32.367 31.823 -0.235 0.000 1.065 261 V HN 0.743 nan 8.190 nan 0.000 0.457 262 K N 2.133 122.471 120.400 -0.103 0.000 2.160 262 K HA -0.241 4.078 4.320 -0.001 0.000 0.206 262 K C 1.826 178.367 176.600 -0.099 0.000 1.047 262 K CA 1.316 57.548 56.287 -0.093 0.000 0.930 262 K CB 0.051 32.518 32.500 -0.055 0.000 0.720 262 K HN 0.304 nan 8.250 nan 0.000 0.450 263 K N 1.203 121.552 120.400 -0.085 0.000 2.280 263 K HA -0.029 4.290 4.320 -0.001 0.000 0.202 263 K C 0.270 176.808 176.600 -0.105 0.000 1.047 263 K CA 0.782 57.043 56.287 -0.045 0.000 0.942 263 K CB 0.100 32.617 32.500 0.028 0.000 0.739 263 K HN 0.060 nan 8.250 nan 0.000 0.457 264 L N 1.343 122.386 121.223 -0.300 0.000 2.321 264 L HA 0.276 4.615 4.340 -0.001 0.000 0.272 264 L C -0.336 176.319 176.870 -0.357 0.000 1.050 264 L CA -0.925 53.624 54.840 -0.486 0.000 0.893 264 L CB 1.250 42.757 42.059 -0.919 0.000 1.272 264 L HN -0.191 nan 8.230 nan 0.000 0.435 265 V N 3.148 122.930 119.914 -0.220 0.000 2.963 265 V HA 0.119 4.239 4.120 -0.001 0.000 0.306 265 V C 0.228 176.181 176.094 -0.236 0.000 1.077 265 V CA 0.182 62.369 62.300 -0.189 0.000 1.124 265 V CB 1.324 33.068 31.823 -0.131 0.000 0.987 265 V HN 0.629 nan 8.190 nan 0.000 0.487 266 E N 6.634 126.750 120.200 -0.139 0.000 2.191 266 E HA 0.424 4.773 4.350 -0.001 0.000 0.263 266 E C -2.555 174.066 176.600 0.036 0.000 0.881 266 E CA -2.013 54.365 56.400 -0.037 0.000 0.757 266 E CB 1.874 31.549 29.700 -0.041 0.000 1.147 266 E HN 0.570 nan 8.360 nan 0.000 0.414 267 P HA 0.002 nan 4.420 nan 0.000 0.264 267 P C -2.099 175.266 177.300 0.108 0.000 1.183 267 P CA -0.865 62.300 63.100 0.109 0.000 0.763 267 P CB 0.458 32.244 31.700 0.145 0.000 0.807 268 P HA -0.259 nan 4.420 nan 0.000 0.218 268 P C -1.084 176.282 177.300 0.110 0.000 1.132 268 P CA 2.633 65.827 63.100 0.155 0.000 0.968 268 P CB -1.915 29.937 31.700 0.253 0.000 0.783 269 P HA -0.169 nan 4.420 nan 0.000 0.219 269 P C 1.064 178.389 177.300 0.041 0.000 1.019 269 P CA 1.362 64.504 63.100 0.070 0.000 0.984 269 P CB -0.355 31.397 31.700 0.085 0.000 0.590 270 Q N -0.558 119.278 119.800 0.060 0.000 2.172 270 Q HA 0.331 4.670 4.340 -0.001 0.000 0.217 270 Q C 0.817 176.914 176.000 0.162 0.000 0.832 270 Q CA 0.548 56.395 55.803 0.074 0.000 1.010 270 Q CB 0.707 29.486 28.738 0.069 0.000 1.133 270 Q HN 0.585 nan 8.270 nan 0.000 0.489 271 G N 0.827 109.705 108.800 0.130 0.000 2.725 271 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 271 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 271 G C -0.722 174.257 174.900 0.132 0.000 1.357 271 G CA -0.376 44.804 45.100 0.132 0.000 0.866 271 G HN 0.367 nan 8.290 nan 0.000 0.548 272 C N -0.394 118.986 119.300 0.133 0.000 3.086 272 C HA 0.727 5.186 4.460 -0.001 0.000 0.311 272 C C 0.270 175.173 174.990 -0.145 0.000 1.260 272 C CA -0.227 58.788 59.018 -0.004 0.000 1.426 272 C CB 1.521 29.185 27.740 -0.126 0.000 1.826 272 C HN 1.119 nan 8.230 nan 0.000 0.474 273 Q N 1.928 121.415 119.800 -0.522 0.000 2.373 273 Q HA 0.517 4.856 4.340 -0.001 0.000 0.255 273 Q C -0.025 175.763 176.000 -0.353 0.000 0.980 273 Q CA 0.602 56.041 55.803 -0.606 0.000 0.882 273 Q CB 1.369 29.288 28.738 -1.365 0.000 1.249 273 Q HN 1.052 nan 8.270 nan 0.000 0.438 274 G N 0.905 109.635 108.800 -0.116 0.000 2.680 274 G HA2 0.497 4.456 3.960 -0.001 0.000 0.290 274 G HA3 0.497 4.456 3.960 -0.001 0.000 0.290 274 G C -1.605 173.292 174.900 -0.006 0.000 1.355 274 G CA -0.407 44.668 45.100 -0.043 0.000 0.903 274 G HN 0.542 nan 8.290 nan 0.000 0.474 275 S N -1.606 114.072 115.700 -0.036 0.000 2.566 275 S HA 0.782 5.252 4.470 -0.001 0.000 0.298 275 S C -1.301 173.448 174.600 0.248 0.000 1.083 275 S CA -0.644 57.637 58.200 0.135 0.000 0.978 275 S CB 1.829 65.134 63.200 0.175 0.000 1.073 275 S HN 1.355 nan 8.310 nan 0.000 0.491 276 V N 5.475 125.601 119.914 0.352 0.000 2.932 276 V HA 0.777 4.896 4.120 -0.001 0.000 0.307 276 V C -1.345 175.004 176.094 0.426 0.000 1.147 276 V CA -0.680 61.864 62.300 0.407 0.000 0.951 276 V CB 1.656 33.711 31.823 0.387 0.000 1.031 276 V HN 0.949 nan 8.190 nan 0.000 0.426 277 I N 2.830 123.637 120.570 0.395 0.000 3.191 277 I HA 0.913 5.082 4.170 -0.001 0.000 0.313 277 I C -0.510 175.832 176.117 0.376 0.000 1.193 277 I CA -0.672 60.856 61.300 0.381 0.000 0.968 277 I CB 2.369 40.551 38.000 0.304 0.000 1.262 277 I HN 0.663 nan 8.210 nan 0.000 0.456 278 S N 1.845 117.749 115.700 0.341 0.000 2.607 278 S HA 0.914 5.383 4.470 -0.001 0.000 0.303 278 S C -0.787 174.037 174.600 0.374 0.000 1.086 278 S CA -0.539 57.817 58.200 0.260 0.000 0.995 278 S CB 1.788 65.085 63.200 0.162 0.000 1.084 278 S HN 0.922 nan 8.310 nan 0.000 0.507 279 F N -2.726 117.358 119.950 0.223 0.000 2.693 279 F HA 0.761 5.287 4.527 -0.001 0.000 0.309 279 F C -3.528 172.332 175.800 0.100 0.000 1.129 279 F CA -2.642 55.473 58.000 0.192 0.000 0.948 279 F CB 0.224 39.416 39.000 0.321 0.000 1.315 279 F HN 0.331 nan 8.300 nan 0.000 0.447 280 P HA 0.095 nan 4.420 nan 0.000 0.261 280 P C -0.410 176.795 177.300 -0.159 0.000 1.183 280 P CA 0.171 63.272 63.100 0.000 0.000 0.761 280 P CB 0.655 32.388 31.700 0.055 0.000 0.785 281 S N 4.277 119.710 115.700 -0.446 0.000 2.564 281 S HA 0.201 4.670 4.470 -0.001 0.000 0.278 281 S C -1.571 172.678 174.600 -0.585 0.000 1.333 281 S CA -0.802 56.819 58.200 -0.965 0.000 1.048 281 S CB 0.410 62.929 63.200 -1.135 0.000 0.900 281 S HN 0.255 nan 8.310 nan 0.000 0.505 282 P HA -0.057 nan 4.420 nan 0.000 0.218 282 P C 0.539 177.732 177.300 -0.177 0.000 1.148 282 P CA 0.888 63.860 63.100 -0.213 0.000 0.822 282 P CB 0.125 31.799 31.700 -0.043 0.000 0.784 291 Q N -1.239 118.524 119.800 -0.062 0.000 2.423 291 Q HA 0.647 4.986 4.340 -0.001 0.000 0.278 291 Q C -1.422 174.571 176.000 -0.011 0.000 1.097 291 Q CA -0.359 55.372 55.803 -0.120 0.000 0.809 291 Q CB 1.955 30.660 28.738 -0.054 0.000 1.391 291 Q HN 0.464 nan 8.270 nan 0.000 0.428 292 W N 1.011 121.970 121.300 -0.568 0.000 2.820 292 W HA 0.669 5.328 4.660 -0.001 0.000 0.350 292 W C -0.995 175.161 176.519 -0.604 0.000 1.116 292 W CA -0.858 56.116 57.345 -0.619 0.000 1.146 292 W CB 0.835 29.839 29.460 -0.760 0.000 1.433 292 W HN 0.467 nan 8.180 nan 0.000 0.561 293 L N 2.371 123.519 121.223 -0.124 0.000 2.330 293 L HA 0.653 4.992 4.340 -0.001 0.000 0.271 293 L C -0.876 176.191 176.870 0.328 0.000 1.013 293 L CA -1.270 53.619 54.840 0.082 0.000 0.816 293 L CB 1.550 43.609 42.059 -0.000 0.000 1.287 293 L HN 0.115 nan 8.230 nan 0.000 0.435 294 L N 2.169 123.686 121.223 0.491 0.000 2.408 294 L HA 0.570 4.909 4.340 -0.001 0.000 0.268 294 L C -1.540 175.629 176.870 0.498 0.000 0.986 294 L CA -0.298 54.808 54.840 0.443 0.000 0.820 294 L CB 1.917 44.032 42.059 0.092 0.000 1.303 294 L HN 0.454 nan 8.230 nan 0.000 0.411 295 Y N 2.578 123.085 120.300 0.345 0.000 2.504 295 Y HA 0.750 5.299 4.550 -0.001 0.000 0.344 295 Y C -1.109 174.920 175.900 0.216 0.000 1.023 295 Y CA -0.363 57.847 58.100 0.183 0.000 1.020 295 Y CB 2.094 40.483 38.460 -0.118 0.000 1.282 295 Y HN 0.754 nan 8.280 nan 0.000 0.454 296 T N 3.390 117.681 114.554 -0.438 0.000 2.876 296 T HA 0.598 4.947 4.350 -0.001 0.000 0.289 296 T C -1.460 172.903 174.700 -0.562 0.000 1.014 296 T CA -0.561 61.345 62.100 -0.324 0.000 0.986 296 T CB 1.849 70.660 68.868 -0.095 0.000 1.021 296 T HN 0.933 nan 8.240 nan 0.000 0.458 297 H N 1.022 119.849 119.070 -0.405 0.000 3.043 297 H HA 0.311 4.866 4.556 -0.002 0.000 0.317 297 H C -3.409 171.874 175.328 -0.074 0.000 1.321 297 H CA -1.140 54.733 56.048 -0.292 0.000 1.243 297 H CB 1.687 31.188 29.762 -0.435 0.000 1.924 297 H HN 0.399 nan 8.280 nan 0.000 0.527 298 P HA 0.043 nan 4.420 nan 0.000 0.266 298 P C 0.596 178.064 177.300 0.280 0.000 1.195 298 P CA 0.668 63.786 63.100 0.030 0.000 0.768 298 P CB 0.701 32.350 31.700 -0.085 0.000 0.838 299 T N -1.689 112.955 114.554 0.151 0.000 3.023 299 T HA 0.073 4.422 4.350 -0.001 0.000 0.253 299 T C 0.506 175.233 174.700 0.045 0.000 1.038 299 T CA 0.159 62.332 62.100 0.122 0.000 0.962 299 T CB -0.724 68.157 68.868 0.022 0.000 1.018 299 T HN 0.297 nan 8.240 nan 0.000 0.521 300 H N 2.388 121.449 119.070 -0.016 0.000 2.929 300 H HA 0.342 4.897 4.556 -0.002 0.000 0.317 300 H C 1.628 176.873 175.328 -0.137 0.000 1.031 300 H CA 0.652 56.665 56.048 -0.059 0.000 1.466 300 H CB 1.149 30.908 29.762 -0.005 0.000 1.482 300 H HN 0.290 nan 8.280 nan 0.000 0.561 301 S N 2.490 117.921 115.700 -0.448 0.000 2.481 301 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 301 S C 1.048 175.248 174.600 -0.667 0.000 0.996 301 S CA 0.498 58.286 58.200 -0.687 0.000 0.942 301 S CB -0.045 62.470 63.200 -1.142 0.000 0.768 301 S HN 0.809 nan 8.310 nan 0.000 0.520 302 W N 2.109 123.501 121.300 0.153 0.000 3.008 302 W HA 0.411 5.070 4.660 -0.000 0.000 0.355 302 W C 0.802 177.420 176.519 0.165 0.000 1.095 302 W CA -0.811 56.628 57.345 0.158 0.000 1.738 302 W CB 0.333 29.883 29.460 0.151 0.000 1.091 302 W HN 0.443 nan 8.180 nan 0.000 0.574 303 Q N -0.921 119.080 119.800 0.335 0.000 2.738 303 Q HA 0.400 4.739 4.340 -0.001 0.000 0.301 303 Q C -0.666 175.406 176.000 0.120 0.000 0.901 303 Q CA -1.219 54.695 55.803 0.184 0.000 0.756 303 Q CB 0.808 29.606 28.738 0.099 0.000 1.463 303 Q HN -0.044 nan 8.270 nan 0.000 0.432 304 R N 0.368 120.907 120.500 0.064 0.000 2.893 304 R HA 0.627 4.966 4.340 -0.001 0.000 0.243 304 R C -0.910 175.374 176.300 -0.028 0.000 1.481 304 R CA 0.351 56.469 56.100 0.031 0.000 1.250 304 R CB 0.348 30.678 30.300 0.049 0.000 1.213 304 R HN 0.537 nan 8.270 nan 0.000 0.609 305 A N 1.411 124.224 122.820 -0.012 0.000 2.594 305 A HA 0.434 4.753 4.320 -0.001 0.000 0.291 305 A C -1.181 176.407 177.584 0.006 0.000 1.105 305 A CA -0.871 51.130 52.037 -0.060 0.000 0.694 305 A CB 1.141 20.007 19.000 -0.223 0.000 1.291 305 A HN 0.591 nan 8.150 nan 0.000 0.410 306 D N -0.220 120.165 120.400 -0.025 0.000 3.508 306 D HA -0.138 4.501 4.640 -0.001 0.000 0.232 306 D C -0.422 175.832 176.300 -0.077 0.000 1.131 306 D CA 0.776 54.757 54.000 -0.032 0.000 1.040 306 D CB -0.862 39.963 40.800 0.043 0.000 0.879 306 D HN 0.622 nan 8.370 nan 0.000 0.407 307 L N 1.172 122.294 121.223 -0.169 0.000 2.499 307 L HA 0.375 4.714 4.340 -0.001 0.000 0.273 307 L C 1.079 177.824 176.870 -0.207 0.000 1.195 307 L CA 0.954 55.657 54.840 -0.229 0.000 0.882 307 L CB 0.762 42.536 42.059 -0.475 0.000 1.133 307 L HN 0.348 nan 8.230 nan 0.000 0.483 308 G N 3.581 112.303 108.800 -0.130 0.000 2.498 308 G HA2 0.767 4.726 3.960 -0.001 0.000 0.312 308 G HA3 0.767 4.726 3.960 -0.001 0.000 0.312 308 G C -1.631 173.210 174.900 -0.098 0.000 1.230 308 G CA -0.294 44.697 45.100 -0.182 0.000 0.968 308 G HN 0.951 nan 8.290 nan 0.000 0.481 309 A N 0.442 123.187 122.820 -0.125 0.000 2.318 309 A HA 0.793 5.113 4.320 -0.001 0.000 0.324 309 A C -1.530 176.254 177.584 0.334 0.000 1.170 309 A CA -0.553 51.567 52.037 0.138 0.000 0.810 309 A CB 0.794 19.831 19.000 0.061 0.000 1.198 309 A HN 0.581 nan 8.150 nan 0.000 0.484 310 Y N 0.949 121.489 120.300 0.400 0.000 2.468 310 Y HA 0.629 5.178 4.550 -0.002 0.000 0.342 310 Y C -0.110 176.015 175.900 0.374 0.000 1.021 310 Y CA -0.959 57.404 58.100 0.438 0.000 1.079 310 Y CB 1.935 40.638 38.460 0.405 0.000 1.226 310 Y HN 0.645 nan 8.280 nan 0.000 0.460 311 L N 3.244 124.562 121.223 0.159 0.000 2.346 311 L HA 0.554 4.893 4.340 -0.001 0.000 0.276 311 L C -1.107 175.610 176.870 -0.255 0.000 1.006 311 L CA -0.661 54.045 54.840 -0.224 0.000 0.817 311 L CB 1.653 43.085 42.059 -1.045 0.000 1.272 311 L HN 0.708 nan 8.230 nan 0.000 0.421 312 N N 5.850 124.236 118.700 -0.524 0.000 2.623 312 N HA 0.335 5.074 4.740 -0.001 0.000 0.256 312 N C -2.289 172.722 175.510 -0.832 0.000 1.045 312 N CA -1.599 50.920 53.050 -0.884 0.000 0.863 312 N CB 2.007 39.505 38.487 -1.648 0.000 1.182 312 N HN 0.357 nan 8.380 nan 0.000 0.523 313 P HA 0.147 nan 4.420 nan 0.000 0.249 313 P C -0.214 176.592 177.300 -0.824 0.000 1.229 313 P CA 0.269 62.358 63.100 -1.686 0.000 0.788 313 P CB 0.495 31.111 31.700 -1.808 0.000 1.072 314 R N 0.599 120.780 120.500 -0.533 0.000 2.718 314 R HA 0.286 4.625 4.340 -0.001 0.000 0.307 314 R C -2.457 173.674 176.300 -0.282 0.000 1.244 314 R CA -1.570 54.355 56.100 -0.292 0.000 1.348 314 R CB 0.674 30.832 30.300 -0.235 0.000 1.304 314 R HN 0.187 nan 8.270 nan 0.000 0.663 315 P HA 0.063 nan 4.420 nan 0.000 0.269 315 P C -2.059 175.160 177.300 -0.136 0.000 1.209 315 P CA -0.758 62.188 63.100 -0.258 0.000 0.776 315 P CB 1.062 32.629 31.700 -0.222 0.000 0.876 316 P HA 0.124 nan 4.420 nan 0.000 0.261 316 P C 0.302 177.511 177.300 -0.152 0.000 1.352 316 P CA -0.093 62.931 63.100 -0.125 0.000 0.891 316 P CB -0.028 31.658 31.700 -0.023 0.000 1.383 317 A N 2.635 125.357 122.820 -0.164 0.000 2.567 317 A HA -0.007 4.312 4.320 -0.001 0.000 0.263 317 A C -1.130 176.361 177.584 -0.156 0.000 1.030 317 A CA -0.287 51.668 52.037 -0.137 0.000 0.833 317 A CB -0.593 18.321 19.000 -0.143 0.000 0.924 317 A HN 0.137 nan 8.150 nan 0.000 0.518 318 P HA -0.208 nan 4.420 nan 0.000 0.216 318 P C 1.378 178.747 177.300 0.116 0.000 1.150 318 P CA 1.568 64.734 63.100 0.110 0.000 0.837 318 P CB 0.158 31.903 31.700 0.074 0.000 0.786 319 E N -0.101 120.108 120.200 0.015 0.000 2.482 319 E HA -0.028 4.321 4.350 -0.001 0.000 0.196 319 E C 1.460 178.045 176.600 -0.026 0.000 1.047 319 E CA 0.966 57.373 56.400 0.011 0.000 0.869 319 E CB -0.826 28.867 29.700 -0.011 0.000 0.836 319 E HN 0.156 nan 8.360 nan 0.000 0.520 320 A N 0.582 123.329 122.820 -0.122 0.000 2.208 320 A HA 0.075 4.394 4.320 -0.001 0.000 0.209 320 A C 0.362 177.813 177.584 -0.222 0.000 1.161 320 A CA -0.504 51.406 52.037 -0.210 0.000 0.782 320 A CB -0.698 18.110 19.000 -0.321 0.000 0.816 320 A HN 0.260 nan 8.150 nan 0.000 0.477 321 W N 1.933 123.168 121.300 -0.108 0.000 2.264 321 W HA 0.259 4.919 4.660 -0.000 0.000 0.331 321 W C 1.156 177.658 176.519 -0.028 0.000 1.364 321 W CA 0.558 57.854 57.345 -0.082 0.000 1.253 321 W CB 0.631 30.030 29.460 -0.103 0.000 1.215 321 W HN 0.343 nan 8.180 nan 0.000 0.561 322 S N 2.252 118.124 115.700 0.286 0.000 2.686 322 S HA 0.322 4.791 4.470 -0.001 0.000 0.270 322 S C 0.048 174.799 174.600 0.253 0.000 1.194 322 S CA -1.054 57.251 58.200 0.176 0.000 0.990 322 S CB 0.966 64.203 63.200 0.061 0.000 1.029 322 S HN 0.447 nan 8.310 nan 0.000 0.560 323 E N 2.140 122.427 120.200 0.145 0.000 2.404 323 E HA 0.288 4.637 4.350 -0.001 0.000 0.261 323 E C -2.110 174.473 176.600 -0.029 0.000 1.074 323 E CA -1.661 54.781 56.400 0.071 0.000 0.917 323 E CB 0.098 29.820 29.700 0.038 0.000 0.965 323 E HN 0.526 nan 8.360 nan 0.000 0.433 324 P HA 0.101 nan 4.420 nan 0.000 0.277 324 P C -0.460 176.672 177.300 -0.279 0.000 1.240 324 P CA -0.318 62.404 63.100 -0.631 0.000 0.798 324 P CB 1.115 32.165 31.700 -1.082 0.000 0.979 325 V N 4.483 124.246 119.914 -0.252 0.000 2.483 325 V HA 0.257 4.376 4.120 -0.001 0.000 0.295 325 V C -0.051 175.862 176.094 -0.301 0.000 1.035 325 V CA -1.267 60.861 62.300 -0.286 0.000 0.896 325 V CB 1.201 32.720 31.823 -0.507 0.000 0.986 325 V HN 0.427 nan 8.190 nan 0.000 0.447 326 L N 6.691 127.763 121.223 -0.253 0.000 2.500 326 L HA 0.192 4.531 4.340 -0.001 0.000 0.272 326 L C 0.710 177.410 176.870 -0.283 0.000 1.149 326 L CA 0.251 54.953 54.840 -0.230 0.000 0.897 326 L CB 0.877 42.837 42.059 -0.165 0.000 1.178 326 L HN 0.793 nan 8.230 nan 0.000 0.473 327 L N 4.921 125.954 121.223 -0.317 0.000 2.357 327 L HA 0.301 4.640 4.340 -0.001 0.000 0.211 327 L C 0.504 177.192 176.870 -0.303 0.000 1.075 327 L CA 0.248 54.854 54.840 -0.390 0.000 0.830 327 L CB 0.231 42.013 42.059 -0.461 0.000 0.996 327 L HN 0.725 nan 8.230 nan 0.000 0.467 328 A N 0.007 122.665 122.820 -0.270 0.000 2.512 328 A HA 0.377 4.696 4.320 -0.001 0.000 0.294 328 A C -0.926 176.579 177.584 -0.130 0.000 1.054 328 A CA -0.590 51.336 52.037 -0.185 0.000 0.756 328 A CB 1.245 20.103 19.000 -0.237 0.000 1.293 328 A HN -0.027 nan 8.150 nan 0.000 0.395 329 K N 1.296 121.655 120.400 -0.070 0.000 2.107 329 K HA 0.623 4.942 4.320 -0.001 0.000 0.251 329 K C 0.758 177.341 176.600 -0.028 0.000 1.012 329 K CA 1.062 57.322 56.287 -0.045 0.000 0.920 329 K CB 0.884 33.366 32.500 -0.031 0.000 1.033 329 K HN 2.304 nan 8.250 nan 0.000 0.478 330 G N 0.434 109.214 108.800 -0.033 0.000 2.587 330 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.212 330 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.212 330 G C -0.747 174.118 174.900 -0.058 0.000 1.327 330 G CA -0.216 44.859 45.100 -0.041 0.000 0.898 330 G HN 0.615 nan 8.290 nan 0.000 0.551 331 S N -0.788 114.874 115.700 -0.064 0.000 2.488 331 S HA 0.494 4.963 4.470 -0.001 0.000 0.278 331 S C 0.225 174.791 174.600 -0.056 0.000 1.259 331 S CA 0.512 58.655 58.200 -0.095 0.000 1.061 331 S CB -1.039 62.080 63.200 -0.135 0.000 0.910 331 S HN 1.321 nan 8.310 nan 0.000 0.491 332 C N 4.012 123.280 119.300 -0.053 0.000 2.783 332 C HA 0.892 5.351 4.460 -0.001 0.000 0.312 332 C C 0.812 175.807 174.990 0.008 0.000 1.182 332 C CA -0.454 58.579 59.018 0.025 0.000 1.432 332 C CB 0.935 28.660 27.740 -0.025 0.000 1.933 332 C HN 1.078 nan 8.230 nan 0.000 0.473 333 A N 0.987 123.871 122.820 0.106 0.000 3.426 333 A HA 0.793 5.112 4.320 -0.001 0.000 0.185 333 A C -0.939 176.798 177.584 0.254 0.000 1.057 333 A CA -0.116 52.040 52.037 0.200 0.000 1.261 333 A CB -0.516 18.724 19.000 0.401 0.000 1.676 333 A HN 0.687 nan 8.150 nan 0.000 0.658 334 Y N 1.517 121.883 120.300 0.110 0.000 2.788 334 Y HA 0.330 4.879 4.550 -0.002 0.000 0.341 334 Y C 1.240 177.218 175.900 0.131 0.000 1.258 334 Y CA 0.617 58.772 58.100 0.091 0.000 1.503 334 Y CB 0.225 38.754 38.460 0.116 0.000 1.325 334 Y HN 0.692 nan 8.280 nan 0.000 0.614 335 S N 0.515 116.340 115.700 0.207 0.000 2.638 335 S HA 0.695 5.164 4.470 -0.001 0.000 0.274 335 S C -1.798 172.932 174.600 0.215 0.000 1.157 335 S CA -1.003 57.332 58.200 0.225 0.000 0.826 335 S CB 3.030 66.318 63.200 0.146 0.000 1.139 335 S HN 0.475 nan 8.310 nan 0.000 0.474 336 D N -0.245 120.311 120.400 0.261 0.000 2.927 336 D HA 0.590 5.229 4.640 -0.001 0.000 0.219 336 D C -1.388 175.078 176.300 0.277 0.000 1.248 336 D CA -0.323 53.859 54.000 0.304 0.000 0.861 336 D CB 1.588 42.603 40.800 0.359 0.000 1.677 336 D HN 0.653 nan 8.370 nan 0.000 0.511 337 L N 2.031 123.397 121.223 0.238 0.000 2.322 337 L HA 0.660 4.999 4.340 -0.001 0.000 0.269 337 L C -0.320 176.540 176.870 -0.015 0.000 1.012 337 L CA -0.794 54.128 54.840 0.138 0.000 0.815 337 L CB 1.806 43.942 42.059 0.129 0.000 1.295 337 L HN 0.227 nan 8.230 nan 0.000 0.438 338 Q N 1.005 120.836 119.800 0.053 0.000 2.284 338 Q HA 0.261 4.600 4.340 -0.001 0.000 0.269 338 Q C -1.211 174.833 176.000 0.073 0.000 1.026 338 Q CA -0.387 55.436 55.803 0.034 0.000 0.831 338 Q CB 2.507 31.319 28.738 0.124 0.000 1.322 338 Q HN 0.582 nan 8.270 nan 0.000 0.419 339 S N 2.427 118.188 115.700 0.101 0.000 2.499 339 S HA 0.364 4.834 4.470 -0.001 0.000 0.275 339 S C 0.538 175.019 174.600 -0.199 0.000 1.257 339 S CA -0.106 58.131 58.200 0.061 0.000 1.050 339 S CB 0.185 63.501 63.200 0.193 0.000 0.937 339 S HN 0.595 nan 8.310 nan 0.000 0.490 340 M N 4.750 124.057 119.600 -0.489 0.000 2.576 340 M HA 0.291 4.771 4.480 -0.001 0.000 0.322 340 M C 1.015 176.977 176.300 -0.562 0.000 1.184 340 M CA 0.083 54.822 55.300 -0.934 0.000 0.967 340 M CB -0.042 31.935 32.600 -1.037 0.000 1.372 340 M HN 0.978 nan 8.290 nan 0.000 0.509 341 G N 0.652 109.272 108.800 -0.300 0.000 2.542 341 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.235 341 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.235 341 G C -0.365 174.399 174.900 -0.227 0.000 1.286 341 G CA -0.669 44.338 45.100 -0.155 0.000 0.904 341 G HN 0.273 nan 8.290 nan 0.000 0.577 342 T N 1.592 116.070 114.554 -0.127 0.000 2.870 342 T HA 0.542 4.891 4.350 -0.001 0.000 0.300 342 T C 1.098 175.713 174.700 -0.142 0.000 0.989 342 T CA 0.705 62.725 62.100 -0.133 0.000 1.139 342 T CB 1.136 69.972 68.868 -0.054 0.000 0.920 342 T HN 1.423 nan 8.240 nan 0.000 0.537 343 G N 2.884 111.561 108.800 -0.206 0.000 2.547 343 G HA2 0.409 4.368 3.960 -0.001 0.000 0.291 343 G HA3 0.409 4.368 3.960 -0.001 0.000 0.291 343 G C -1.581 173.257 174.900 -0.103 0.000 1.211 343 G CA -1.602 43.389 45.100 -0.182 0.000 0.950 343 G HN 0.383 nan 8.290 nan 0.000 0.504 344 P HA -0.081 nan 4.420 nan 0.000 0.217 344 P C 0.885 178.138 177.300 -0.078 0.000 1.148 344 P CA 1.571 64.612 63.100 -0.100 0.000 0.828 344 P CB 0.134 31.642 31.700 -0.320 0.000 0.783 345 D N -2.735 117.601 120.400 -0.106 0.000 2.328 345 D HA 0.174 4.813 4.640 -0.001 0.000 0.221 345 D C 1.400 177.689 176.300 -0.018 0.000 1.072 345 D CA 0.414 54.384 54.000 -0.050 0.000 0.850 345 D CB -0.800 39.965 40.800 -0.059 0.000 0.922 345 D HN 0.213 nan 8.370 nan 0.000 0.516 346 G N -0.000 108.772 108.800 -0.047 0.000 2.225 346 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.254 346 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.254 346 G C 0.481 175.334 174.900 -0.079 0.000 0.988 346 G CA 0.429 45.527 45.100 -0.003 0.000 0.625 346 G HN 0.863 nan 8.290 nan 0.000 0.527 347 S N 0.314 115.827 115.700 -0.313 0.000 2.672 347 S HA 0.735 5.204 4.470 -0.001 0.000 0.276 347 S C -2.522 171.813 174.600 -0.441 0.000 1.207 347 S CA -1.409 56.440 58.200 -0.585 0.000 1.002 347 S CB 2.263 64.776 63.200 -1.144 0.000 0.998 347 S HN 0.070 nan 8.310 nan 0.000 0.542 348 P HA 0.115 nan 4.420 nan 0.000 0.260 348 P C -0.858 175.814 177.300 -1.047 0.000 1.172 348 P CA -0.025 62.667 63.100 -0.679 0.000 0.760 348 P CB 0.155 31.431 31.700 -0.707 0.000 0.773 349 L N 5.697 126.332 121.223 -0.980 0.000 2.307 349 L HA 0.589 4.928 4.340 -0.001 0.000 0.282 349 L C -1.088 175.051 176.870 -1.218 0.000 1.051 349 L CA -0.023 54.258 54.840 -0.931 0.000 0.804 349 L CB 0.054 41.751 42.059 -0.604 0.000 1.197 349 L HN 0.144 nan 8.230 nan 0.000 0.431 350 F N 2.290 121.840 119.950 -0.668 0.000 2.563 350 F HA 0.773 5.299 4.527 -0.001 0.000 0.316 350 F C 0.638 176.065 175.800 -0.623 0.000 1.076 350 F CA -0.767 56.810 58.000 -0.705 0.000 0.921 350 F CB 2.163 40.566 39.000 -0.996 0.000 1.209 350 F HN 0.544 nan 8.300 nan 0.000 0.462 351 G N 0.273 109.001 108.800 -0.119 0.000 2.513 351 G HA2 0.550 4.509 3.960 -0.001 0.000 0.317 351 G HA3 0.550 4.509 3.960 -0.001 0.000 0.317 351 G C -1.984 173.005 174.900 0.148 0.000 1.277 351 G CA -0.745 44.387 45.100 0.052 0.000 0.955 351 G HN 0.889 nan 8.290 nan 0.000 0.484 352 C N 3.110 122.497 119.300 0.145 0.000 2.609 352 C HA 0.807 5.266 4.460 -0.001 0.000 0.313 352 C C -1.246 173.955 174.990 0.351 0.000 1.175 352 C CA -0.729 58.447 59.018 0.263 0.000 1.434 352 C CB 0.830 28.750 27.740 0.299 0.000 2.005 352 C HN 0.706 nan 8.230 nan 0.000 0.471 353 L N 6.397 127.851 121.223 0.385 0.000 2.362 353 L HA 0.821 5.160 4.340 -0.001 0.000 0.275 353 L C -0.797 176.287 176.870 0.357 0.000 0.998 353 L CA -0.069 54.981 54.840 0.349 0.000 0.820 353 L CB 1.493 43.753 42.059 0.335 0.000 1.270 353 L HN 0.795 nan 8.230 nan 0.000 0.415 354 Y N 0.743 121.136 120.300 0.155 0.000 2.571 354 Y HA 0.644 5.192 4.550 -0.003 0.000 0.341 354 Y C -0.925 175.047 175.900 0.120 0.000 1.076 354 Y CA -1.190 56.988 58.100 0.130 0.000 1.029 354 Y CB 1.010 39.518 38.460 0.079 0.000 1.308 354 Y HN 0.570 nan 8.280 nan 0.000 0.461 355 E N 1.938 122.274 120.200 0.227 0.000 2.338 355 E HA 0.611 4.960 4.350 -0.001 0.000 0.272 355 E C -0.751 175.920 176.600 0.118 0.000 1.029 355 E CA -0.360 56.126 56.400 0.142 0.000 0.872 355 E CB 1.276 31.131 29.700 0.258 0.000 1.015 355 E HN 0.798 nan 8.360 nan 0.000 0.417 356 A N 3.140 125.954 122.820 -0.009 0.000 2.566 356 A HA 0.508 4.827 4.320 -0.001 0.000 0.292 356 A C -0.273 177.265 177.584 -0.075 0.000 1.112 356 A CA -0.742 51.293 52.037 -0.003 0.000 0.707 356 A CB 1.209 20.229 19.000 0.033 0.000 1.302 356 A HN 0.704 nan 8.150 nan 0.000 0.409 357 N N 0.472 119.125 118.700 -0.077 0.000 2.671 357 N HA -0.180 4.560 4.740 -0.001 0.000 0.261 357 N C -0.150 175.283 175.510 -0.129 0.000 1.053 357 N CA 1.680 54.681 53.050 -0.083 0.000 0.732 357 N CB -0.944 37.522 38.487 -0.035 0.000 0.887 357 N HN 1.077 nan 8.380 nan 0.000 0.546 358 D N 0.382 120.623 120.400 -0.265 0.000 2.723 358 D HA -0.277 4.362 4.640 -0.001 0.000 0.236 358 D C -0.535 175.637 176.300 -0.214 0.000 1.138 358 D CA 1.704 55.510 54.000 -0.322 0.000 0.676 358 D CB -1.401 39.349 40.800 -0.082 0.000 1.069 358 D HN 0.702 nan 8.370 nan 0.000 0.430 359 Y N -2.465 117.845 120.300 0.015 0.000 3.929 359 Y HA -0.280 4.270 4.550 -0.000 0.000 0.225 359 Y C 1.622 177.534 175.900 0.020 0.000 1.200 359 Y CA 1.106 59.211 58.100 0.008 0.000 1.791 359 Y CB -2.258 36.191 38.460 -0.018 0.000 1.561 359 Y HN 0.487 nan 8.280 nan 0.000 0.657 360 E N 1.049 121.298 120.200 0.081 0.000 2.385 360 E HA -0.006 4.343 4.350 -0.001 0.000 0.194 360 E C 0.828 177.484 176.600 0.094 0.000 1.013 360 E CA 1.017 57.465 56.400 0.081 0.000 0.866 360 E CB 0.540 30.264 29.700 0.040 0.000 0.832 360 E HN 0.749 nan 8.360 nan 0.000 0.500 361 E N -0.757 119.487 120.200 0.073 0.000 2.439 361 E HA 0.344 4.693 4.350 -0.001 0.000 0.279 361 E C -1.085 175.531 176.600 0.027 0.000 1.077 361 E CA -0.804 55.635 56.400 0.064 0.000 0.849 361 E CB 0.814 30.518 29.700 0.008 0.000 1.408 361 E HN -0.028 nan 8.360 nan 0.000 0.457 362 I N 1.615 122.197 120.570 0.021 0.000 2.439 362 I HA 0.325 4.494 4.170 -0.001 0.000 0.285 362 I C -0.810 175.221 176.117 -0.143 0.000 1.021 362 I CA -1.146 60.140 61.300 -0.023 0.000 1.091 362 I CB 1.949 40.040 38.000 0.151 0.000 1.242 362 I HN 0.305 nan 8.210 nan 0.000 0.439 363 V N 6.153 125.825 119.914 -0.403 0.000 2.539 363 V HA 0.325 4.444 4.120 -0.001 0.000 0.292 363 V C -0.435 175.544 176.094 -0.191 0.000 1.045 363 V CA -0.619 61.441 62.300 -0.399 0.000 0.945 363 V CB 1.810 33.240 31.823 -0.654 0.000 0.993 363 V HN 0.438 nan 8.190 nan 0.000 0.464 364 F N 5.659 125.515 119.950 -0.157 0.000 2.415 364 F HA 0.740 5.266 4.527 -0.001 0.000 0.348 364 F C -0.799 175.090 175.800 0.148 0.000 1.119 364 F CA -0.919 57.087 58.000 0.010 0.000 1.069 364 F CB 1.243 40.240 39.000 -0.006 0.000 1.124 364 F HN 0.345 nan 8.300 nan 0.000 0.472 365 L N 7.567 128.454 121.223 -0.561 0.000 2.386 365 L HA 0.615 4.954 4.340 -0.001 0.000 0.271 365 L C -1.296 175.184 176.870 -0.650 0.000 0.993 365 L CA -0.601 54.022 54.840 -0.361 0.000 0.819 365 L CB 1.838 43.966 42.059 0.115 0.000 1.294 365 L HN 0.815 nan 8.230 nan 0.000 0.414 366 M N 5.816 125.178 119.600 -0.397 0.000 2.263 366 M HA 0.657 5.136 4.480 -0.001 0.000 0.295 366 M C -1.845 174.461 176.300 0.010 0.000 1.028 366 M CA -0.434 54.694 55.300 -0.288 0.000 0.921 366 M CB 1.290 33.747 32.600 -0.238 0.000 1.601 366 M HN 0.555 nan 8.290 nan 0.000 0.440 367 F N 0.659 120.545 119.950 -0.108 0.000 2.745 367 F HA 0.892 5.418 4.527 -0.000 0.000 0.316 367 F C -0.838 174.927 175.800 -0.059 0.000 1.155 367 F CA -0.767 57.190 58.000 -0.072 0.000 0.937 367 F CB 0.972 39.944 39.000 -0.047 0.000 1.361 367 F HN 0.546 nan 8.300 nan 0.000 0.472 368 T N -0.930 113.653 114.554 0.048 0.000 2.949 368 T HA 0.425 4.774 4.350 -0.001 0.000 0.287 368 T C 0.381 175.168 174.700 0.146 0.000 1.034 368 T CA -0.521 61.505 62.100 -0.123 0.000 1.018 368 T CB 1.725 70.474 68.868 -0.198 0.000 1.135 368 T HN 0.973 nan 8.240 nan 0.000 0.532 369 L N 0.767 122.009 121.223 0.031 0.000 2.083 369 L HA 0.153 4.492 4.340 -0.001 0.000 0.209 369 L C 2.606 179.590 176.870 0.190 0.000 1.083 369 L CA 1.819 56.832 54.840 0.288 0.000 0.752 369 L CB -0.786 41.386 42.059 0.188 0.000 0.899 369 L HN 0.883 nan 8.230 nan 0.000 0.433 370 K N -0.983 119.381 120.400 -0.060 0.000 2.097 370 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 370 K C 2.059 178.705 176.600 0.078 0.000 1.049 370 K CA 1.784 58.079 56.287 0.013 0.000 0.933 370 K CB -0.072 32.369 32.500 -0.098 0.000 0.717 370 K HN 0.537 nan 8.250 nan 0.000 0.442 371 Q N -0.493 119.340 119.800 0.055 0.000 2.079 371 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 371 Q C 2.084 178.061 176.000 -0.038 0.000 0.974 371 Q CA 1.461 57.283 55.803 0.031 0.000 0.840 371 Q CB -0.042 28.732 28.738 0.060 0.000 0.898 371 Q HN 0.385 nan 8.270 nan 0.000 0.430 372 A N 0.089 122.894 122.820 -0.025 0.000 1.898 372 A HA -0.010 4.309 4.320 -0.001 0.000 0.214 372 A C 0.534 177.697 177.584 -0.701 0.000 1.183 372 A CA 0.788 52.598 52.037 -0.378 0.000 0.622 372 A CB 0.139 18.974 19.000 -0.274 0.000 0.824 372 A HN 0.289 nan 8.150 nan 0.000 0.444 373 F N -0.252 119.788 119.950 0.150 0.000 2.584 373 F HA 0.313 4.839 4.527 -0.001 0.000 0.328 373 F C -1.721 174.192 175.800 0.188 0.000 1.407 373 F CA -2.076 56.019 58.000 0.158 0.000 1.145 373 F CB 1.260 40.386 39.000 0.210 0.000 1.440 373 F HN 0.098 nan 8.300 nan 0.000 0.580 374 P HA -0.241 nan 4.420 nan 0.000 0.218 374 P C 1.360 178.799 177.300 0.231 0.000 1.146 374 P CA 1.566 64.795 63.100 0.214 0.000 0.813 374 P CB 0.355 32.128 31.700 0.121 0.000 0.778 375 A N -0.595 122.357 122.820 0.220 0.000 2.167 375 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 375 A C 1.843 179.558 177.584 0.218 0.000 1.151 375 A CA 1.074 53.221 52.037 0.184 0.000 0.735 375 A CB -0.552 18.535 19.000 0.146 0.000 0.802 375 A HN 0.086 nan 8.150 nan 0.000 0.467 376 E N -2.095 118.296 120.200 0.319 0.000 2.389 376 E HA 0.208 4.557 4.350 -0.001 0.000 0.199 376 E C 0.459 177.354 176.600 0.492 0.000 0.978 376 E CA -0.198 56.427 56.400 0.375 0.000 0.912 376 E CB -0.150 29.778 29.700 0.381 0.000 0.907 376 E HN 0.727 nan 8.360 nan 0.000 0.494 377 Y N 0.000 120.480 120.300 0.299 0.000 2.660 377 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 377 Y CA 0.000 58.235 58.100 0.225 0.000 1.940 377 Y CB 0.000 38.571 38.460 0.185 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758