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 3bd0_1_D DATA FIRST_RESID 5 DATA SEQUENCE VVCREASHAG SWYTASGPQL NAQLEGWLSQ VQSTKRPARA IIAPHAGYTY DATA SEQUENCE CGSCAAHAYK QVDPSITRRI FILGPSHHVP LSRCALSSVD IYRTPLYDLR DATA SEQUENCE IDQKIYGELW KTGMFERMSL QTDEDEHSIE MHLPYTAKAM ESHKDEFTII DATA SEQUENCE PVLVGALSES KEQEFGKLFS KYLADPSNLF VVSSDFCHWG QRFRYSYYDE DATA SEQUENCE SQGEIYRSIE HLDKMGMSII EQLDPVSFSN YLKKYHNTIC GRHPIGVLLN DATA SEQUENCE AITELQKNGM NMSFSFLNYA QSSQCRNWQD SSVSYAAGAL TVH 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.090 176.094 -0.007 0.000 1.182 5 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 5 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 6 V N -0.877 119.033 119.914 -0.007 0.000 3.565 6 V HA 0.305 4.425 4.120 -0.000 0.000 0.260 6 V C 0.540 176.638 176.094 0.007 0.000 1.231 6 V CA 0.316 62.613 62.300 -0.004 0.000 1.100 6 V CB 0.479 32.296 31.823 -0.011 0.000 0.807 6 V HN 0.731 nan 8.190 nan 0.000 0.454 7 C N 1.580 120.882 119.300 0.003 0.000 2.382 7 C HA 0.613 5.072 4.460 -0.000 0.000 0.327 7 C C 0.356 175.335 174.990 -0.018 0.000 1.250 7 C CA -0.861 58.161 59.018 0.007 0.000 1.707 7 C CB 1.004 28.745 27.740 0.001 0.000 2.272 7 C HN 0.560 nan 8.230 nan 0.000 0.506 8 R N 2.444 122.920 120.500 -0.040 0.000 2.216 8 R HA 0.192 4.532 4.340 -0.000 0.000 0.332 8 R C -0.020 176.195 176.300 -0.142 0.000 1.056 8 R CA -0.112 55.891 56.100 -0.161 0.000 0.901 8 R CB 0.413 30.440 30.300 -0.454 0.000 1.039 8 R HN 0.713 nan 8.270 nan 0.000 0.456 9 E N 2.422 122.558 120.200 -0.106 0.000 2.404 9 E HA 0.017 4.367 4.350 -0.000 0.000 0.261 9 E C -0.274 176.281 176.600 -0.075 0.000 1.074 9 E CA 0.030 56.386 56.400 -0.073 0.000 0.917 9 E CB 0.981 30.642 29.700 -0.064 0.000 0.965 9 E HN 0.655 nan 8.360 nan 0.000 0.433 10 A N 2.140 124.945 122.820 -0.025 0.000 3.026 10 A HA 0.046 4.366 4.320 -0.000 0.000 0.272 10 A C 1.301 178.880 177.584 -0.008 0.000 1.782 10 A CA 0.155 52.212 52.037 0.034 0.000 1.451 10 A CB -0.854 18.214 19.000 0.113 0.000 1.081 10 A HN 0.500 nan 8.150 nan 0.000 0.611 11 S N 0.040 115.705 115.700 -0.057 0.000 2.547 11 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 11 S C 1.043 175.429 174.600 -0.355 0.000 0.980 11 S CA 1.242 59.325 58.200 -0.195 0.000 0.941 11 S CB -0.509 62.539 63.200 -0.253 0.000 0.763 11 S HN 0.783 nan 8.310 nan 0.000 0.532 12 H N 0.513 119.504 119.070 -0.132 0.000 2.755 12 H HA 0.490 5.045 4.556 -0.000 0.000 0.273 12 H C 0.905 175.979 175.328 -0.423 0.000 1.055 12 H CA 0.131 56.076 56.048 -0.172 0.000 1.191 12 H CB 0.183 29.770 29.762 -0.290 0.000 1.536 12 H HN 0.505 nan 8.280 nan 0.000 0.529 13 A N 0.806 123.360 122.820 -0.443 0.000 2.511 13 A HA 0.388 4.707 4.320 -0.000 0.000 0.242 13 A C 1.510 178.896 177.584 -0.330 0.000 1.069 13 A CA 1.055 52.693 52.037 -0.665 0.000 0.763 13 A CB -0.167 18.716 19.000 -0.195 0.000 1.001 13 A HN 0.590 nan 8.150 nan 0.000 0.498 14 G N 1.061 109.686 108.800 -0.292 0.000 2.490 14 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.214 14 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.214 14 G C 1.521 176.368 174.900 -0.089 0.000 1.151 14 G CA 1.006 46.030 45.100 -0.126 0.000 0.684 14 G HN 1.872 nan 8.290 nan 0.000 0.518 15 S N -0.598 115.062 115.700 -0.066 0.000 2.370 15 S HA 0.158 4.628 4.470 -0.000 0.000 0.214 15 S C 1.802 176.396 174.600 -0.010 0.000 1.033 15 S CA 1.425 59.622 58.200 -0.005 0.000 0.941 15 S CB -0.463 62.786 63.200 0.081 0.000 0.886 15 S HN 0.542 nan 8.310 nan 0.000 0.521 16 W N 2.593 123.823 121.300 -0.117 0.000 2.518 16 W HA 0.306 4.966 4.660 -0.000 0.000 0.273 16 W C 0.669 177.192 176.519 0.007 0.000 1.247 16 W CA -0.048 57.283 57.345 -0.022 0.000 1.288 16 W CB -0.241 29.233 29.460 0.023 0.000 1.107 16 W HN 0.523 nan 8.180 nan 0.000 0.586 17 Y N -4.496 115.876 120.300 0.121 0.000 2.655 17 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 17 Y C 0.070 176.017 175.900 0.079 0.000 1.154 17 Y CA -2.370 55.753 58.100 0.039 0.000 1.055 17 Y CB 0.039 38.387 38.460 -0.187 0.000 1.295 17 Y HN -0.435 nan 8.280 nan 0.000 0.465 18 T N 1.371 116.108 114.554 0.305 0.000 2.902 18 T HA 0.314 4.664 4.350 -0.000 0.000 0.301 18 T C 1.159 175.960 174.700 0.169 0.000 1.012 18 T CA 0.490 62.694 62.100 0.173 0.000 1.151 18 T CB 1.162 70.124 68.868 0.157 0.000 0.946 18 T HN 0.901 nan 8.240 nan 0.000 0.542 19 A N 3.078 125.932 122.820 0.057 0.000 1.970 19 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 19 A C 1.679 179.305 177.584 0.070 0.000 1.170 19 A CA 0.393 52.458 52.037 0.047 0.000 0.645 19 A CB -0.128 18.868 19.000 -0.006 0.000 0.816 19 A HN 0.693 nan 8.150 nan 0.000 0.447 20 S N 0.292 116.026 115.700 0.057 0.000 2.429 20 S HA 0.372 4.842 4.470 -0.000 0.000 0.292 20 S C 1.443 176.075 174.600 0.054 0.000 1.183 20 S CA 0.048 58.275 58.200 0.045 0.000 1.088 20 S CB 0.512 63.727 63.200 0.026 0.000 1.018 20 S HN 0.515 nan 8.310 nan 0.000 0.511 21 G N 7.071 115.903 108.800 0.054 0.000 2.586 21 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 21 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 21 G C -0.896 174.024 174.900 0.032 0.000 1.216 21 G CA 0.947 46.079 45.100 0.054 0.000 0.786 21 G HN 0.638 nan 8.290 nan 0.000 0.583 22 P HA -0.223 nan 4.420 nan 0.000 0.222 22 P C 1.908 179.199 177.300 -0.015 0.000 1.159 22 P CA 1.987 65.088 63.100 0.002 0.000 0.920 22 P CB -0.162 31.539 31.700 0.001 0.000 0.793 23 Q N -1.743 118.051 119.800 -0.010 0.000 2.079 23 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 23 Q C 2.143 178.117 176.000 -0.043 0.000 0.974 23 Q CA 0.918 56.704 55.803 -0.029 0.000 0.840 23 Q CB -0.745 27.986 28.738 -0.012 0.000 0.898 23 Q HN 0.094 nan 8.270 nan 0.000 0.430 24 L N 1.027 122.252 121.223 0.004 0.000 2.017 24 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 24 L C 1.811 178.646 176.870 -0.059 0.000 1.073 24 L CA 2.127 56.978 54.840 0.019 0.000 0.745 24 L CB -0.764 41.355 42.059 0.099 0.000 0.894 24 L HN 0.204 nan 8.230 nan 0.000 0.432 25 N N -0.596 118.077 118.700 -0.044 0.000 2.104 25 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 25 N C 1.833 177.279 175.510 -0.106 0.000 1.024 25 N CA 1.703 54.717 53.050 -0.060 0.000 0.853 25 N CB -0.247 38.230 38.487 -0.016 0.000 1.008 25 N HN 0.509 nan 8.380 nan 0.000 0.424 26 A N 0.216 122.967 122.820 -0.115 0.000 1.883 26 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 26 A C 2.153 179.573 177.584 -0.272 0.000 1.186 26 A CA 1.559 53.504 52.037 -0.154 0.000 0.624 26 A CB -0.824 18.099 19.000 -0.129 0.000 0.822 26 A HN 0.500 nan 8.150 nan 0.000 0.444 27 Q N -0.564 119.016 119.800 -0.367 0.000 2.030 27 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 27 Q C 2.118 177.598 176.000 -0.867 0.000 0.986 27 Q CA 1.690 57.038 55.803 -0.759 0.000 0.843 27 Q CB -0.344 27.930 28.738 -0.774 0.000 0.904 27 Q HN 0.711 nan 8.270 nan 0.000 0.420 28 L N 0.188 121.158 121.223 -0.422 0.000 2.131 28 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 28 L C 2.316 179.131 176.870 -0.091 0.000 1.092 28 L CA 0.927 55.657 54.840 -0.183 0.000 0.759 28 L CB -0.340 41.504 42.059 -0.358 0.000 0.903 28 L HN 0.243 nan 8.230 nan 0.000 0.435 29 E N 0.664 120.778 120.200 -0.144 0.000 2.051 29 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 29 E C 2.214 178.759 176.600 -0.092 0.000 0.991 29 E CA 1.509 57.856 56.400 -0.088 0.000 0.799 29 E CB -0.283 29.358 29.700 -0.098 0.000 0.748 29 E HN 0.360 nan 8.360 nan 0.000 0.449 30 G N 0.173 108.846 108.800 -0.213 0.000 2.421 30 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 30 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 30 G C 1.107 175.959 174.900 -0.079 0.000 1.171 30 G CA 0.873 45.846 45.100 -0.212 0.000 0.775 30 G HN 0.271 nan 8.290 nan 0.000 0.543 31 W N 0.659 121.946 121.300 -0.022 0.000 2.355 31 W HA 0.100 4.759 4.660 -0.000 0.000 0.309 31 W C 2.535 179.050 176.519 -0.006 0.000 1.206 31 W CA 0.340 57.687 57.345 0.004 0.000 1.284 31 W CB -1.169 28.315 29.460 0.040 0.000 1.145 31 W HN 0.162 nan 8.180 nan 0.000 0.502 32 L N 0.817 122.174 121.223 0.224 0.000 2.141 32 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 32 L C 2.598 179.497 176.870 0.047 0.000 1.094 32 L CA 1.718 56.638 54.840 0.133 0.000 0.763 32 L CB -0.865 41.276 42.059 0.137 0.000 0.908 32 L HN -0.048 nan 8.230 nan 0.000 0.437 33 S N -1.301 114.420 115.700 0.034 0.000 2.481 33 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 33 S C 1.693 176.296 174.600 0.006 0.000 0.996 33 S CA 0.438 58.644 58.200 0.010 0.000 0.942 33 S CB -0.165 63.033 63.200 -0.004 0.000 0.768 33 S HN 0.486 nan 8.310 nan 0.000 0.520 34 Q N 0.576 120.386 119.800 0.015 0.000 2.425 34 Q HA 0.253 4.593 4.340 -0.000 0.000 0.204 34 Q C -0.384 175.591 176.000 -0.041 0.000 0.933 34 Q CA 0.140 55.952 55.803 0.015 0.000 0.939 34 Q CB 0.355 29.132 28.738 0.065 0.000 1.044 34 Q HN 0.405 nan 8.270 nan 0.000 0.513 35 V N 2.159 122.006 119.914 -0.113 0.000 2.472 35 V HA 0.134 4.254 4.120 -0.000 0.000 0.290 35 V C -0.099 175.950 176.094 -0.074 0.000 1.037 35 V CA -0.774 61.406 62.300 -0.200 0.000 0.908 35 V CB 1.411 33.004 31.823 -0.383 0.000 0.985 35 V HN 0.211 nan 8.190 nan 0.000 0.454 36 Q N 2.784 122.564 119.800 -0.033 0.000 2.245 36 Q HA 0.543 4.883 4.340 -0.000 0.000 0.256 36 Q C -0.488 175.507 176.000 -0.009 0.000 0.942 36 Q CA -0.588 55.209 55.803 -0.010 0.000 0.896 36 Q CB 1.464 30.205 28.738 0.006 0.000 1.272 36 Q HN 0.623 nan 8.270 nan 0.000 0.442 37 S N 2.277 117.971 115.700 -0.011 0.000 2.515 37 S HA 0.081 4.550 4.470 -0.000 0.000 0.285 37 S C 0.627 175.218 174.600 -0.014 0.000 1.265 37 S CA 0.145 58.336 58.200 -0.015 0.000 1.079 37 S CB 0.701 63.894 63.200 -0.012 0.000 0.877 37 S HN 0.879 nan 8.310 nan 0.000 0.493 38 T N -0.815 113.726 114.554 -0.022 0.000 2.993 38 T HA 0.240 4.590 4.350 -0.000 0.000 0.260 38 T C 0.664 175.338 174.700 -0.043 0.000 0.939 38 T CA -0.423 61.663 62.100 -0.024 0.000 0.886 38 T CB 0.123 68.983 68.868 -0.014 0.000 1.209 38 T HN 0.385 nan 8.240 nan 0.000 0.518 39 K N 1.377 121.741 120.400 -0.060 0.000 2.506 39 K HA 0.336 4.656 4.320 -0.000 0.000 0.204 39 K C 0.023 176.574 176.600 -0.082 0.000 1.045 39 K CA -0.328 55.908 56.287 -0.085 0.000 1.074 39 K CB 0.998 33.417 32.500 -0.135 0.000 0.842 39 K HN 0.381 nan 8.250 nan 0.000 0.514 40 R N 2.277 122.740 120.500 -0.061 0.000 2.623 40 R HA 0.079 4.418 4.340 -0.000 0.000 0.271 40 R C -2.138 174.127 176.300 -0.058 0.000 1.043 40 R CA -0.981 55.087 56.100 -0.055 0.000 1.083 40 R CB -0.261 30.016 30.300 -0.039 0.000 0.974 40 R HN -0.048 nan 8.270 nan 0.000 0.436 41 P HA 0.199 nan 4.420 nan 0.000 0.295 41 P C -0.948 176.320 177.300 -0.053 0.000 1.354 41 P CA -0.572 62.498 63.100 -0.049 0.000 0.814 41 P CB 1.355 33.032 31.700 -0.040 0.000 0.935 42 A N 3.569 126.347 122.820 -0.070 0.000 2.566 42 A HA -0.027 4.293 4.320 -0.000 0.000 0.245 42 A C 1.429 178.987 177.584 -0.044 0.000 1.056 42 A CA 0.145 52.129 52.037 -0.089 0.000 0.757 42 A CB 0.006 18.928 19.000 -0.130 0.000 0.979 42 A HN 0.502 nan 8.150 nan 0.000 0.508 43 R N 1.377 121.859 120.500 -0.029 0.000 2.189 43 R HA 0.393 4.732 4.340 -0.000 0.000 0.203 43 R C 0.474 176.814 176.300 0.067 0.000 1.012 43 R CA 1.416 57.534 56.100 0.030 0.000 1.015 43 R CB 0.145 30.462 30.300 0.028 0.000 0.938 43 R HN 0.956 nan 8.270 nan 0.000 0.472 44 A N 0.252 123.080 122.820 0.014 0.000 2.556 44 A HA 0.662 4.982 4.320 -0.000 0.000 0.294 44 A C -1.093 176.459 177.584 -0.052 0.000 1.091 44 A CA -0.862 51.203 52.037 0.046 0.000 0.704 44 A CB 1.104 20.152 19.000 0.079 0.000 1.300 44 A HN 0.274 nan 8.150 nan 0.000 0.406 45 I N -1.466 119.070 120.570 -0.055 0.000 2.865 45 I HA 0.757 4.927 4.170 -0.000 0.000 0.302 45 I C -1.372 174.735 176.117 -0.017 0.000 1.140 45 I CA -1.019 60.200 61.300 -0.135 0.000 1.021 45 I CB 2.087 39.904 38.000 -0.305 0.000 1.233 45 I HN 0.492 nan 8.210 nan 0.000 0.427 46 I N 4.074 124.680 120.570 0.060 0.000 2.378 46 I HA 0.793 4.963 4.170 -0.000 0.000 0.291 46 I C -0.031 176.179 176.117 0.155 0.000 0.992 46 I CA -0.403 60.991 61.300 0.156 0.000 1.154 46 I CB 1.788 39.970 38.000 0.303 0.000 1.315 46 I HN 0.877 nan 8.210 nan 0.000 0.448 47 A N 8.357 131.298 122.820 0.201 0.000 2.572 47 A HA 0.869 5.189 4.320 -0.000 0.000 0.295 47 A C -2.875 174.927 177.584 0.364 0.000 1.072 47 A CA -1.433 50.756 52.037 0.253 0.000 0.691 47 A CB 1.924 21.033 19.000 0.181 0.000 1.291 47 A HN 0.372 nan 8.150 nan 0.000 0.404 48 P HA 0.252 nan 4.420 nan 0.000 0.274 48 P C -0.509 176.888 177.300 0.162 0.000 1.256 48 P CA 0.187 63.400 63.100 0.188 0.000 0.795 48 P CB 0.385 32.136 31.700 0.085 0.000 1.038 49 H N -1.532 117.663 119.070 0.208 0.000 2.885 49 H HA 0.510 5.066 4.556 -0.000 0.000 0.254 49 H C 0.006 175.520 175.328 0.310 0.000 1.185 49 H CA -0.657 55.480 56.048 0.148 0.000 1.029 49 H CB -0.155 29.680 29.762 0.121 0.000 1.743 49 H HN 0.355 nan 8.280 nan 0.000 0.632 50 A N 1.303 124.288 122.820 0.274 0.000 2.366 50 A HA 0.433 4.753 4.320 -0.000 0.000 0.250 50 A C 1.138 178.991 177.584 0.448 0.000 1.099 50 A CA 0.265 52.542 52.037 0.400 0.000 0.794 50 A CB -0.266 18.828 19.000 0.157 0.000 1.056 50 A HN 0.559 nan 8.150 nan 0.000 0.499 51 G N -1.243 107.873 108.800 0.527 0.000 2.414 51 G HA2 0.194 4.154 3.960 -0.000 0.000 0.236 51 G HA3 0.194 4.154 3.960 -0.000 0.000 0.236 51 G C 0.451 175.579 174.900 0.381 0.000 1.293 51 G CA -0.003 45.370 45.100 0.455 0.000 0.869 51 G HN 0.727 nan 8.290 nan 0.000 0.556 52 Y N 0.519 120.936 120.300 0.195 0.000 2.403 52 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 52 Y C 3.136 179.000 175.900 -0.060 0.000 1.143 52 Y CA 1.004 59.110 58.100 0.010 0.000 1.257 52 Y CB 0.210 38.754 38.460 0.139 0.000 0.984 52 Y HN 0.654 nan 8.280 nan 0.000 0.550 53 T N -0.792 113.829 114.554 0.111 0.000 3.007 53 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 53 T C 0.968 175.510 174.700 -0.262 0.000 1.107 53 T CA 1.389 63.431 62.100 -0.097 0.000 1.118 53 T CB -0.306 68.421 68.868 -0.235 0.000 0.889 53 T HN 0.414 nan 8.240 nan 0.000 0.506 54 Y N -0.217 120.111 120.300 0.046 0.000 2.558 54 Y HA 0.310 4.860 4.550 -0.000 0.000 0.273 54 Y C 2.770 178.558 175.900 -0.186 0.000 1.100 54 Y CA -0.101 58.010 58.100 0.018 0.000 1.276 54 Y CB -0.378 38.163 38.460 0.134 0.000 1.196 54 Y HN 0.527 nan 8.280 nan 0.000 0.527 55 C N -0.970 118.191 119.300 -0.232 0.000 3.336 55 C HA 0.627 5.087 4.460 -0.000 0.000 0.291 55 C C 2.317 177.047 174.990 -0.432 0.000 1.363 55 C CA -0.002 58.672 59.018 -0.574 0.000 1.737 55 C CB -0.709 26.359 27.740 -1.120 0.000 2.274 55 C HN 0.516 nan 8.230 nan 0.000 0.663 56 G N 2.257 110.696 108.800 -0.602 0.000 2.422 56 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 56 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 56 G C 1.682 175.842 174.900 -1.235 0.000 1.146 56 G CA 1.464 45.808 45.100 -1.261 0.000 0.769 56 G HN 0.650 nan 8.290 nan 0.000 0.547 57 S N -0.511 114.617 115.700 -0.954 0.000 2.436 57 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 57 S C 2.261 176.841 174.600 -0.033 0.000 1.014 57 S CA 0.737 58.685 58.200 -0.420 0.000 0.950 57 S CB -0.474 62.702 63.200 -0.038 0.000 0.784 57 S HN 0.543 nan 8.310 nan 0.000 0.504 58 C N 2.608 121.857 119.300 -0.085 0.000 2.508 58 C HA 0.168 4.627 4.460 -0.000 0.000 0.280 58 C C 3.031 178.046 174.990 0.042 0.000 1.262 58 C CA 0.854 59.893 59.018 0.034 0.000 1.706 58 C CB -1.479 26.258 27.740 -0.005 0.000 2.078 58 C HN 0.577 nan 8.230 nan 0.000 0.480 59 A N 0.783 123.541 122.820 -0.105 0.000 1.948 59 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 59 A C 2.496 179.956 177.584 -0.207 0.000 1.177 59 A CA 2.548 54.489 52.037 -0.160 0.000 0.636 59 A CB -1.285 17.533 19.000 -0.303 0.000 0.815 59 A HN 1.070 nan 8.150 nan 0.000 0.449 60 A N -1.304 121.412 122.820 -0.174 0.000 2.024 60 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 60 A C 1.952 179.513 177.584 -0.038 0.000 1.164 60 A CA 1.572 53.593 52.037 -0.027 0.000 0.643 60 A CB -0.962 18.135 19.000 0.162 0.000 0.806 60 A HN 0.738 nan 8.150 nan 0.000 0.451 61 H N -0.856 118.201 119.070 -0.020 0.000 2.423 61 H HA -0.017 4.539 4.556 -0.000 0.000 0.297 61 H C 2.501 177.786 175.328 -0.071 0.000 1.075 61 H CA 1.325 57.362 56.048 -0.018 0.000 1.342 61 H CB -0.063 29.699 29.762 0.000 0.000 1.395 61 H HN 0.582 nan 8.280 nan 0.000 0.530 62 A N 0.551 123.358 122.820 -0.022 0.000 1.855 62 A HA -0.129 4.191 4.320 -0.000 0.000 0.213 62 A C 1.947 179.379 177.584 -0.253 0.000 1.195 62 A CA 0.795 52.719 52.037 -0.187 0.000 0.610 62 A CB -0.890 17.942 19.000 -0.280 0.000 0.837 62 A HN 0.273 nan 8.150 nan 0.000 0.444 63 Y N 0.053 120.253 120.300 -0.167 0.000 2.333 63 Y HA -0.127 4.423 4.550 -0.000 0.000 0.290 63 Y C 2.251 178.117 175.900 -0.056 0.000 1.144 63 Y CA 1.746 59.769 58.100 -0.128 0.000 1.228 63 Y CB -0.113 38.217 38.460 -0.216 0.000 0.985 63 Y HN 0.300 nan 8.280 nan 0.000 0.542 64 K N 0.142 120.580 120.400 0.063 0.000 2.365 64 K HA -0.106 4.214 4.320 -0.000 0.000 0.199 64 K C 1.421 178.020 176.600 -0.003 0.000 1.045 64 K CA 0.862 57.170 56.287 0.034 0.000 0.962 64 K CB 0.090 32.586 32.500 -0.007 0.000 0.759 64 K HN 0.159 nan 8.250 nan 0.000 0.469 65 Q N -0.145 119.632 119.800 -0.039 0.000 2.425 65 Q HA 0.087 4.427 4.340 -0.000 0.000 0.204 65 Q C -0.125 175.839 176.000 -0.060 0.000 0.933 65 Q CA 0.180 55.944 55.803 -0.066 0.000 0.939 65 Q CB 0.256 28.924 28.738 -0.116 0.000 1.044 65 Q HN 0.056 nan 8.270 nan 0.000 0.513 66 V N 2.740 122.633 119.914 -0.035 0.000 2.530 66 V HA 0.058 4.178 4.120 -0.000 0.000 0.282 66 V C 0.089 176.176 176.094 -0.011 0.000 1.048 66 V CA -0.531 61.755 62.300 -0.023 0.000 0.997 66 V CB 1.177 33.008 31.823 0.012 0.000 0.987 66 V HN 0.023 nan 8.190 nan 0.000 0.477 67 D N 6.840 127.225 120.400 -0.025 0.000 2.396 67 D HA 0.321 4.961 4.640 -0.000 0.000 0.225 67 D C -1.638 174.637 176.300 -0.042 0.000 1.121 67 D CA -2.206 51.780 54.000 -0.024 0.000 0.853 67 D CB 2.041 42.822 40.800 -0.032 0.000 1.043 67 D HN 0.205 nan 8.370 nan 0.000 0.500 68 P HA -0.092 nan 4.420 nan 0.000 0.218 68 P C 1.366 178.526 177.300 -0.235 0.000 1.148 68 P CA 0.670 63.757 63.100 -0.021 0.000 0.822 68 P CB 0.384 32.172 31.700 0.147 0.000 0.784 69 S N -1.357 114.222 115.700 -0.202 0.000 2.400 69 S HA -0.079 4.390 4.470 -0.000 0.000 0.232 69 S C 1.677 176.131 174.600 -0.243 0.000 1.025 69 S CA 1.021 59.045 58.200 -0.293 0.000 0.993 69 S CB -0.635 62.523 63.200 -0.070 0.000 0.808 69 S HN 0.135 nan 8.310 nan 0.000 0.478 70 I N -0.695 119.787 120.570 -0.146 0.000 3.565 70 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 70 I C 0.206 176.291 176.117 -0.053 0.000 1.193 70 I CA 0.339 61.592 61.300 -0.079 0.000 1.402 70 I CB -0.156 37.816 38.000 -0.045 0.000 1.284 70 I HN 0.046 nan 8.210 nan 0.000 0.454 71 T N 2.955 117.476 114.554 -0.055 0.000 2.870 71 T HA 0.201 4.551 4.350 -0.000 0.000 0.300 71 T C 0.991 175.692 174.700 0.002 0.000 0.989 71 T CA -0.064 62.027 62.100 -0.015 0.000 1.139 71 T CB 1.406 70.254 68.868 -0.033 0.000 0.920 71 T HN 0.143 nan 8.240 nan 0.000 0.537 72 R N 1.909 122.447 120.500 0.063 0.000 2.412 72 R HA 0.220 4.560 4.340 -0.000 0.000 0.212 72 R C 0.216 176.610 176.300 0.156 0.000 0.878 72 R CA 0.246 56.415 56.100 0.116 0.000 1.022 72 R CB 0.636 30.988 30.300 0.086 0.000 1.265 72 R HN 0.489 nan 8.270 nan 0.000 0.620 73 R N 0.459 121.030 120.500 0.118 0.000 2.502 73 R HA 0.483 4.823 4.340 -0.000 0.000 0.298 73 R C -1.001 175.330 176.300 0.052 0.000 1.018 73 R CA -0.449 55.686 56.100 0.059 0.000 0.899 73 R CB 2.028 32.343 30.300 0.024 0.000 1.181 73 R HN -0.133 nan 8.270 nan 0.000 0.444 74 I N 3.845 124.404 120.570 -0.019 0.000 2.354 74 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 74 I C -0.628 175.371 176.117 -0.197 0.000 1.007 74 I CA -0.409 60.878 61.300 -0.022 0.000 1.167 74 I CB 0.724 38.737 38.000 0.023 0.000 1.320 74 I HN 0.352 nan 8.210 nan 0.000 0.458 75 F N 6.837 126.549 119.950 -0.397 0.000 2.427 75 F HA 0.446 4.973 4.527 -0.000 0.000 0.352 75 F C 0.376 175.965 175.800 -0.352 0.000 1.100 75 F CA -0.369 57.326 58.000 -0.509 0.000 1.191 75 F CB 0.562 38.883 39.000 -1.131 0.000 1.128 75 F HN 0.207 nan 8.300 nan 0.000 0.533 76 I N 5.199 125.712 120.570 -0.095 0.000 2.411 76 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 76 I C -0.999 175.085 176.117 -0.056 0.000 1.012 76 I CA -0.407 60.844 61.300 -0.082 0.000 1.119 76 I CB 1.141 39.115 38.000 -0.043 0.000 1.261 76 I HN 0.327 nan 8.210 nan 0.000 0.448 77 L N 6.460 127.638 121.223 -0.074 0.000 2.283 77 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 77 L C 0.461 177.313 176.870 -0.030 0.000 1.033 77 L CA -0.463 54.348 54.840 -0.049 0.000 0.848 77 L CB 0.926 42.936 42.059 -0.082 0.000 1.226 77 L HN 0.635 nan 8.230 nan 0.000 0.429 78 G N 3.411 112.211 108.800 0.000 0.000 2.420 78 G HA2 0.699 4.659 3.960 -0.000 0.000 0.331 78 G HA3 0.699 4.659 3.960 -0.000 0.000 0.331 78 G C -2.854 172.053 174.900 0.010 0.000 1.168 78 G CA -1.312 43.791 45.100 0.006 0.000 0.936 78 G HN 0.244 nan 8.290 nan 0.000 0.479 79 P HA 0.207 nan 4.420 nan 0.000 0.276 79 P C 0.060 177.377 177.300 0.027 0.000 1.244 79 P CA -0.254 62.849 63.100 0.005 0.000 0.801 79 P CB 1.446 33.120 31.700 -0.044 0.000 1.006 80 S N 0.958 116.683 115.700 0.042 0.000 2.525 80 S HA 0.303 4.773 4.470 -0.000 0.000 0.278 80 S C 0.415 175.057 174.600 0.071 0.000 1.234 80 S CA -0.254 58.010 58.200 0.106 0.000 1.058 80 S CB 0.322 63.577 63.200 0.092 0.000 0.983 80 S HN 0.395 nan 8.310 nan 0.000 0.495 81 H N 0.891 119.860 119.070 -0.168 0.000 2.604 81 H HA 0.254 4.810 4.556 -0.000 0.000 0.273 81 H C 1.426 176.630 175.328 -0.206 0.000 0.971 81 H CA 0.962 56.876 56.048 -0.224 0.000 1.249 81 H CB -0.063 29.481 29.762 -0.363 0.000 1.449 81 H HN 0.726 nan 8.280 nan 0.000 0.512 82 H N -0.144 119.056 119.070 0.216 0.000 2.361 82 H HA 0.166 4.721 4.556 -0.000 0.000 0.308 82 H C 0.746 176.139 175.328 0.108 0.000 1.053 82 H CA 1.030 57.167 56.048 0.150 0.000 1.377 82 H CB -0.006 29.832 29.762 0.127 0.000 1.434 82 H HN 0.181 nan 8.280 nan 0.000 0.548 83 V N 1.187 121.225 119.914 0.206 0.000 2.716 83 V HA 0.421 4.540 4.120 -0.000 0.000 0.304 83 V C -2.270 173.883 176.094 0.099 0.000 1.053 83 V CA -2.091 60.291 62.300 0.137 0.000 0.984 83 V CB 1.644 33.540 31.823 0.120 0.000 1.021 83 V HN 0.006 nan 8.190 nan 0.000 0.467 84 P HA 0.430 nan 4.420 nan 0.000 0.271 84 P C -1.128 176.206 177.300 0.058 0.000 1.220 84 P CA -0.051 63.086 63.100 0.061 0.000 0.768 84 P CB 1.242 32.974 31.700 0.053 0.000 0.848 85 L N 3.221 124.472 121.223 0.046 0.000 2.528 85 L HA 0.241 4.581 4.340 -0.000 0.000 0.267 85 L C 0.844 177.724 176.870 0.017 0.000 0.961 85 L CA 0.056 54.921 54.840 0.042 0.000 0.866 85 L CB 1.551 43.642 42.059 0.052 0.000 1.248 85 L HN 0.437 nan 8.230 nan 0.000 0.404 86 S N 3.086 118.797 115.700 0.018 0.000 2.575 86 S HA 0.337 4.807 4.470 -0.000 0.000 0.215 86 S C 0.809 175.419 174.600 0.017 0.000 0.966 86 S CA -0.115 58.085 58.200 0.001 0.000 0.911 86 S CB 0.300 63.503 63.200 0.006 0.000 0.780 86 S HN 0.701 nan 8.310 nan 0.000 0.514 87 R N -0.359 120.163 120.500 0.036 0.000 3.379 87 R HA 0.714 5.054 4.340 -0.000 0.000 0.189 87 R C -0.933 175.338 176.300 -0.049 0.000 1.353 87 R CA -0.410 55.736 56.100 0.077 0.000 0.804 87 R CB -0.161 30.217 30.300 0.130 0.000 1.496 87 R HN 0.209 nan 8.270 nan 0.000 0.465 88 C N 0.504 119.723 119.300 -0.136 0.000 2.561 88 C HA 0.928 5.388 4.460 -0.000 0.000 0.319 88 C C -0.340 174.767 174.990 0.195 0.000 1.198 88 C CA -0.607 58.330 59.018 -0.135 0.000 1.665 88 C CB 1.367 28.783 27.740 -0.540 0.000 2.258 88 C HN 0.730 nan 8.230 nan 0.000 0.493 89 A N 2.580 125.561 122.820 0.268 0.000 2.374 89 A HA 0.925 5.245 4.320 -0.000 0.000 0.317 89 A C -1.079 176.680 177.584 0.291 0.000 1.094 89 A CA -0.430 51.799 52.037 0.319 0.000 0.765 89 A CB 0.739 19.866 19.000 0.213 0.000 1.268 89 A HN 0.855 nan 8.150 nan 0.000 0.438 90 L N 0.783 122.127 121.223 0.201 0.000 2.322 90 L HA 0.558 4.898 4.340 -0.000 0.000 0.269 90 L C 0.907 177.849 176.870 0.121 0.000 1.012 90 L CA -0.783 54.071 54.840 0.023 0.000 0.815 90 L CB 1.872 43.624 42.059 -0.511 0.000 1.295 90 L HN 0.751 nan 8.230 nan 0.000 0.438 91 S N -0.023 115.859 115.700 0.303 0.000 2.579 91 S HA 0.057 4.527 4.470 -0.000 0.000 0.275 91 S C 0.910 175.631 174.600 0.202 0.000 1.345 91 S CA -0.078 58.302 58.200 0.301 0.000 1.031 91 S CB 0.783 64.228 63.200 0.409 0.000 0.892 91 S HN 0.726 nan 8.310 nan 0.000 0.529 92 S N 2.003 117.773 115.700 0.116 0.000 2.557 92 S HA 0.293 4.762 4.470 -0.000 0.000 0.223 92 S C 0.371 174.995 174.600 0.041 0.000 0.969 92 S CA -0.048 58.171 58.200 0.031 0.000 0.927 92 S CB -0.616 62.580 63.200 -0.006 0.000 0.806 92 S HN 0.822 nan 8.310 nan 0.000 0.489 93 V N -1.821 118.149 119.914 0.093 0.000 3.177 93 V HA 0.590 4.710 4.120 -0.000 0.000 0.319 93 V C 0.132 176.245 176.094 0.032 0.000 1.125 93 V CA -0.766 61.574 62.300 0.066 0.000 1.029 93 V CB 1.273 33.149 31.823 0.089 0.000 1.119 93 V HN 0.066 nan 8.190 nan 0.000 0.452 94 D N 0.011 120.412 120.400 0.002 0.000 2.355 94 D HA 0.334 4.973 4.640 -0.000 0.000 0.206 94 D C 0.320 176.580 176.300 -0.065 0.000 1.010 94 D CA 1.038 55.003 54.000 -0.059 0.000 0.875 94 D CB 1.020 41.787 40.800 -0.055 0.000 0.966 94 D HN 0.499 nan 8.370 nan 0.000 0.512 95 I N 0.511 121.099 120.570 0.030 0.000 2.582 95 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 95 I C -1.317 174.954 176.117 0.258 0.000 1.066 95 I CA -0.919 60.415 61.300 0.058 0.000 1.053 95 I CB 2.337 40.348 38.000 0.019 0.000 1.241 95 I HN -0.263 nan 8.210 nan 0.000 0.421 96 Y N 4.885 125.139 120.300 -0.077 0.000 2.342 96 Y HA 0.465 5.015 4.550 -0.000 0.000 0.338 96 Y C 0.349 176.224 175.900 -0.042 0.000 0.965 96 Y CA -0.935 57.135 58.100 -0.050 0.000 1.159 96 Y CB 1.130 39.559 38.460 -0.052 0.000 1.157 96 Y HN 0.348 nan 8.280 nan 0.000 0.486 97 R N 1.458 121.996 120.500 0.065 0.000 2.560 97 R HA 0.689 5.029 4.340 -0.000 0.000 0.270 97 R C -0.567 175.755 176.300 0.036 0.000 1.074 97 R CA -0.304 55.818 56.100 0.036 0.000 1.140 97 R CB 0.916 31.226 30.300 0.017 0.000 1.073 97 R HN 0.560 nan 8.270 nan 0.000 0.527 98 T N 1.544 116.111 114.554 0.022 0.000 2.932 98 T HA 0.194 4.544 4.350 -0.000 0.000 0.318 98 T C -2.233 172.489 174.700 0.035 0.000 1.265 98 T CA -1.062 61.044 62.100 0.009 0.000 1.036 98 T CB 2.163 70.966 68.868 -0.109 0.000 1.209 98 T HN 0.325 nan 8.240 nan 0.000 0.484 99 P HA 0.089 nan 4.420 nan 0.000 0.222 99 P C 1.242 178.582 177.300 0.067 0.000 1.147 99 P CA 0.627 63.777 63.100 0.083 0.000 0.790 99 P CB 0.270 32.050 31.700 0.133 0.000 0.780 100 L N -2.263 118.980 121.223 0.034 0.000 2.056 100 L HA 0.060 4.400 4.340 -0.000 0.000 0.202 100 L C 0.866 177.866 176.870 0.217 0.000 1.086 100 L CA 0.973 55.867 54.840 0.091 0.000 0.758 100 L CB -0.528 41.554 42.059 0.038 0.000 0.912 100 L HN 0.059 nan 8.230 nan 0.000 0.446 101 Y N -3.311 117.018 120.300 0.049 0.000 2.641 101 Y HA 0.446 4.996 4.550 -0.000 0.000 0.333 101 Y C -1.550 174.376 175.900 0.043 0.000 1.174 101 Y CA -1.850 56.274 58.100 0.039 0.000 1.057 101 Y CB 0.290 38.770 38.460 0.035 0.000 1.322 101 Y HN -0.138 nan 8.280 nan 0.000 0.457 102 D N 2.354 122.833 120.400 0.132 0.000 2.304 102 D HA 0.472 5.112 4.640 -0.000 0.000 0.247 102 D C -0.465 175.850 176.300 0.025 0.000 1.089 102 D CA 0.016 54.040 54.000 0.040 0.000 0.910 102 D CB 1.511 42.341 40.800 0.051 0.000 1.199 102 D HN 0.600 nan 8.370 nan 0.000 0.426 103 L N 1.144 122.348 121.223 -0.032 0.000 2.334 103 L HA 0.517 4.857 4.340 -0.000 0.000 0.276 103 L C 0.481 177.261 176.870 -0.150 0.000 1.014 103 L CA -0.964 53.807 54.840 -0.115 0.000 0.815 103 L CB 1.569 43.579 42.059 -0.081 0.000 1.268 103 L HN 0.023 nan 8.230 nan 0.000 0.428 104 R N 2.396 122.746 120.500 -0.249 0.000 2.312 104 R HA 0.561 4.901 4.340 -0.000 0.000 0.311 104 R C -0.615 175.486 176.300 -0.331 0.000 1.004 104 R CA -0.652 55.301 56.100 -0.245 0.000 0.902 104 R CB 1.678 31.844 30.300 -0.223 0.000 1.073 104 R HN 0.505 nan 8.270 nan 0.000 0.457 105 I N 2.030 122.373 120.570 -0.379 0.000 2.496 105 I HA -0.050 4.120 4.170 -0.000 0.000 0.285 105 I C 0.688 176.536 176.117 -0.449 0.000 1.080 105 I CA -0.007 60.957 61.300 -0.559 0.000 1.404 105 I CB 0.617 38.145 38.000 -0.786 0.000 1.403 105 I HN 0.480 nan 8.210 nan 0.000 0.539 106 D N 6.903 127.033 120.400 -0.450 0.000 2.346 106 D HA -0.058 4.582 4.640 -0.000 0.000 0.267 106 D C 0.978 177.147 176.300 -0.219 0.000 1.320 106 D CA -0.060 53.764 54.000 -0.294 0.000 0.951 106 D CB 0.966 41.593 40.800 -0.287 0.000 1.079 106 D HN 0.458 nan 8.370 nan 0.000 0.509 107 Q N 3.472 123.187 119.800 -0.142 0.000 2.135 107 Q HA -0.190 4.149 4.340 -0.000 0.000 0.204 107 Q C 1.771 177.780 176.000 0.015 0.000 0.981 107 Q CA 1.127 56.898 55.803 -0.053 0.000 0.856 107 Q CB -0.151 28.560 28.738 -0.045 0.000 0.902 107 Q HN 0.588 nan 8.270 nan 0.000 0.425 108 K N 0.344 120.744 120.400 0.000 0.000 1.985 108 K HA -0.091 4.229 4.320 -0.000 0.000 0.210 108 K C 2.173 178.815 176.600 0.069 0.000 1.047 108 K CA 1.076 57.387 56.287 0.039 0.000 0.932 108 K CB -0.216 32.306 32.500 0.038 0.000 0.716 108 K HN 0.107 nan 8.250 nan 0.000 0.439 109 I N 0.245 120.836 120.570 0.034 0.000 2.226 109 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 109 I C 2.040 178.206 176.117 0.081 0.000 1.100 109 I CA 1.051 62.366 61.300 0.025 0.000 1.374 109 I CB -0.206 37.709 38.000 -0.141 0.000 1.057 109 I HN 0.271 nan 8.210 nan 0.000 0.413 110 Y N 1.213 121.436 120.300 -0.129 0.000 2.315 110 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 110 Y C 2.396 178.287 175.900 -0.015 0.000 1.154 110 Y CA 1.260 59.291 58.100 -0.115 0.000 1.229 110 Y CB -1.028 37.341 38.460 -0.152 0.000 0.980 110 Y HN 0.128 nan 8.280 nan 0.000 0.540 111 G N -0.937 107.939 108.800 0.128 0.000 2.404 111 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.213 111 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.213 111 G C 1.554 176.546 174.900 0.153 0.000 1.189 111 G CA 0.639 45.818 45.100 0.131 0.000 0.796 111 G HN 0.373 nan 8.290 nan 0.000 0.532 112 E N 0.133 120.417 120.200 0.140 0.000 2.049 112 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 112 E C 2.583 179.272 176.600 0.148 0.000 1.007 112 E CA 0.861 57.358 56.400 0.162 0.000 0.809 112 E CB -0.250 29.594 29.700 0.241 0.000 0.749 112 E HN 0.321 nan 8.360 nan 0.000 0.450 113 L N 0.239 121.521 121.223 0.098 0.000 2.012 113 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 113 L C 2.509 179.379 176.870 -0.000 0.000 1.073 113 L CA 1.387 56.214 54.840 -0.023 0.000 0.748 113 L CB -0.642 41.216 42.059 -0.335 0.000 0.891 113 L HN 0.504 nan 8.230 nan 0.000 0.431 114 W N 1.665 122.854 121.300 -0.185 0.000 2.363 114 W HA -0.224 4.436 4.660 -0.000 0.000 0.296 114 W C 2.145 178.679 176.519 0.024 0.000 1.212 114 W CA 1.317 58.603 57.345 -0.098 0.000 1.260 114 W CB 0.014 29.404 29.460 -0.117 0.000 1.131 114 W HN 0.144 nan 8.180 nan 0.000 0.530 115 K N -0.231 120.193 120.400 0.040 0.000 2.439 115 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 115 K C 1.978 178.538 176.600 -0.067 0.000 1.041 115 K CA 1.629 57.899 56.287 -0.029 0.000 0.970 115 K CB -0.226 32.311 32.500 0.063 0.000 0.773 115 K HN 0.162 nan 8.250 nan 0.000 0.479 116 T N -2.422 112.118 114.554 -0.023 0.000 2.995 116 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 116 T C 1.532 176.170 174.700 -0.103 0.000 1.091 116 T CA 0.854 62.942 62.100 -0.019 0.000 1.128 116 T CB -0.268 68.646 68.868 0.078 0.000 0.891 116 T HN 0.315 nan 8.240 nan 0.000 0.492 117 G N 1.270 109.948 108.800 -0.202 0.000 2.179 117 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 117 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 117 G C 0.541 175.319 174.900 -0.204 0.000 1.010 117 G CA 0.522 45.441 45.100 -0.302 0.000 0.736 117 G HN 0.562 nan 8.290 nan 0.000 0.513 118 M N -1.308 118.232 119.600 -0.100 0.000 2.333 118 M HA 0.410 4.889 4.480 -0.000 0.000 0.257 118 M C -0.072 176.122 176.300 -0.176 0.000 1.078 118 M CA 0.418 55.596 55.300 -0.204 0.000 1.005 118 M CB 0.408 32.766 32.600 -0.404 0.000 1.444 118 M HN 0.162 nan 8.290 nan 0.000 0.496 119 F N 0.176 120.125 119.950 -0.003 0.000 2.561 119 F HA 0.404 4.931 4.527 -0.000 0.000 0.321 119 F C 0.456 176.310 175.800 0.091 0.000 1.065 119 F CA -1.024 57.046 58.000 0.117 0.000 0.934 119 F CB 1.214 40.325 39.000 0.185 0.000 1.215 119 F HN -0.122 nan 8.300 nan 0.000 0.471 120 E N 0.385 120.810 120.200 0.375 0.000 2.250 120 E HA 0.468 4.817 4.350 -0.000 0.000 0.265 120 E C -0.828 176.061 176.600 0.481 0.000 1.033 120 E CA -1.139 55.481 56.400 0.367 0.000 0.888 120 E CB 1.548 31.383 29.700 0.225 0.000 1.151 120 E HN 0.366 nan 8.360 nan 0.000 0.412 121 R N 1.953 122.687 120.500 0.389 0.000 2.255 121 R HA 0.229 4.569 4.340 -0.000 0.000 0.326 121 R C -0.308 176.072 176.300 0.135 0.000 0.986 121 R CA -0.367 55.840 56.100 0.178 0.000 0.847 121 R CB 0.444 30.727 30.300 -0.028 0.000 1.111 121 R HN 0.488 nan 8.270 nan 0.000 0.452 122 M N 2.880 122.555 119.600 0.124 0.000 2.200 122 M HA 0.259 4.739 4.480 -0.000 0.000 0.355 122 M C 0.125 176.471 176.300 0.077 0.000 1.283 122 M CA -0.335 55.031 55.300 0.109 0.000 1.124 122 M CB 1.370 34.045 32.600 0.124 0.000 1.625 122 M HN 0.591 nan 8.290 nan 0.000 0.463 123 S N 3.123 118.861 115.700 0.064 0.000 2.589 123 S HA 0.098 4.568 4.470 -0.000 0.000 0.265 123 S C 0.798 175.419 174.600 0.034 0.000 1.342 123 S CA -0.736 57.489 58.200 0.042 0.000 1.005 123 S CB 0.905 64.127 63.200 0.037 0.000 0.909 123 S HN 0.870 nan 8.310 nan 0.000 0.555 124 L N 1.211 122.444 121.223 0.018 0.000 2.042 124 L HA -0.106 4.233 4.340 -0.000 0.000 0.210 124 L C 2.787 179.652 176.870 -0.008 0.000 1.076 124 L CA 2.092 56.933 54.840 0.002 0.000 0.749 124 L CB -1.344 40.711 42.059 -0.007 0.000 0.893 124 L HN 0.965 nan 8.230 nan 0.000 0.432 125 Q N -0.635 119.162 119.800 -0.005 0.000 2.014 125 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 125 Q C 2.004 178.003 176.000 -0.002 0.000 0.993 125 Q CA 2.970 58.766 55.803 -0.012 0.000 0.850 125 Q CB -0.479 28.255 28.738 -0.006 0.000 0.916 125 Q HN 0.633 nan 8.270 nan 0.000 0.417 126 T N 1.578 116.146 114.554 0.024 0.000 2.635 126 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 126 T C 1.483 176.217 174.700 0.057 0.000 1.040 126 T CA 1.532 63.664 62.100 0.052 0.000 1.156 126 T CB -0.542 68.370 68.868 0.074 0.000 0.863 126 T HN 0.352 nan 8.240 nan 0.000 0.430 127 D N 0.958 121.383 120.400 0.041 0.000 2.104 127 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 127 D C 2.189 178.475 176.300 -0.023 0.000 0.994 127 D CA 1.239 55.252 54.000 0.022 0.000 0.830 127 D CB -0.123 40.682 40.800 0.009 0.000 0.959 127 D HN 0.529 nan 8.370 nan 0.000 0.452 128 E N -0.353 119.823 120.200 -0.039 0.000 2.216 128 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 128 E C 1.430 178.035 176.600 0.009 0.000 0.988 128 E CA 0.525 56.893 56.400 -0.054 0.000 0.834 128 E CB 0.082 29.730 29.700 -0.086 0.000 0.772 128 E HN 0.248 nan 8.360 nan 0.000 0.479 129 D N 1.026 121.439 120.400 0.021 0.000 2.183 129 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 129 D C 0.560 176.996 176.300 0.225 0.000 0.969 129 D CA 0.645 54.654 54.000 0.016 0.000 0.842 129 D CB 0.219 40.974 40.800 -0.076 0.000 0.957 129 D HN -0.081 nan 8.370 nan 0.000 0.484 130 E N -0.695 119.635 120.200 0.217 0.000 2.313 130 E HA 0.039 4.389 4.350 -0.000 0.000 0.276 130 E C 0.703 177.251 176.600 -0.085 0.000 1.031 130 E CA 0.071 56.571 56.400 0.166 0.000 0.857 130 E CB 0.474 30.229 29.700 0.091 0.000 1.040 130 E HN 0.357 nan 8.360 nan 0.000 0.408 131 H N 1.625 120.356 119.070 -0.564 0.000 2.874 131 H HA 0.125 4.681 4.556 -0.000 0.000 0.264 131 H C 1.152 176.118 175.328 -0.603 0.000 1.007 131 H CA 0.800 56.283 56.048 -0.942 0.000 1.207 131 H CB -0.172 28.524 29.762 -1.777 0.000 1.487 131 H HN 0.410 nan 8.280 nan 0.000 0.505 132 S N 1.017 116.066 115.700 -1.086 0.000 2.442 132 S HA -0.026 4.444 4.470 -0.000 0.000 0.236 132 S C 1.856 176.341 174.600 -0.192 0.000 1.007 132 S CA 0.852 58.549 58.200 -0.839 0.000 0.965 132 S CB -0.503 62.305 63.200 -0.653 0.000 0.773 132 S HN 0.400 nan 8.310 nan 0.000 0.504 133 I N 1.047 121.561 120.570 -0.094 0.000 2.556 133 I HA 0.070 4.240 4.170 -0.000 0.000 0.251 133 I C 2.750 178.958 176.117 0.151 0.000 1.105 133 I CA 0.928 62.294 61.300 0.111 0.000 1.436 133 I CB -0.351 37.732 38.000 0.139 0.000 1.139 133 I HN 0.341 nan 8.210 nan 0.000 0.438 134 E N 1.330 121.547 120.200 0.028 0.000 2.130 134 E HA -0.253 4.096 4.350 -0.000 0.000 0.196 134 E C 2.235 178.837 176.600 0.004 0.000 0.998 134 E CA 1.367 57.790 56.400 0.038 0.000 0.806 134 E CB 0.092 29.793 29.700 0.002 0.000 0.738 134 E HN 0.257 nan 8.360 nan 0.000 0.459 135 M N 0.214 119.776 119.600 -0.064 0.000 2.446 135 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 135 M C 1.082 177.314 176.300 -0.114 0.000 1.066 135 M CA 1.236 56.436 55.300 -0.168 0.000 1.087 135 M CB -0.499 32.014 32.600 -0.145 0.000 1.406 135 M HN 0.244 nan 8.290 nan 0.000 0.459 136 H N -1.171 117.976 119.070 0.129 0.000 2.529 136 H HA 0.233 4.789 4.556 -0.000 0.000 0.277 136 H C 1.810 177.207 175.328 0.114 0.000 1.004 136 H CA 0.204 56.378 56.048 0.209 0.000 1.167 136 H CB 0.806 30.720 29.762 0.252 0.000 1.445 136 H HN 0.343 nan 8.280 nan 0.000 0.554 137 L N 0.230 121.517 121.223 0.107 0.000 2.269 137 L HA 0.063 4.403 4.340 -0.000 0.000 0.200 137 L C -0.562 176.277 176.870 -0.052 0.000 1.069 137 L CA 0.199 55.073 54.840 0.056 0.000 0.804 137 L CB -0.998 41.101 42.059 0.065 0.000 0.987 137 L HN 0.075 nan 8.230 nan 0.000 0.468 138 P HA -0.244 nan 4.420 nan 0.000 0.216 138 P C 1.260 178.458 177.300 -0.169 0.000 1.154 138 P CA 1.830 64.831 63.100 -0.166 0.000 0.865 138 P CB -0.023 31.557 31.700 -0.200 0.000 0.789 139 Y N -1.038 119.105 120.300 -0.261 0.000 2.490 139 Y HA -0.082 4.468 4.550 -0.000 0.000 0.285 139 Y C 2.111 177.639 175.900 -0.620 0.000 1.117 139 Y CA 1.183 58.926 58.100 -0.595 0.000 1.262 139 Y CB -0.081 37.724 38.460 -1.091 0.000 1.043 139 Y HN 0.046 nan 8.280 nan 0.000 0.553 140 T N -3.023 111.454 114.554 -0.128 0.000 3.035 140 T HA 0.095 4.445 4.350 -0.000 0.000 0.259 140 T C 1.984 176.647 174.700 -0.061 0.000 1.078 140 T CA 0.604 62.700 62.100 -0.005 0.000 1.132 140 T CB -0.224 68.710 68.868 0.110 0.000 0.900 140 T HN 0.234 nan 8.240 nan 0.000 0.480 141 A N 2.081 124.872 122.820 -0.048 0.000 1.929 141 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 141 A C 2.308 179.953 177.584 0.102 0.000 1.176 141 A CA 1.724 53.729 52.037 -0.054 0.000 0.628 141 A CB -0.538 18.186 19.000 -0.460 0.000 0.816 141 A HN 0.394 nan 8.150 nan 0.000 0.444 142 K N 0.475 120.879 120.400 0.008 0.000 2.002 142 K HA 0.031 4.351 4.320 -0.000 0.000 0.209 142 K C 1.983 178.623 176.600 0.067 0.000 1.048 142 K CA 1.777 58.088 56.287 0.040 0.000 0.930 142 K CB -0.727 31.733 32.500 -0.067 0.000 0.714 142 K HN 0.283 nan 8.250 nan 0.000 0.438 143 A N 0.168 123.019 122.820 0.052 0.000 2.024 143 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 143 A C 1.794 179.394 177.584 0.026 0.000 1.164 143 A CA 1.736 53.817 52.037 0.072 0.000 0.643 143 A CB -0.386 18.699 19.000 0.141 0.000 0.806 143 A HN 0.352 nan 8.150 nan 0.000 0.451 144 M N -0.161 119.422 119.600 -0.027 0.000 2.371 144 M HA 0.038 4.518 4.480 -0.000 0.000 0.246 144 M C 1.667 178.052 176.300 0.141 0.000 1.103 144 M CA 0.747 56.001 55.300 -0.076 0.000 1.010 144 M CB -0.617 31.579 32.600 -0.673 0.000 1.457 144 M HN 0.790 nan 8.290 nan 0.000 0.486 145 E N 1.152 121.459 120.200 0.178 0.000 2.086 145 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 145 E C 1.627 178.245 176.600 0.029 0.000 1.012 145 E CA 2.367 58.851 56.400 0.140 0.000 0.812 145 E CB -0.576 29.200 29.700 0.127 0.000 0.743 145 E HN 0.473 nan 8.360 nan 0.000 0.453 146 S N 0.583 116.294 115.700 0.019 0.000 2.402 146 S HA -0.215 4.254 4.470 -0.000 0.000 0.233 146 S C 1.023 175.464 174.600 -0.265 0.000 1.030 146 S CA 1.675 59.811 58.200 -0.107 0.000 1.003 146 S CB -0.555 62.590 63.200 -0.092 0.000 0.813 146 S HN 0.509 nan 8.310 nan 0.000 0.477 147 H N 1.423 120.528 119.070 0.059 0.000 2.490 147 H HA 0.349 4.905 4.556 -0.000 0.000 0.285 147 H C 1.370 176.814 175.328 0.193 0.000 1.127 147 H CA -0.126 55.980 56.048 0.097 0.000 0.993 147 H CB 0.239 30.060 29.762 0.099 0.000 1.653 147 H HN 0.628 nan 8.280 nan 0.000 0.557 148 K N -0.214 120.283 120.400 0.161 0.000 2.293 148 K HA -0.177 4.142 4.320 -0.000 0.000 0.204 148 K C 0.176 176.806 176.600 0.050 0.000 1.045 148 K CA 1.980 58.336 56.287 0.115 0.000 0.933 148 K CB 0.188 32.449 32.500 -0.399 0.000 0.736 148 K HN 0.226 nan 8.250 nan 0.000 0.463 149 D N 0.527 120.945 120.400 0.031 0.000 2.369 149 D HA 0.012 4.651 4.640 -0.000 0.000 0.211 149 D C 0.483 176.788 176.300 0.008 0.000 1.077 149 D CA 0.361 54.346 54.000 -0.025 0.000 0.842 149 D CB 0.573 41.349 40.800 -0.040 0.000 0.947 149 D HN 0.464 nan 8.370 nan 0.000 0.509 150 E N -0.114 120.162 120.200 0.126 0.000 2.538 150 E HA 0.122 4.472 4.350 -0.000 0.000 0.207 150 E C -0.213 176.497 176.600 0.183 0.000 1.002 150 E CA -0.289 56.195 56.400 0.141 0.000 0.952 150 E CB 0.528 30.349 29.700 0.202 0.000 1.031 150 E HN 0.188 nan 8.360 nan 0.000 0.476 151 F N -0.369 119.604 119.950 0.039 0.000 2.576 151 F HA 0.622 5.149 4.527 -0.000 0.000 0.313 151 F C -0.319 175.468 175.800 -0.023 0.000 1.078 151 F CA -0.945 57.063 58.000 0.014 0.000 0.921 151 F CB 1.237 40.260 39.000 0.038 0.000 1.232 151 F HN -0.271 nan 8.300 nan 0.000 0.459 152 T N 1.726 116.263 114.554 -0.027 0.000 2.938 152 T HA 0.817 5.167 4.350 -0.000 0.000 0.285 152 T C -0.400 174.242 174.700 -0.097 0.000 1.028 152 T CA -0.743 61.244 62.100 -0.187 0.000 1.005 152 T CB 2.058 70.806 68.868 -0.201 0.000 1.157 152 T HN 0.948 nan 8.240 nan 0.000 0.550 153 I N -1.805 118.607 120.570 -0.263 0.000 2.785 153 I HA 0.678 4.848 4.170 -0.000 0.000 0.302 153 I C -1.268 174.523 176.117 -0.544 0.000 1.069 153 I CA -1.548 59.564 61.300 -0.313 0.000 1.045 153 I CB 2.088 39.949 38.000 -0.232 0.000 1.236 153 I HN 0.458 nan 8.210 nan 0.000 0.429 154 I N 3.672 123.884 120.570 -0.597 0.000 2.595 154 I HA 0.415 4.585 4.170 -0.000 0.000 0.275 154 I C -2.620 173.317 176.117 -0.301 0.000 1.092 154 I CA -1.871 59.062 61.300 -0.611 0.000 1.145 154 I CB 0.350 37.679 38.000 -1.119 0.000 1.276 154 I HN 0.345 nan 8.210 nan 0.000 0.497 155 P HA 0.253 nan 4.420 nan 0.000 0.276 155 P C -0.367 177.029 177.300 0.161 0.000 1.243 155 P CA -0.058 63.004 63.100 -0.064 0.000 0.768 155 P CB 1.287 32.881 31.700 -0.176 0.000 0.856 156 V N 5.012 125.009 119.914 0.139 0.000 2.577 156 V HA 0.272 4.392 4.120 -0.000 0.000 0.303 156 V C -0.263 175.915 176.094 0.141 0.000 1.042 156 V CA -0.742 61.678 62.300 0.201 0.000 0.872 156 V CB 1.974 33.957 31.823 0.266 0.000 0.998 156 V HN 0.343 nan 8.190 nan 0.000 0.423 157 L N 6.378 127.696 121.223 0.158 0.000 2.264 157 L HA 0.591 4.931 4.340 -0.000 0.000 0.289 157 L C -0.288 176.620 176.870 0.064 0.000 1.044 157 L CA 0.253 55.157 54.840 0.106 0.000 0.807 157 L CB 1.451 43.584 42.059 0.123 0.000 1.192 157 L HN 0.480 nan 8.230 nan 0.000 0.425 158 V N 5.819 125.747 119.914 0.023 0.000 2.407 158 V HA 0.672 4.792 4.120 -0.000 0.000 0.278 158 V C 0.868 176.962 176.094 0.000 0.000 1.037 158 V CA -0.097 62.185 62.300 -0.030 0.000 0.900 158 V CB 0.809 32.621 31.823 -0.019 0.000 0.983 158 V HN 0.913 nan 8.190 nan 0.000 0.459 159 G N 2.813 111.590 108.800 -0.038 0.000 2.574 159 G HA2 0.538 4.498 3.960 -0.000 0.000 0.248 159 G HA3 0.538 4.498 3.960 -0.000 0.000 0.248 159 G C 0.234 175.078 174.900 -0.093 0.000 1.422 159 G CA -0.163 44.924 45.100 -0.022 0.000 1.051 159 G HN 1.002 nan 8.290 nan 0.000 0.560 160 A N 0.167 122.917 122.820 -0.117 0.000 3.037 160 A HA 0.477 4.797 4.320 -0.000 0.000 0.272 160 A C 0.489 177.816 177.584 -0.429 0.000 1.723 160 A CA -0.261 51.613 52.037 -0.272 0.000 1.413 160 A CB -1.092 17.882 19.000 -0.044 0.000 1.112 160 A HN 0.402 nan 8.150 nan 0.000 0.606 161 L N 1.984 122.793 121.223 -0.690 0.000 2.453 161 L HA 0.130 4.469 4.340 -0.000 0.000 0.272 161 L C 1.271 177.991 176.870 -0.249 0.000 1.182 161 L CA -0.243 54.399 54.840 -0.330 0.000 0.858 161 L CB 0.717 42.676 42.059 -0.167 0.000 1.120 161 L HN 0.753 nan 8.230 nan 0.000 0.474 162 S N 1.364 117.017 115.700 -0.079 0.000 2.600 162 S HA 0.075 4.545 4.470 -0.000 0.000 0.265 162 S C 0.898 175.514 174.600 0.026 0.000 1.325 162 S CA -0.655 57.536 58.200 -0.015 0.000 1.002 162 S CB 1.220 64.416 63.200 -0.007 0.000 0.921 162 S HN 0.690 nan 8.310 nan 0.000 0.554 163 E N 1.049 121.277 120.200 0.048 0.000 2.114 163 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 163 E C 2.151 178.778 176.600 0.046 0.000 1.008 163 E CA 1.854 58.292 56.400 0.062 0.000 0.810 163 E CB -0.312 29.419 29.700 0.051 0.000 0.739 163 E HN 0.803 nan 8.360 nan 0.000 0.456 164 S N 0.766 116.478 115.700 0.020 0.000 2.383 164 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 164 S C 1.673 176.269 174.600 -0.008 0.000 1.026 164 S CA 0.741 58.940 58.200 -0.002 0.000 0.981 164 S CB -0.030 63.156 63.200 -0.023 0.000 0.818 164 S HN 0.143 nan 8.310 nan 0.000 0.472 165 K N 1.405 121.812 120.400 0.012 0.000 2.228 165 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 165 K C 1.909 178.617 176.600 0.180 0.000 1.051 165 K CA 0.720 57.035 56.287 0.046 0.000 0.960 165 K CB -0.211 32.349 32.500 0.101 0.000 0.743 165 K HN 0.494 nan 8.250 nan 0.000 0.458 166 E N 1.154 121.442 120.200 0.146 0.000 2.077 166 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 166 E C 2.163 178.847 176.600 0.139 0.000 0.989 166 E CA 1.125 57.629 56.400 0.173 0.000 0.800 166 E CB 0.050 29.841 29.700 0.152 0.000 0.746 166 E HN 0.294 nan 8.360 nan 0.000 0.452 167 Q N 0.484 120.330 119.800 0.077 0.000 2.050 167 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 167 Q C 2.028 178.037 176.000 0.015 0.000 0.980 167 Q CA 1.393 57.220 55.803 0.039 0.000 0.840 167 Q CB 0.060 28.805 28.738 0.012 0.000 0.898 167 Q HN 0.270 nan 8.270 nan 0.000 0.424 168 E N -0.274 119.901 120.200 -0.040 0.000 2.031 168 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 168 E C 1.728 178.240 176.600 -0.146 0.000 0.994 168 E CA 1.029 57.338 56.400 -0.152 0.000 0.800 168 E CB -0.090 29.433 29.700 -0.294 0.000 0.752 168 E HN 0.242 nan 8.360 nan 0.000 0.447 169 F N 0.612 120.561 119.950 -0.002 0.000 2.171 169 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 169 F C 2.381 178.296 175.800 0.191 0.000 1.090 169 F CA 1.286 59.325 58.000 0.066 0.000 1.293 169 F CB -0.954 38.137 39.000 0.152 0.000 1.013 169 F HN 0.068 nan 8.300 nan 0.000 0.486 170 G N -0.423 108.564 108.800 0.313 0.000 2.459 170 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 170 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 170 G C 1.791 176.764 174.900 0.122 0.000 1.183 170 G CA 1.027 46.247 45.100 0.199 0.000 0.776 170 G HN 0.255 nan 8.290 nan 0.000 0.552 171 K N -0.439 119.994 120.400 0.055 0.000 2.032 171 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 171 K C 2.487 179.085 176.600 -0.004 0.000 1.048 171 K CA 1.415 57.703 56.287 0.001 0.000 0.927 171 K CB -0.310 32.170 32.500 -0.032 0.000 0.712 171 K HN 0.277 nan 8.250 nan 0.000 0.441 172 L N 0.102 121.321 121.223 -0.007 0.000 1.989 172 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 172 L C 1.857 178.731 176.870 0.006 0.000 1.071 172 L CA 1.765 56.575 54.840 -0.050 0.000 0.749 172 L CB -0.437 41.551 42.059 -0.118 0.000 0.890 172 L HN 0.093 nan 8.230 nan 0.000 0.431 173 F N -0.080 119.993 119.950 0.205 0.000 2.604 173 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 173 F C 2.702 178.501 175.800 -0.002 0.000 1.131 173 F CA 0.930 59.077 58.000 0.244 0.000 1.457 173 F CB -0.876 38.262 39.000 0.231 0.000 1.095 173 F HN 0.354 nan 8.300 nan 0.000 0.574 174 S N 0.092 115.833 115.700 0.070 0.000 2.402 174 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 174 S C 1.871 176.425 174.600 -0.076 0.000 1.021 174 S CA 0.865 59.033 58.200 -0.052 0.000 0.974 174 S CB -0.428 62.742 63.200 -0.049 0.000 0.800 174 S HN 0.392 nan 8.310 nan 0.000 0.484 175 K N 0.591 120.914 120.400 -0.129 0.000 2.103 175 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 175 K C 1.787 178.261 176.600 -0.209 0.000 1.048 175 K CA 1.770 57.925 56.287 -0.220 0.000 0.930 175 K CB -0.543 31.737 32.500 -0.366 0.000 0.716 175 K HN 0.542 nan 8.250 nan 0.000 0.444 176 Y N 0.385 120.751 120.300 0.110 0.000 2.286 176 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 176 Y C 2.124 178.109 175.900 0.141 0.000 1.124 176 Y CA 0.081 58.280 58.100 0.165 0.000 1.178 176 Y CB -0.105 38.463 38.460 0.181 0.000 1.010 176 Y HN -0.046 nan 8.280 nan 0.000 0.536 177 L N 0.373 121.643 121.223 0.078 0.000 2.191 177 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 177 L C 2.171 179.044 176.870 0.006 0.000 1.103 177 L CA 1.669 56.443 54.840 -0.110 0.000 0.769 177 L CB -0.761 41.054 42.059 -0.408 0.000 0.908 177 L HN 0.152 nan 8.230 nan 0.000 0.438 178 A N -1.891 120.940 122.820 0.017 0.000 2.169 178 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 178 A C 0.982 178.603 177.584 0.061 0.000 1.153 178 A CA 0.193 52.243 52.037 0.021 0.000 0.756 178 A CB -0.548 18.449 19.000 -0.005 0.000 0.813 178 A HN 0.423 nan 8.150 nan 0.000 0.471 179 D N 0.275 120.742 120.400 0.113 0.000 2.312 179 D HA 0.194 4.834 4.640 -0.000 0.000 0.252 179 D C -1.805 174.572 176.300 0.127 0.000 1.150 179 D CA -1.698 52.381 54.000 0.132 0.000 0.870 179 D CB 1.537 42.456 40.800 0.198 0.000 1.153 179 D HN 0.067 nan 8.370 nan 0.000 0.457 180 P HA 0.002 nan 4.420 nan 0.000 0.237 180 P C 0.789 178.138 177.300 0.081 0.000 1.178 180 P CA 0.243 63.388 63.100 0.076 0.000 0.766 180 P CB 0.353 32.083 31.700 0.050 0.000 0.876 181 S N -0.859 114.903 115.700 0.103 0.000 2.607 181 S HA 0.041 4.510 4.470 -0.000 0.000 0.224 181 S C 0.860 175.547 174.600 0.146 0.000 0.969 181 S CA 0.228 58.491 58.200 0.104 0.000 0.927 181 S CB -0.532 62.734 63.200 0.109 0.000 0.772 181 S HN 0.242 nan 8.310 nan 0.000 0.533 182 N N 0.946 119.761 118.700 0.192 0.000 2.459 182 N HA 0.685 5.425 4.740 -0.000 0.000 0.288 182 N C -1.081 174.568 175.510 0.232 0.000 1.186 182 N CA -0.611 52.601 53.050 0.270 0.000 0.917 182 N CB 1.416 40.142 38.487 0.398 0.000 1.219 182 N HN 0.067 nan 8.380 nan 0.000 0.525 183 L N 0.618 121.991 121.223 0.250 0.000 2.562 183 L HA 0.505 4.845 4.340 -0.000 0.000 0.266 183 L C -1.942 175.023 176.870 0.159 0.000 0.949 183 L CA -0.348 54.610 54.840 0.197 0.000 0.879 183 L CB 0.913 43.024 42.059 0.087 0.000 1.278 183 L HN 0.434 nan 8.230 nan 0.000 0.404 184 F N 4.945 124.903 119.950 0.014 0.000 2.385 184 F HA 0.535 5.062 4.527 -0.000 0.000 0.360 184 F C 0.192 175.958 175.800 -0.057 0.000 1.122 184 F CA -0.810 57.177 58.000 -0.022 0.000 1.090 184 F CB 1.774 40.703 39.000 -0.118 0.000 1.150 184 F HN 0.150 nan 8.300 nan 0.000 0.472 185 V N 5.644 125.566 119.914 0.013 0.000 2.368 185 V HA 0.201 4.321 4.120 -0.000 0.000 0.266 185 V C -0.107 175.919 176.094 -0.112 0.000 1.045 185 V CA -0.606 61.637 62.300 -0.095 0.000 0.899 185 V CB 1.050 32.782 31.823 -0.151 0.000 1.006 185 V HN 0.407 nan 8.190 nan 0.000 0.470 186 V N 4.678 124.553 119.914 -0.065 0.000 2.383 186 V HA 0.310 4.429 4.120 -0.000 0.000 0.275 186 V C 0.503 176.578 176.094 -0.032 0.000 1.036 186 V CA -0.018 62.258 62.300 -0.040 0.000 0.889 186 V CB 1.697 33.519 31.823 -0.003 0.000 0.985 186 V HN 0.833 nan 8.190 nan 0.000 0.459 187 S N 4.151 119.843 115.700 -0.015 0.000 2.422 187 S HA 0.649 5.118 4.470 -0.000 0.000 0.308 187 S C -0.339 174.437 174.600 0.294 0.000 1.097 187 S CA -0.212 58.095 58.200 0.178 0.000 1.099 187 S CB 0.680 63.999 63.200 0.199 0.000 0.976 187 S HN 0.878 nan 8.310 nan 0.000 0.471 188 S N 3.980 119.861 115.700 0.302 0.000 2.563 188 S HA 0.358 4.828 4.470 -0.000 0.000 0.279 188 S C -1.728 172.901 174.600 0.049 0.000 1.155 188 S CA -0.777 57.507 58.200 0.140 0.000 0.928 188 S CB 0.969 64.140 63.200 -0.048 0.000 1.107 188 S HN 0.710 nan 8.310 nan 0.000 0.462 189 D N 2.149 122.498 120.400 -0.086 0.000 2.354 189 D HA 0.511 5.151 4.640 -0.000 0.000 0.247 189 D C 0.235 176.502 176.300 -0.055 0.000 1.138 189 D CA -0.064 53.951 54.000 0.026 0.000 0.958 189 D CB 0.406 41.204 40.800 -0.004 0.000 1.144 189 D HN 0.353 nan 8.370 nan 0.000 0.458 190 F N -0.364 119.578 119.950 -0.013 0.000 2.773 190 F HA 0.196 4.723 4.527 -0.000 0.000 0.189 190 F C 0.960 176.719 175.800 -0.069 0.000 1.212 190 F CA -0.624 57.377 58.000 0.002 0.000 0.950 190 F CB -0.077 38.949 39.000 0.042 0.000 2.157 190 F HN 0.192 nan 8.300 nan 0.000 0.590 191 C N 2.558 121.971 119.300 0.188 0.000 2.633 191 C HA 0.071 4.531 4.460 -0.000 0.000 0.415 191 C C -0.007 174.913 174.990 -0.117 0.000 1.393 191 C CA -0.236 58.836 59.018 0.089 0.000 1.700 191 C CB -1.812 26.060 27.740 0.219 0.000 2.541 191 C HN 0.394 nan 8.230 nan 0.000 0.603 192 H N 4.877 123.807 119.070 -0.233 0.000 2.724 192 H HA 0.180 4.736 4.556 -0.000 0.000 0.278 192 H C -0.570 174.620 175.328 -0.229 0.000 1.159 192 H CA -0.031 55.654 56.048 -0.606 0.000 1.254 192 H CB 0.420 29.511 29.762 -1.118 0.000 1.412 192 H HN 0.823 nan 8.280 nan 0.000 0.488 193 W N 3.108 124.438 121.300 0.050 0.000 2.433 193 W HA 0.452 5.112 4.660 -0.000 0.000 0.315 193 W C 0.014 176.849 176.519 0.527 0.000 1.087 193 W CA 0.460 58.017 57.345 0.353 0.000 1.205 193 W CB 1.454 31.063 29.460 0.248 0.000 1.288 193 W HN 0.821 nan 8.180 nan 0.000 0.504 194 G N 3.253 111.953 108.800 -0.168 0.000 2.334 194 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.566 194 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.566 194 G C 0.124 174.939 174.900 -0.142 0.000 1.413 194 G CA -0.684 44.296 45.100 -0.199 0.000 0.993 194 G HN 0.424 nan 8.290 nan 0.000 0.642 195 Q N -0.085 119.621 119.800 -0.156 0.000 2.062 195 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 195 Q C 2.740 178.670 176.000 -0.116 0.000 0.996 195 Q CA 2.501 58.243 55.803 -0.102 0.000 0.859 195 Q CB -0.184 28.515 28.738 -0.065 0.000 0.920 195 Q HN 0.766 nan 8.270 nan 0.000 0.415 196 R N -0.490 119.877 120.500 -0.222 0.000 2.249 196 R HA -0.103 4.236 4.340 -0.000 0.000 0.230 196 R C 1.466 177.510 176.300 -0.426 0.000 1.121 196 R CA 1.616 57.498 56.100 -0.364 0.000 0.997 196 R CB -0.555 29.429 30.300 -0.527 0.000 0.867 196 R HN 0.205 nan 8.270 nan 0.000 0.465 197 F N -0.045 119.923 119.950 0.030 0.000 2.678 197 F HA 0.397 4.924 4.527 -0.000 0.000 0.305 197 F C 0.371 176.199 175.800 0.046 0.000 1.090 197 F CA -0.781 57.249 58.000 0.051 0.000 1.272 197 F CB 0.351 39.414 39.000 0.104 0.000 1.060 197 F HN -0.193 nan 8.300 nan 0.000 0.576 198 R N -0.105 120.476 120.500 0.135 0.000 3.641 198 R HA -0.270 4.070 4.340 -0.000 0.000 0.286 198 R C -1.149 175.242 176.300 0.151 0.000 1.153 198 R CA 0.478 56.630 56.100 0.086 0.000 0.775 198 R CB -2.226 28.112 30.300 0.065 0.000 1.215 198 R HN 0.449 nan 8.270 nan 0.000 0.474 199 Y N -0.194 120.099 120.300 -0.012 0.000 2.333 199 Y HA 0.290 4.840 4.550 -0.000 0.000 0.324 199 Y C -0.436 175.284 175.900 -0.299 0.000 1.033 199 Y CA -0.458 57.619 58.100 -0.039 0.000 1.224 199 Y CB 1.410 39.900 38.460 0.050 0.000 1.120 199 Y HN 0.096 nan 8.280 nan 0.000 0.457 200 S N 4.277 119.661 115.700 -0.527 0.000 2.617 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.237 200 S C -0.825 173.819 174.600 0.074 0.000 1.142 200 S CA -0.499 57.361 58.200 -0.567 0.000 1.167 200 S CB -0.595 62.307 63.200 -0.497 0.000 1.068 200 S HN 0.604 nan 8.310 nan 0.000 0.470 201 Y N 2.440 122.586 120.300 -0.257 0.000 2.717 201 Y HA 0.289 4.839 4.550 -0.000 0.000 0.330 201 Y C -0.591 175.632 175.900 0.537 0.000 1.217 201 Y CA 0.029 58.169 58.100 0.065 0.000 1.506 201 Y CB 0.155 38.557 38.460 -0.097 0.000 1.268 201 Y HN 0.513 nan 8.280 nan 0.000 0.561 202 Y N 6.979 127.036 120.300 -0.406 0.000 2.317 202 Y HA 0.248 4.798 4.550 -0.000 0.000 0.325 202 Y C -1.390 174.234 175.900 -0.459 0.000 1.066 202 Y CA -1.714 56.222 58.100 -0.272 0.000 1.203 202 Y CB 0.502 39.032 38.460 0.118 0.000 1.127 202 Y HN 0.697 nan 8.280 nan 0.000 0.451 203 D N 4.803 124.659 120.400 -0.907 0.000 2.352 203 D HA 0.040 4.680 4.640 -0.000 0.000 0.245 203 D C 0.869 176.617 176.300 -0.920 0.000 1.224 203 D CA 0.369 53.952 54.000 -0.695 0.000 0.879 203 D CB 0.973 41.615 40.800 -0.263 0.000 1.057 203 D HN 0.905 nan 8.370 nan 0.000 0.491 204 E N 2.082 121.754 120.200 -0.880 0.000 2.208 204 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 204 E C 1.448 177.846 176.600 -0.337 0.000 0.988 204 E CA 0.645 56.614 56.400 -0.719 0.000 0.828 204 E CB 0.247 29.768 29.700 -0.298 0.000 0.763 204 E HN 0.512 nan 8.360 nan 0.000 0.478 205 S N 0.002 115.535 115.700 -0.279 0.000 2.500 205 S HA -0.116 4.354 4.470 -0.000 0.000 0.239 205 S C 1.656 176.120 174.600 -0.226 0.000 0.989 205 S CA 0.614 58.695 58.200 -0.199 0.000 0.951 205 S CB 0.058 63.156 63.200 -0.169 0.000 0.759 205 S HN 0.200 nan 8.310 nan 0.000 0.523 206 Q N 0.721 120.348 119.800 -0.289 0.000 2.392 206 Q HA 0.371 4.711 4.340 -0.000 0.000 0.203 206 Q C 1.399 177.269 176.000 -0.218 0.000 0.917 206 Q CA 0.720 56.357 55.803 -0.277 0.000 0.939 206 Q CB 0.506 29.059 28.738 -0.308 0.000 1.063 206 Q HN 0.725 nan 8.270 nan 0.000 0.516 207 G N 0.596 109.291 108.800 -0.174 0.000 2.637 207 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.211 207 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.211 207 G C -0.719 174.142 174.900 -0.065 0.000 1.213 207 G CA -0.689 44.331 45.100 -0.134 0.000 1.207 207 G HN 0.146 nan 8.290 nan 0.000 0.559 208 E N 0.311 120.391 120.200 -0.200 0.000 2.349 208 E HA 0.478 4.828 4.350 -0.000 0.000 0.262 208 E C 1.697 178.164 176.600 -0.222 0.000 1.088 208 E CA -0.316 55.956 56.400 -0.212 0.000 0.899 208 E CB 1.511 31.024 29.700 -0.312 0.000 1.044 208 E HN 0.398 nan 8.360 nan 0.000 0.420 209 I N 0.724 121.089 120.570 -0.342 0.000 2.145 209 I HA -0.398 3.772 4.170 -0.000 0.000 0.244 209 I C 2.444 178.316 176.117 -0.407 0.000 1.075 209 I CA 1.862 62.845 61.300 -0.529 0.000 1.332 209 I CB -0.563 36.822 38.000 -1.025 0.000 1.033 209 I HN 0.640 nan 8.210 nan 0.000 0.410 210 Y N 0.665 120.758 120.300 -0.345 0.000 2.333 210 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 210 Y C 2.414 178.242 175.900 -0.119 0.000 1.144 210 Y CA 0.765 58.725 58.100 -0.232 0.000 1.228 210 Y CB -0.625 37.738 38.460 -0.161 0.000 0.985 210 Y HN -0.056 nan 8.280 nan 0.000 0.542 211 R N 0.498 120.624 120.500 -0.623 0.000 2.093 211 R HA -0.070 4.270 4.340 -0.000 0.000 0.224 211 R C 2.615 178.803 176.300 -0.186 0.000 1.101 211 R CA 1.065 56.915 56.100 -0.416 0.000 0.979 211 R CB -1.005 28.990 30.300 -0.509 0.000 0.877 211 R HN 0.499 nan 8.270 nan 0.000 0.441 212 S N 1.004 116.608 115.700 -0.160 0.000 2.368 212 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 212 S C 2.068 176.683 174.600 0.025 0.000 1.030 212 S CA 0.893 59.054 58.200 -0.065 0.000 0.999 212 S CB -0.116 63.058 63.200 -0.042 0.000 0.844 212 S HN 0.211 nan 8.310 nan 0.000 0.459 213 I N 1.326 121.871 120.570 -0.042 0.000 2.163 213 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 213 I C 2.730 178.892 176.117 0.076 0.000 1.085 213 I CA 1.838 63.161 61.300 0.037 0.000 1.347 213 I CB -0.441 37.525 38.000 -0.056 0.000 1.044 213 I HN 0.486 nan 8.210 nan 0.000 0.408 214 E N 0.391 120.612 120.200 0.035 0.000 2.038 214 E HA -0.336 4.014 4.350 -0.000 0.000 0.195 214 E C 2.214 178.703 176.600 -0.184 0.000 1.000 214 E CA 1.740 58.081 56.400 -0.099 0.000 0.803 214 E CB -0.111 29.538 29.700 -0.085 0.000 0.750 214 E HN 0.514 nan 8.360 nan 0.000 0.448 215 H N 0.563 119.534 119.070 -0.165 0.000 2.319 215 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 215 H C 2.197 177.450 175.328 -0.125 0.000 1.092 215 H CA 2.000 57.957 56.048 -0.152 0.000 1.302 215 H CB -0.366 29.328 29.762 -0.114 0.000 1.373 215 H HN 0.188 nan 8.280 nan 0.000 0.497 216 L N -0.026 121.193 121.223 -0.006 0.000 2.013 216 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 216 L C 1.828 178.672 176.870 -0.045 0.000 1.073 216 L CA 2.050 56.879 54.840 -0.019 0.000 0.753 216 L CB -0.337 41.826 42.059 0.174 0.000 0.890 216 L HN 0.433 nan 8.230 nan 0.000 0.432 217 D N -0.354 120.004 120.400 -0.070 0.000 2.084 217 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 217 D C 2.157 178.203 176.300 -0.423 0.000 0.985 217 D CA 1.024 54.941 54.000 -0.138 0.000 0.826 217 D CB -0.015 40.744 40.800 -0.068 0.000 0.978 217 D HN 0.209 nan 8.370 nan 0.000 0.456 218 K N 0.192 120.273 120.400 -0.532 0.000 2.362 218 K HA -0.020 4.300 4.320 -0.000 0.000 0.200 218 K C 2.093 178.416 176.600 -0.462 0.000 1.046 218 K CA 0.246 56.197 56.287 -0.559 0.000 0.952 218 K CB -0.074 32.115 32.500 -0.518 0.000 0.753 218 K HN 0.284 nan 8.250 nan 0.000 0.466 219 M N -0.345 118.979 119.600 -0.460 0.000 2.077 219 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 219 M C 2.276 178.282 176.300 -0.490 0.000 1.070 219 M CA 1.818 56.867 55.300 -0.418 0.000 1.125 219 M CB -0.617 31.768 32.600 -0.357 0.000 1.339 219 M HN 0.219 nan 8.290 nan 0.000 0.409 220 G N -0.093 108.304 108.800 -0.671 0.000 2.408 220 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 220 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 220 G C 1.458 176.145 174.900 -0.356 0.000 1.150 220 G CA 0.501 45.035 45.100 -0.944 0.000 0.776 220 G HN 0.361 nan 8.290 nan 0.000 0.542 221 M N 0.750 120.078 119.600 -0.453 0.000 2.175 221 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 221 M C 2.791 178.970 176.300 -0.202 0.000 1.063 221 M CA 1.363 56.320 55.300 -0.571 0.000 1.119 221 M CB -0.147 31.782 32.600 -1.118 0.000 1.377 221 M HN 0.328 nan 8.290 nan 0.000 0.415 222 S N 0.816 116.385 115.700 -0.217 0.000 2.406 222 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 222 S C 1.727 176.292 174.600 -0.058 0.000 1.020 222 S CA 0.874 59.012 58.200 -0.104 0.000 0.965 222 S CB -0.239 62.877 63.200 -0.141 0.000 0.798 222 S HN 0.382 nan 8.310 nan 0.000 0.488 223 I N 1.166 121.678 120.570 -0.098 0.000 2.252 223 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 223 I C 2.142 178.248 176.117 -0.018 0.000 1.102 223 I CA 1.134 62.411 61.300 -0.038 0.000 1.385 223 I CB -0.353 37.626 38.000 -0.035 0.000 1.064 223 I HN 0.306 nan 8.210 nan 0.000 0.414 224 I N 0.635 121.183 120.570 -0.037 0.000 2.208 224 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 224 I C 2.335 178.363 176.117 -0.148 0.000 1.097 224 I CA 1.599 62.794 61.300 -0.175 0.000 1.363 224 I CB -0.468 37.416 38.000 -0.194 0.000 1.051 224 I HN 0.241 nan 8.210 nan 0.000 0.413 225 E N 0.310 120.531 120.200 0.035 0.000 2.267 225 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 225 E C 1.880 178.512 176.600 0.054 0.000 0.998 225 E CA 0.711 57.184 56.400 0.121 0.000 0.830 225 E CB 0.023 29.832 29.700 0.183 0.000 0.751 225 E HN 0.490 nan 8.360 nan 0.000 0.491 226 Q N -0.175 119.631 119.800 0.011 0.000 2.444 226 Q HA 0.024 4.363 4.340 -0.000 0.000 0.206 226 Q C 0.684 176.677 176.000 -0.011 0.000 0.948 226 Q CA 0.248 56.054 55.803 0.004 0.000 0.946 226 Q CB 0.110 28.850 28.738 0.002 0.000 1.027 226 Q HN 0.354 nan 8.270 nan 0.000 0.513 227 L N 1.626 122.825 121.223 -0.041 0.000 3.678 227 L HA -0.210 4.130 4.340 -0.000 0.000 0.425 227 L C -0.205 176.637 176.870 -0.048 0.000 1.240 227 L CA 0.399 55.200 54.840 -0.064 0.000 0.876 227 L CB -1.730 40.311 42.059 -0.031 0.000 1.766 227 L HN 0.071 nan 8.230 nan 0.000 0.917 228 D N 0.125 120.503 120.400 -0.036 0.000 2.462 228 D HA 0.376 5.016 4.640 -0.000 0.000 0.245 228 D C -1.534 174.788 176.300 0.037 0.000 1.122 228 D CA -1.939 52.062 54.000 0.003 0.000 0.864 228 D CB 1.941 42.754 40.800 0.022 0.000 1.098 228 D HN -0.116 nan 8.370 nan 0.000 0.541 229 P HA -0.048 nan 4.420 nan 0.000 0.217 229 P C 1.644 179.030 177.300 0.143 0.000 1.154 229 P CA 0.214 63.363 63.100 0.081 0.000 0.841 229 P CB 0.587 32.313 31.700 0.043 0.000 0.788 230 V N 0.375 120.344 119.914 0.092 0.000 2.343 230 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 230 V C 2.763 178.913 176.094 0.095 0.000 1.051 230 V CA 2.449 64.798 62.300 0.083 0.000 1.036 230 V CB -1.579 30.273 31.823 0.049 0.000 0.654 230 V HN 0.249 nan 8.190 nan 0.000 0.451 231 S N -0.462 115.297 115.700 0.098 0.000 2.382 231 S HA -0.229 4.241 4.470 -0.000 0.000 0.228 231 S C 1.945 176.638 174.600 0.154 0.000 1.027 231 S CA 1.829 60.090 58.200 0.101 0.000 0.991 231 S CB -0.474 62.772 63.200 0.077 0.000 0.823 231 S HN 0.560 nan 8.310 nan 0.000 0.469 232 F N 2.034 122.003 119.950 0.032 0.000 2.113 232 F HA 0.015 4.541 4.527 -0.000 0.000 0.297 232 F C 2.753 178.631 175.800 0.130 0.000 1.103 232 F CA 1.791 59.826 58.000 0.058 0.000 1.248 232 F CB -1.022 37.981 39.000 0.004 0.000 0.999 232 F HN 0.332 nan 8.300 nan 0.000 0.475 233 S N 0.422 116.217 115.700 0.158 0.000 2.383 233 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 233 S C 1.966 176.541 174.600 -0.042 0.000 1.030 233 S CA 1.858 60.079 58.200 0.034 0.000 1.002 233 S CB -0.600 62.658 63.200 0.096 0.000 0.829 233 S HN 0.517 nan 8.310 nan 0.000 0.467 234 N N 0.142 118.845 118.700 0.005 0.000 2.188 234 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 234 N C 1.463 176.951 175.510 -0.036 0.000 1.018 234 N CA 1.430 54.467 53.050 -0.021 0.000 0.858 234 N CB -0.762 37.733 38.487 0.013 0.000 0.989 234 N HN 0.712 nan 8.380 nan 0.000 0.426 235 Y N 1.586 121.804 120.300 -0.136 0.000 2.165 235 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 235 Y C 2.089 177.869 175.900 -0.200 0.000 1.155 235 Y CA 1.375 59.404 58.100 -0.118 0.000 1.164 235 Y CB -0.415 37.944 38.460 -0.168 0.000 0.978 235 Y HN -0.037 nan 8.280 nan 0.000 0.513 236 L N 0.203 121.203 121.223 -0.371 0.000 2.093 236 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 236 L C 2.407 178.956 176.870 -0.535 0.000 1.085 236 L CA 1.595 56.139 54.840 -0.494 0.000 0.755 236 L CB -0.475 41.358 42.059 -0.377 0.000 0.904 236 L HN 0.154 nan 8.230 nan 0.000 0.435 237 K N -0.004 120.147 120.400 -0.414 0.000 2.148 237 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 237 K C 2.117 178.348 176.600 -0.615 0.000 1.050 237 K CA 1.082 57.086 56.287 -0.471 0.000 0.942 237 K CB -0.019 32.348 32.500 -0.220 0.000 0.724 237 K HN 0.193 nan 8.250 nan 0.000 0.446 238 K N -0.158 119.936 120.400 -0.510 0.000 2.076 238 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 238 K C 1.014 177.163 176.600 -0.753 0.000 1.051 238 K CA 1.231 57.165 56.287 -0.589 0.000 0.949 238 K CB 0.197 32.337 32.500 -0.600 0.000 0.726 238 K HN 0.100 nan 8.250 nan 0.000 0.443 239 Y N -1.086 118.894 120.300 -0.534 0.000 2.426 239 Y HA 0.176 4.726 4.550 -0.000 0.000 0.249 239 Y C -0.348 175.437 175.900 -0.192 0.000 1.103 239 Y CA -0.149 57.676 58.100 -0.459 0.000 1.256 239 Y CB 0.407 38.484 38.460 -0.638 0.000 1.208 239 Y HN 0.162 nan 8.280 nan 0.000 0.519 240 H N 0.269 119.263 119.070 -0.127 0.000 2.690 240 H HA -0.264 4.292 4.556 -0.000 0.000 0.309 240 H C 0.349 175.542 175.328 -0.224 0.000 1.138 240 H CA 0.701 56.684 56.048 -0.108 0.000 1.142 240 H CB -1.637 28.145 29.762 0.034 0.000 1.410 240 H HN 0.413 nan 8.280 nan 0.000 0.409 241 N N 1.035 119.579 118.700 -0.260 0.000 2.356 241 N HA -0.029 4.711 4.740 -0.000 0.000 0.252 241 N C 0.462 175.734 175.510 -0.397 0.000 1.241 241 N CA 0.682 53.514 53.050 -0.364 0.000 0.861 241 N CB 0.541 38.948 38.487 -0.134 0.000 1.075 241 N HN 0.408 nan 8.380 nan 0.000 0.461 242 T N 2.337 116.564 114.554 -0.544 0.000 4.313 242 T HA 0.262 4.611 4.350 -0.000 0.000 0.272 242 T C 0.390 175.015 174.700 -0.125 0.000 1.298 242 T CA -0.391 61.502 62.100 -0.346 0.000 1.124 242 T CB -0.940 67.698 68.868 -0.383 0.000 1.352 242 T HN 0.309 nan 8.240 nan 0.000 1.013 243 I N 2.690 123.178 120.570 -0.137 0.000 2.291 243 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 243 I C 1.951 177.972 176.117 -0.161 0.000 1.064 243 I CA -1.105 60.104 61.300 -0.152 0.000 1.269 243 I CB 0.721 38.601 38.000 -0.200 0.000 1.418 243 I HN 0.703 nan 8.210 nan 0.000 0.485 244 C N 2.376 121.615 119.300 -0.102 0.000 2.435 244 C HA 0.006 4.465 4.460 -0.000 0.000 0.279 244 C C 1.992 176.929 174.990 -0.087 0.000 1.321 244 C CA 0.534 59.482 59.018 -0.116 0.000 1.752 244 C CB -1.524 26.167 27.740 -0.082 0.000 1.959 244 C HN 0.842 nan 8.230 nan 0.000 0.500 245 G N 1.204 109.974 108.800 -0.051 0.000 3.379 245 G HA2 0.190 4.150 3.960 -0.000 0.000 0.253 245 G HA3 0.190 4.150 3.960 -0.000 0.000 0.253 245 G C 1.569 176.430 174.900 -0.065 0.000 1.262 245 G CA 0.129 45.213 45.100 -0.028 0.000 0.959 245 G HN 0.851 nan 8.290 nan 0.000 0.524 246 R N -0.971 119.455 120.500 -0.123 0.000 2.200 246 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 246 R C 1.479 177.762 176.300 -0.029 0.000 1.127 246 R CA 1.215 57.291 56.100 -0.041 0.000 0.989 246 R CB -0.453 29.747 30.300 -0.167 0.000 0.869 246 R HN 0.334 nan 8.270 nan 0.000 0.459 247 H N 0.628 119.736 119.070 0.063 0.000 2.344 247 H HA 0.142 4.697 4.556 -0.000 0.000 0.307 247 H C -0.719 174.619 175.328 0.017 0.000 1.057 247 H CA 0.198 56.276 56.048 0.050 0.000 1.373 247 H CB -1.188 28.589 29.762 0.026 0.000 1.421 247 H HN 0.179 nan 8.280 nan 0.000 0.532 248 P HA -0.121 nan 4.420 nan 0.000 0.216 248 P C 1.719 179.004 177.300 -0.025 0.000 1.150 248 P CA 1.189 64.302 63.100 0.022 0.000 0.843 248 P CB -0.137 31.567 31.700 0.007 0.000 0.787 249 I N -0.873 119.660 120.570 -0.062 0.000 2.226 249 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 249 I C 2.542 178.528 176.117 -0.218 0.000 1.100 249 I CA 1.808 62.984 61.300 -0.206 0.000 1.374 249 I CB -1.321 36.473 38.000 -0.343 0.000 1.057 249 I HN 0.017 nan 8.210 nan 0.000 0.413 250 G N 0.695 109.460 108.800 -0.058 0.000 2.491 250 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 250 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 250 G C 1.717 176.632 174.900 0.025 0.000 1.180 250 G CA 1.128 46.250 45.100 0.036 0.000 0.774 250 G HN 0.241 nan 8.290 nan 0.000 0.562 251 V N 0.780 120.728 119.914 0.056 0.000 2.252 251 V HA -0.195 3.924 4.120 -0.000 0.000 0.249 251 V C 2.730 178.823 176.094 -0.001 0.000 1.056 251 V CA 1.876 64.226 62.300 0.084 0.000 1.022 251 V CB -0.615 31.276 31.823 0.113 0.000 0.641 251 V HN 0.363 nan 8.190 nan 0.000 0.445 252 L N -0.369 120.806 121.223 -0.080 0.000 1.989 252 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 252 L C 2.227 179.008 176.870 -0.148 0.000 1.071 252 L CA 1.972 56.723 54.840 -0.149 0.000 0.749 252 L CB -0.600 41.360 42.059 -0.164 0.000 0.890 252 L HN 0.218 nan 8.230 nan 0.000 0.431 253 L N -0.423 120.705 121.223 -0.160 0.000 2.083 253 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 253 L C 2.344 179.165 176.870 -0.080 0.000 1.083 253 L CA 1.232 55.981 54.840 -0.151 0.000 0.752 253 L CB -0.757 41.186 42.059 -0.193 0.000 0.899 253 L HN 0.421 nan 8.230 nan 0.000 0.433 254 N N 0.094 118.770 118.700 -0.041 0.000 2.216 254 N HA -0.103 4.636 4.740 -0.000 0.000 0.183 254 N C 1.927 177.424 175.510 -0.022 0.000 1.017 254 N CA 1.382 54.426 53.050 -0.010 0.000 0.861 254 N CB -0.128 38.377 38.487 0.030 0.000 0.986 254 N HN 0.295 nan 8.380 nan 0.000 0.428 255 A N 1.752 124.550 122.820 -0.036 0.000 1.908 255 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 255 A C 2.280 179.809 177.584 -0.092 0.000 1.181 255 A CA 0.935 52.931 52.037 -0.069 0.000 0.627 255 A CB -0.623 18.292 19.000 -0.142 0.000 0.818 255 A HN 0.199 nan 8.150 nan 0.000 0.445 256 I N 0.264 120.775 120.570 -0.098 0.000 2.252 256 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 256 I C 2.817 178.902 176.117 -0.055 0.000 1.102 256 I CA 1.874 63.125 61.300 -0.081 0.000 1.385 256 I CB -0.966 36.987 38.000 -0.079 0.000 1.064 256 I HN 0.538 nan 8.210 nan 0.000 0.414 257 T N -1.754 112.773 114.554 -0.046 0.000 2.867 257 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 257 T C 1.687 176.369 174.700 -0.030 0.000 1.057 257 T CA 1.247 63.328 62.100 -0.032 0.000 1.136 257 T CB -0.295 68.559 68.868 -0.022 0.000 0.874 257 T HN 0.186 nan 8.240 nan 0.000 0.466 258 E N 1.220 121.400 120.200 -0.033 0.000 2.153 258 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 258 E C 1.939 178.517 176.600 -0.036 0.000 0.988 258 E CA 0.878 57.259 56.400 -0.032 0.000 0.811 258 E CB -0.587 29.094 29.700 -0.032 0.000 0.746 258 E HN 0.597 nan 8.360 nan 0.000 0.466 259 L N -0.112 121.085 121.223 -0.043 0.000 2.240 259 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 259 L C 2.477 179.327 176.870 -0.033 0.000 1.106 259 L CA 0.695 55.511 54.840 -0.041 0.000 0.793 259 L CB -0.282 41.749 42.059 -0.048 0.000 0.927 259 L HN 0.175 nan 8.230 nan 0.000 0.446 260 Q N 0.372 120.153 119.800 -0.031 0.000 2.084 260 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 260 Q C 2.027 178.012 176.000 -0.025 0.000 0.978 260 Q CA 1.377 57.164 55.803 -0.027 0.000 0.844 260 Q CB -0.013 28.711 28.738 -0.023 0.000 0.898 260 Q HN 0.426 nan 8.270 nan 0.000 0.426 261 K N 0.474 120.859 120.400 -0.024 0.000 2.360 261 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 261 K C 0.638 177.224 176.600 -0.023 0.000 1.046 261 K CA 0.744 57.018 56.287 -0.022 0.000 0.940 261 K CB 0.080 32.566 32.500 -0.022 0.000 0.748 261 K HN 0.161 nan 8.250 nan 0.000 0.465 262 N N -0.451 118.234 118.700 -0.026 0.000 2.273 262 N HA 0.086 4.826 4.740 -0.000 0.000 0.231 262 N C 0.510 176.004 175.510 -0.027 0.000 1.134 262 N CA 0.587 53.622 53.050 -0.025 0.000 0.856 262 N CB 1.356 39.827 38.487 -0.026 0.000 1.068 262 N HN 0.281 nan 8.380 nan 0.000 0.510 263 G N 0.621 109.404 108.800 -0.029 0.000 2.179 263 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 263 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 263 G C 0.223 175.097 174.900 -0.043 0.000 0.977 263 G CA -0.070 45.010 45.100 -0.034 0.000 0.641 263 G HN 0.264 nan 8.290 nan 0.000 0.533 264 M N 0.660 120.237 119.600 -0.038 0.000 2.243 264 M HA 0.187 4.667 4.480 -0.000 0.000 0.341 264 M C 0.407 176.682 176.300 -0.042 0.000 1.130 264 M CA 0.324 55.599 55.300 -0.041 0.000 1.162 264 M CB 0.358 32.942 32.600 -0.027 0.000 1.497 264 M HN 0.132 nan 8.290 nan 0.000 0.456 265 N N 4.371 123.040 118.700 -0.052 0.000 2.444 265 N HA 0.514 5.254 4.740 -0.000 0.000 0.262 265 N C -1.371 174.132 175.510 -0.011 0.000 0.974 265 N CA -0.172 52.850 53.050 -0.046 0.000 0.933 265 N CB 1.113 39.542 38.487 -0.095 0.000 1.137 265 N HN 0.533 nan 8.380 nan 0.000 0.498 266 M N 0.759 120.358 119.600 -0.003 0.000 2.446 266 M HA 0.349 4.829 4.480 -0.000 0.000 0.294 266 M C -0.553 175.759 176.300 0.020 0.000 1.158 266 M CA -0.959 54.349 55.300 0.012 0.000 0.899 266 M CB 1.931 34.538 32.600 0.011 0.000 1.687 266 M HN 0.270 nan 8.290 nan 0.000 0.455 267 S N 1.993 117.704 115.700 0.019 0.000 2.500 267 S HA 0.756 5.226 4.470 -0.000 0.000 0.301 267 S C -1.411 173.207 174.600 0.030 0.000 1.092 267 S CA -0.597 57.620 58.200 0.029 0.000 1.030 267 S CB 1.854 65.060 63.200 0.010 0.000 1.031 267 S HN 0.642 nan 8.310 nan 0.000 0.483 268 F N 3.533 123.438 119.950 -0.075 0.000 2.421 268 F HA 0.672 5.199 4.527 -0.000 0.000 0.337 268 F C 0.069 175.801 175.800 -0.113 0.000 1.105 268 F CA 0.060 57.986 58.000 -0.124 0.000 1.049 268 F CB 1.684 40.595 39.000 -0.149 0.000 1.139 268 F HN 0.863 nan 8.300 nan 0.000 0.479 269 S N 4.511 119.978 115.700 -0.389 0.000 2.547 269 S HA 0.567 5.037 4.470 -0.000 0.000 0.281 269 S C -1.068 173.352 174.600 -0.300 0.000 1.118 269 S CA -0.791 57.332 58.200 -0.128 0.000 0.947 269 S CB 0.990 64.162 63.200 -0.048 0.000 1.053 269 S HN 0.437 nan 8.310 nan 0.000 0.482 270 F N 1.981 121.969 119.950 0.062 0.000 2.443 270 F HA 0.341 4.868 4.527 -0.000 0.000 0.353 270 F C 1.084 176.869 175.800 -0.025 0.000 1.101 270 F CA -0.615 57.412 58.000 0.045 0.000 1.226 270 F CB 0.722 39.756 39.000 0.057 0.000 1.140 270 F HN 0.438 nan 8.300 nan 0.000 0.557 271 L N 2.004 123.297 121.223 0.117 0.000 2.701 271 L HA 0.242 4.582 4.340 -0.000 0.000 0.238 271 L C -0.228 176.627 176.870 -0.025 0.000 1.106 271 L CA 0.369 55.237 54.840 0.047 0.000 0.898 271 L CB -0.988 41.099 42.059 0.048 0.000 1.188 271 L HN 0.699 nan 8.230 nan 0.000 0.508 272 N N -0.930 117.769 118.700 -0.002 0.000 2.636 272 N HA 0.256 4.995 4.740 -0.000 0.000 0.261 272 N C -1.814 173.736 175.510 0.067 0.000 1.195 272 N CA -0.459 52.515 53.050 -0.128 0.000 0.902 272 N CB 1.443 39.597 38.487 -0.554 0.000 1.627 272 N HN -0.057 nan 8.380 nan 0.000 0.491 273 Y N 1.828 122.072 120.300 -0.094 0.000 2.421 273 Y HA 0.796 5.346 4.550 -0.000 0.000 0.339 273 Y C -1.435 174.447 175.900 -0.031 0.000 0.996 273 Y CA -0.461 57.595 58.100 -0.074 0.000 1.046 273 Y CB 1.500 39.882 38.460 -0.131 0.000 1.226 273 Y HN 0.783 nan 8.280 nan 0.000 0.445 274 A N 5.005 127.507 122.820 -0.530 0.000 2.527 274 A HA 0.751 5.071 4.320 -0.000 0.000 0.293 274 A C -1.704 175.555 177.584 -0.541 0.000 1.117 274 A CA -0.887 50.940 52.037 -0.351 0.000 0.723 274 A CB 2.141 21.123 19.000 -0.031 0.000 1.313 274 A HN 0.747 nan 8.150 nan 0.000 0.411 275 Q N -0.046 119.570 119.800 -0.307 0.000 2.353 275 Q HA 0.403 4.743 4.340 -0.000 0.000 0.268 275 Q C 0.998 176.918 176.000 -0.132 0.000 1.045 275 Q CA 0.018 55.638 55.803 -0.306 0.000 0.811 275 Q CB 2.060 30.682 28.738 -0.192 0.000 1.305 275 Q HN 1.007 nan 8.270 nan 0.000 0.447 276 S N 0.932 116.528 115.700 -0.174 0.000 2.383 276 S HA -0.131 4.338 4.470 -0.000 0.000 0.229 276 S C 0.784 175.416 174.600 0.053 0.000 1.030 276 S CA 1.336 59.560 58.200 0.040 0.000 1.002 276 S CB -0.067 63.111 63.200 -0.036 0.000 0.829 276 S HN 0.661 nan 8.310 nan 0.000 0.467 277 S N -1.035 114.657 115.700 -0.014 0.000 2.703 277 S HA 0.475 4.945 4.470 -0.000 0.000 0.273 277 S C -1.841 172.711 174.600 -0.079 0.000 1.178 277 S CA -1.126 57.059 58.200 -0.024 0.000 0.838 277 S CB 1.141 64.345 63.200 0.007 0.000 1.178 277 S HN 0.289 nan 8.310 nan 0.000 0.494 278 Q N 0.503 120.221 119.800 -0.138 0.000 2.425 278 Q HA 0.438 4.778 4.340 -0.000 0.000 0.254 278 Q C -1.021 174.878 176.000 -0.168 0.000 1.032 278 Q CA -0.608 55.044 55.803 -0.251 0.000 0.798 278 Q CB 1.001 29.396 28.738 -0.572 0.000 1.210 278 Q HN 0.690 nan 8.270 nan 0.000 0.491 279 C N 2.268 121.513 119.300 -0.092 0.000 2.648 279 C HA 0.102 4.562 4.460 -0.000 0.000 0.419 279 C C 1.567 176.476 174.990 -0.136 0.000 1.352 279 C CA 0.035 58.985 59.018 -0.113 0.000 1.816 279 C CB -0.297 27.293 27.740 -0.249 0.000 2.598 279 C HN 0.927 nan 8.230 nan 0.000 0.598 280 R N 1.089 121.508 120.500 -0.134 0.000 2.383 280 R HA 0.146 4.486 4.340 -0.000 0.000 0.205 280 R C 0.371 176.518 176.300 -0.255 0.000 0.875 280 R CA 0.220 56.229 56.100 -0.151 0.000 1.039 280 R CB 0.251 30.512 30.300 -0.066 0.000 1.267 280 R HN 0.755 nan 8.270 nan 0.000 0.635 281 N N -1.134 117.452 118.700 -0.190 0.000 2.653 281 N HA 0.076 4.816 4.740 -0.000 0.000 0.294 281 N C -0.072 175.353 175.510 -0.141 0.000 1.305 281 N CA -0.569 52.352 53.050 -0.214 0.000 0.827 281 N CB 0.201 38.681 38.487 -0.011 0.000 1.415 281 N HN -0.015 nan 8.380 nan 0.000 0.546 282 W N 0.546 121.916 121.300 0.116 0.000 2.595 282 W HA 0.037 4.697 4.660 -0.000 0.000 0.257 282 W C 1.963 178.546 176.519 0.107 0.000 1.267 282 W CA 0.123 57.559 57.345 0.152 0.000 1.300 282 W CB -0.070 29.427 29.460 0.061 0.000 1.120 282 W HN 0.425 nan 8.180 nan 0.000 0.618 283 Q N -0.014 119.930 119.800 0.240 0.000 2.425 283 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 283 Q C -0.264 175.819 176.000 0.139 0.000 0.933 283 Q CA 0.636 56.530 55.803 0.151 0.000 0.939 283 Q CB -0.326 28.476 28.738 0.106 0.000 1.044 283 Q HN 0.184 nan 8.270 nan 0.000 0.513 284 D N 2.487 122.994 120.400 0.179 0.000 2.358 284 D HA 0.287 4.927 4.640 -0.000 0.000 0.244 284 D C 0.016 176.499 176.300 0.305 0.000 1.163 284 D CA 0.216 54.326 54.000 0.182 0.000 0.945 284 D CB 1.203 42.075 40.800 0.118 0.000 1.152 284 D HN 0.150 nan 8.370 nan 0.000 0.451 285 S N -1.064 114.798 115.700 0.270 0.000 2.535 285 S HA 0.699 5.169 4.470 -0.000 0.000 0.272 285 S C -0.890 173.895 174.600 0.309 0.000 1.149 285 S CA -0.786 57.641 58.200 0.377 0.000 0.888 285 S CB 1.456 64.810 63.200 0.257 0.000 1.110 285 S HN 0.480 nan 8.310 nan 0.000 0.463 286 S N 0.575 116.494 115.700 0.365 0.000 2.625 286 S HA 0.835 5.304 4.470 -0.000 0.000 0.271 286 S C -1.461 173.153 174.600 0.023 0.000 1.161 286 S CA -0.814 57.477 58.200 0.152 0.000 0.820 286 S CB 1.116 64.343 63.200 0.044 0.000 1.137 286 S HN 1.301 nan 8.310 nan 0.000 0.470 287 V N 1.535 121.310 119.914 -0.232 0.000 2.604 287 V HA 0.665 4.785 4.120 -0.000 0.000 0.305 287 V C -0.092 175.509 176.094 -0.822 0.000 1.043 287 V CA -0.596 61.366 62.300 -0.563 0.000 0.888 287 V CB 1.791 33.252 31.823 -0.603 0.000 0.995 287 V HN 0.970 nan 8.190 nan 0.000 0.429 288 S N 3.165 118.459 115.700 -0.676 0.000 2.578 288 S HA 0.773 5.243 4.470 -0.000 0.000 0.283 288 S C -1.263 172.972 174.600 -0.607 0.000 1.195 288 S CA -0.331 57.492 58.200 -0.629 0.000 1.050 288 S CB 0.742 63.836 63.200 -0.177 0.000 1.012 288 S HN 0.548 nan 8.310 nan 0.000 0.511 289 Y N 0.318 120.496 120.300 -0.203 0.000 2.373 289 Y HA 0.663 5.213 4.550 -0.000 0.000 0.336 289 Y C 0.007 175.874 175.900 -0.056 0.000 0.979 289 Y CA -1.143 56.932 58.100 -0.042 0.000 1.080 289 Y CB 1.276 39.707 38.460 -0.050 0.000 1.190 289 Y HN 0.734 nan 8.280 nan 0.000 0.446 290 A N 1.818 124.829 122.820 0.319 0.000 2.386 290 A HA 0.973 5.293 4.320 -0.000 0.000 0.311 290 A C -1.133 176.714 177.584 0.437 0.000 1.068 290 A CA -0.618 51.584 52.037 0.274 0.000 0.743 290 A CB 1.083 20.022 19.000 -0.102 0.000 1.258 290 A HN 0.951 nan 8.150 nan 0.000 0.429 291 A N 1.002 124.048 122.820 0.377 0.000 2.330 291 A HA 0.892 5.211 4.320 -0.000 0.000 0.313 291 A C 0.034 177.705 177.584 0.145 0.000 1.124 291 A CA 0.040 52.221 52.037 0.240 0.000 0.774 291 A CB 1.284 20.361 19.000 0.128 0.000 1.198 291 A HN 2.131 nan 8.150 nan 0.000 0.465 292 G N -0.172 108.564 108.800 -0.106 0.000 2.704 292 G HA2 0.794 4.754 3.960 -0.000 0.000 0.293 292 G HA3 0.794 4.754 3.960 -0.000 0.000 0.293 292 G C -0.970 173.496 174.900 -0.723 0.000 1.421 292 G CA 0.139 44.915 45.100 -0.540 0.000 0.870 292 G HN 1.650 nan 8.290 nan 0.000 0.492 293 A N 0.127 122.329 122.820 -1.030 0.000 2.386 293 A HA 0.783 5.102 4.320 -0.000 0.000 0.311 293 A C -1.108 175.819 177.584 -1.094 0.000 1.068 293 A CA -0.638 50.908 52.037 -0.818 0.000 0.743 293 A CB 1.870 20.608 19.000 -0.436 0.000 1.258 293 A HN 1.531 nan 8.150 nan 0.000 0.429 294 L N 2.020 122.872 121.223 -0.617 0.000 2.295 294 L HA 0.712 5.052 4.340 -0.000 0.000 0.285 294 L C 0.048 176.820 176.870 -0.163 0.000 1.035 294 L CA 0.245 54.916 54.840 -0.280 0.000 0.806 294 L CB 1.674 43.765 42.059 0.052 0.000 1.214 294 L HN 0.687 nan 8.230 nan 0.000 0.426 295 T N 2.906 117.393 114.554 -0.111 0.000 2.758 295 T HA 0.591 4.940 4.350 -0.000 0.000 0.285 295 T C -0.231 174.467 174.700 -0.003 0.000 0.981 295 T CA -0.715 61.354 62.100 -0.051 0.000 0.965 295 T CB 1.107 69.947 68.868 -0.046 0.000 0.927 295 T HN 0.376 nan 8.240 nan 0.000 0.448 296 V N 4.388 124.310 119.914 0.014 0.000 2.465 296 V HA 0.449 4.569 4.120 -0.000 0.000 0.279 296 V C 0.224 176.385 176.094 0.112 0.000 1.045 296 V CA -0.554 61.772 62.300 0.043 0.000 0.938 296 V CB 0.587 32.428 31.823 0.030 0.000 0.986 296 V HN 1.029 nan 8.190 nan 0.000 0.467 297 H N 0.000 119.061 119.070 -0.016 0.000 2.539 297 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 297 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 297 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 297 H HN 0.000 nan 8.280 nan 0.000 0.496