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 1hb5_1_D DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.869 176.870 -0.002 0.000 1.165 15 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 15 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 16 R N -0.604 119.895 120.500 -0.003 0.000 3.520 16 R HA -0.191 4.149 4.340 0.000 0.000 0.595 16 R C 1.240 177.536 176.300 -0.006 0.000 0.241 16 R CA 2.651 58.748 56.100 -0.004 0.000 1.835 16 R CB -2.427 27.871 30.300 -0.003 0.000 0.891 16 R HN 2.906 nan 8.270 nan 0.000 0.612 17 N N -2.121 116.574 118.700 -0.008 0.000 2.308 17 N HA -0.357 4.383 4.740 0.000 0.000 0.217 17 N C 1.666 177.167 175.510 -0.014 0.000 0.387 17 N CA 2.737 55.780 53.050 -0.012 0.000 4.100 17 N CB -1.337 37.143 38.487 -0.012 0.000 0.810 17 N HN 1.040 nan 8.380 nan 0.000 0.245 18 Q N 1.625 121.418 119.800 -0.011 0.000 2.133 18 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 18 Q C 2.179 178.172 176.000 -0.011 0.000 0.991 18 Q CA 2.904 58.700 55.803 -0.012 0.000 0.867 18 Q CB -0.252 28.481 28.738 -0.008 0.000 0.911 18 Q HN 0.788 nan 8.270 nan 0.000 0.417 19 Q N -1.719 118.076 119.800 -0.009 0.000 2.212 19 Q HA 0.083 4.423 4.340 0.000 0.000 0.199 19 Q C 2.031 178.025 176.000 -0.010 0.000 0.950 19 Q CA 0.938 56.737 55.803 -0.008 0.000 0.863 19 Q CB -0.306 28.429 28.738 -0.005 0.000 0.944 19 Q HN 0.340 nan 8.270 nan 0.000 0.465 20 A N 1.829 124.642 122.820 -0.011 0.000 1.877 20 A HA -0.108 4.212 4.320 0.000 0.000 0.216 20 A C 2.232 179.804 177.584 -0.019 0.000 1.186 20 A CA 1.551 53.580 52.037 -0.013 0.000 0.620 20 A CB -0.527 18.464 19.000 -0.014 0.000 0.822 20 A HN 0.355 nan 8.150 nan 0.000 0.443 21 M N -0.621 118.965 119.600 -0.024 0.000 2.132 21 M HA -0.092 4.388 4.480 0.000 0.000 0.263 21 M C 2.537 178.822 176.300 -0.026 0.000 1.065 21 M CA 1.306 56.587 55.300 -0.032 0.000 1.122 21 M CB -0.416 32.163 32.600 -0.035 0.000 1.365 21 M HN 0.471 nan 8.290 nan 0.000 0.411 22 A N 0.519 123.328 122.820 -0.019 0.000 1.933 22 A HA -0.063 4.257 4.320 0.000 0.000 0.218 22 A C 2.361 179.938 177.584 -0.012 0.000 1.175 22 A CA 1.970 53.998 52.037 -0.014 0.000 0.628 22 A CB -0.849 18.144 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.140 122.954 122.820 -0.010 0.000 1.897 23 A HA -0.161 4.159 4.320 0.000 0.000 0.215 23 A C 1.942 179.521 177.584 -0.008 0.000 1.181 23 A CA 1.911 53.944 52.037 -0.006 0.000 0.620 23 A CB -0.739 18.259 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.188 118.879 118.700 -0.015 0.000 2.043 24 N HA -0.142 4.598 4.740 0.000 0.000 0.193 24 N C 1.583 177.082 175.510 -0.019 0.000 1.037 24 N CA 1.932 54.971 53.050 -0.019 0.000 0.851 24 N CB -0.410 38.057 38.487 -0.034 0.000 1.027 24 N HN 0.455 nan 8.380 nan 0.000 0.422 25 L N -0.076 121.134 121.223 -0.022 0.000 2.012 25 L HA -0.191 4.149 4.340 0.000 0.000 0.210 25 L C 2.675 179.539 176.870 -0.011 0.000 1.073 25 L CA 1.184 56.012 54.840 -0.020 0.000 0.748 25 L CB -0.716 41.331 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.208 120.004 119.800 -0.007 0.000 2.084 26 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 26 Q C 2.314 178.315 176.000 0.002 0.000 0.978 26 Q CA 2.058 57.860 55.803 -0.003 0.000 0.844 26 Q CB -0.207 28.529 28.738 -0.002 0.000 0.898 26 Q HN 0.519 nan 8.270 nan 0.000 0.426 27 A N 0.887 123.709 122.820 0.004 0.000 1.902 27 A HA -0.192 4.128 4.320 0.000 0.000 0.217 27 A C 2.194 179.786 177.584 0.014 0.000 1.181 27 A CA 1.570 53.614 52.037 0.012 0.000 0.623 27 A CB -0.598 18.412 19.000 0.016 0.000 0.818 27 A HN 0.371 nan 8.150 nan 0.000 0.443 28 R N -0.325 120.178 120.500 0.005 0.000 2.083 28 R HA -0.212 4.128 4.340 0.000 0.000 0.237 28 R C 2.316 178.619 176.300 0.006 0.000 1.137 28 R CA 2.026 58.129 56.100 0.005 0.000 0.951 28 R CB -0.373 29.924 30.300 -0.006 0.000 0.851 28 R HN 0.695 nan 8.270 nan 0.000 0.434 29 Q N 0.114 119.915 119.800 0.002 0.000 2.096 29 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 29 Q C 2.233 178.236 176.000 0.005 0.000 0.982 29 Q CA 1.863 57.666 55.803 0.001 0.000 0.850 29 Q CB -0.113 28.624 28.738 -0.002 0.000 0.901 29 Q HN 0.452 nan 8.270 nan 0.000 0.422 30 I N -0.184 120.392 120.570 0.009 0.000 2.226 30 I HA -0.253 3.917 4.170 0.000 0.000 0.245 30 I C 2.192 178.322 176.117 0.020 0.000 1.100 30 I CA 0.781 62.088 61.300 0.013 0.000 1.374 30 I CB -0.272 37.736 38.000 0.013 0.000 1.057 30 I HN 0.057 nan 8.210 nan 0.000 0.413 31 V N 1.195 121.125 119.914 0.027 0.000 2.295 31 V HA -0.282 3.838 4.120 0.000 0.000 0.246 31 V C 2.412 178.523 176.094 0.027 0.000 1.049 31 V CA 1.788 64.112 62.300 0.039 0.000 1.024 31 V CB -0.458 31.394 31.823 0.047 0.000 0.648 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 L N -0.381 120.849 121.223 0.011 0.000 2.083 32 L HA -0.246 4.094 4.340 0.000 0.000 0.209 32 L C 2.627 179.491 176.870 -0.010 0.000 1.083 32 L CA 2.021 56.857 54.840 -0.006 0.000 0.752 32 L CB -0.561 41.490 42.059 -0.013 0.000 0.899 32 L HN 0.442 nan 8.230 nan 0.000 0.433 33 Q N -0.619 119.182 119.800 0.001 0.000 2.083 33 Q HA -0.191 4.149 4.340 0.000 0.000 0.198 33 Q C 2.147 178.158 176.000 0.019 0.000 0.969 33 Q CA 1.131 56.936 55.803 0.004 0.000 0.838 33 Q CB 0.219 28.960 28.738 0.005 0.000 0.900 33 Q HN 0.469 nan 8.270 nan 0.000 0.436 34 Q N 0.266 120.083 119.800 0.027 0.000 2.297 34 Q HA 0.059 4.399 4.340 0.000 0.000 0.203 34 Q C 1.233 177.273 176.000 0.068 0.000 0.931 34 Q CA 0.705 56.533 55.803 0.042 0.000 0.885 34 Q CB 0.482 29.238 28.738 0.031 0.000 0.991 34 Q HN 0.333 nan 8.270 nan 0.000 0.498 35 S N -0.483 115.257 115.700 0.067 0.000 2.634 35 S HA 0.315 4.785 4.470 0.000 0.000 0.261 35 S C -0.596 174.072 174.600 0.113 0.000 1.271 35 S CA -0.621 57.637 58.200 0.097 0.000 0.985 35 S CB 0.775 64.026 63.200 0.085 0.000 0.968 35 S HN 0.209 nan 8.310 nan 0.000 0.568 36 Y N 1.668 121.973 120.300 0.007 0.000 2.361 36 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 36 Y C -2.575 173.288 175.900 -0.061 0.000 0.965 36 Y CA -2.252 55.836 58.100 -0.021 0.000 1.091 36 Y CB 2.049 40.498 38.460 -0.017 0.000 1.182 36 Y HN 0.556 nan 8.280 nan 0.000 0.450 37 P HA 0.196 nan 4.420 nan 0.000 0.276 37 P C -1.285 175.872 177.300 -0.239 0.000 1.230 37 P CA 0.095 62.999 63.100 -0.327 0.000 0.776 37 P CB 1.956 33.444 31.700 -0.352 0.000 0.888 38 V N 4.840 124.548 119.914 -0.343 0.000 2.789 38 V HA 0.452 4.572 4.120 0.000 0.000 0.311 38 V C 0.086 175.998 176.094 -0.303 0.000 1.073 38 V CA -0.764 61.328 62.300 -0.346 0.000 0.921 38 V CB 2.441 33.873 31.823 -0.652 0.000 1.009 38 V HN 0.523 nan 8.190 nan 0.000 0.426 39 I N 3.570 124.100 120.570 -0.067 0.000 2.418 39 I HA 0.611 4.782 4.170 0.000 0.000 0.287 39 I C -0.721 175.520 176.117 0.206 0.000 1.008 39 I CA -0.079 61.272 61.300 0.085 0.000 1.104 39 I CB 1.470 39.512 38.000 0.070 0.000 1.264 39 I HN 0.827 nan 8.210 nan 0.000 0.438 40 Q N 6.571 126.578 119.800 0.344 0.000 2.331 40 Q HA 0.302 4.642 4.340 0.000 0.000 0.272 40 Q C -1.354 174.871 176.000 0.376 0.000 1.062 40 Q CA -0.758 55.267 55.803 0.371 0.000 0.806 40 Q CB 2.224 31.184 28.738 0.370 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.101 122.058 119.800 0.261 0.000 2.311 41 Q HA 0.159 4.499 4.340 0.000 0.000 0.272 41 Q C 0.163 176.176 176.000 0.021 0.000 1.012 41 Q CA 0.143 55.896 55.803 -0.085 0.000 0.891 41 Q CB 0.950 29.561 28.738 -0.212 0.000 1.201 41 Q HN 0.646 nan 8.270 nan 0.000 0.391 42 V N 0.092 120.014 119.914 0.013 0.000 3.572 42 V HA 0.431 4.551 4.120 0.000 0.000 0.260 42 V C 0.079 176.188 176.094 0.026 0.000 1.324 42 V CA 0.410 62.746 62.300 0.062 0.000 1.068 42 V CB 0.402 32.304 31.823 0.130 0.000 0.837 42 V HN 0.832 nan 8.190 nan 0.000 0.450 43 E N -0.698 119.496 120.200 -0.009 0.000 2.400 43 E HA 0.492 4.842 4.350 0.000 0.000 0.285 43 E C -1.542 175.010 176.600 -0.081 0.000 1.005 43 E CA -0.139 56.255 56.400 -0.010 0.000 0.816 43 E CB 2.257 32.005 29.700 0.080 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.385 116.826 114.554 -0.189 0.000 2.912 44 T HA 0.555 4.905 4.350 0.000 0.000 0.299 44 T C -1.737 172.664 174.700 -0.498 0.000 1.052 44 T CA -0.317 61.574 62.100 -0.348 0.000 0.996 44 T CB 1.666 70.402 68.868 -0.220 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.913 121.223 119.800 -0.816 0.000 2.386 45 Q HA 0.577 4.917 4.340 0.000 0.000 0.274 45 Q C -1.765 173.934 176.000 -0.502 0.000 1.011 45 Q CA -0.627 54.780 55.803 -0.660 0.000 0.867 45 Q CB 2.170 30.425 28.738 -0.804 0.000 1.409 45 Q HN 0.670 nan 8.270 nan 0.000 0.395 46 T N 3.492 117.910 114.554 -0.226 0.000 2.841 46 T HA 0.818 5.168 4.350 0.000 0.000 0.283 46 T C -1.169 173.541 174.700 0.016 0.000 1.000 46 T CA -0.392 61.611 62.100 -0.161 0.000 0.977 46 T CB 0.524 69.302 68.868 -0.149 0.000 0.979 46 T HN 0.474 nan 8.240 nan 0.000 0.446 47 F N -0.582 119.269 119.950 -0.165 0.000 2.779 47 F HA 0.736 5.263 4.527 0.000 0.000 0.316 47 F C -1.818 173.963 175.800 -0.032 0.000 1.164 47 F CA -1.334 56.635 58.000 -0.052 0.000 0.924 47 F CB 1.126 40.159 39.000 0.055 0.000 1.348 47 F HN 0.344 nan 8.300 nan 0.000 0.467 48 D N 2.253 122.736 120.400 0.138 0.000 2.381 48 D HA 0.372 5.012 4.640 0.000 0.000 0.235 48 D C -1.958 174.486 176.300 0.239 0.000 1.068 48 D CA -2.500 51.531 54.000 0.052 0.000 0.832 48 D CB 2.325 43.177 40.800 0.087 0.000 1.101 48 D HN 0.317 nan 8.370 nan 0.000 0.515 49 P HA -0.108 nan 4.420 nan 0.000 0.229 49 P C 0.945 178.373 177.300 0.214 0.000 1.150 49 P CA 0.458 63.718 63.100 0.268 0.000 0.765 49 P CB 0.268 31.999 31.700 0.052 0.000 0.783 50 A N 0.121 123.051 122.820 0.185 0.000 2.015 50 A HA -0.136 4.184 4.320 0.000 0.000 0.219 50 A C 2.123 179.781 177.584 0.123 0.000 1.163 50 A CA 1.310 53.437 52.037 0.151 0.000 0.646 50 A CB -0.758 18.321 19.000 0.131 0.000 0.806 50 A HN 0.156 nan 8.150 nan 0.000 0.448 51 N N -0.475 118.309 118.700 0.139 0.000 2.439 51 N HA 0.067 4.807 4.740 0.000 0.000 0.176 51 N C 0.448 176.000 175.510 0.069 0.000 1.029 51 N CA 0.873 53.984 53.050 0.103 0.000 0.886 51 N CB 0.170 38.725 38.487 0.113 0.000 1.057 51 N HN 0.748 nan 8.380 nan 0.000 0.437 52 R N -1.256 119.310 120.500 0.110 0.000 2.663 52 R HA 0.484 4.824 4.340 0.000 0.000 0.267 52 R C -0.625 175.670 176.300 -0.008 0.000 1.038 52 R CA -0.564 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.946 31.114 30.300 -0.220 0.000 1.249 52 R HN -0.053 nan 8.270 nan 0.000 0.463 53 S N -0.693 114.918 115.700 -0.147 0.000 2.800 53 S HA 0.190 4.660 4.470 0.000 0.000 0.266 53 S C -0.306 174.299 174.600 0.008 0.000 1.029 53 S CA -0.261 57.982 58.200 0.072 0.000 1.302 53 S CB 0.816 64.136 63.200 0.200 0.000 1.212 53 S HN 0.235 nan 8.310 nan 0.000 0.683 54 V N 2.852 122.533 119.914 -0.388 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.351 174.335 176.094 -0.680 0.000 1.025 54 V CA -0.437 61.671 62.300 -0.321 0.000 0.859 54 V CB 1.014 32.696 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.134 122.009 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 0.000 0.000 0.313 55 F C -0.086 175.630 175.800 -0.140 0.000 1.091 55 F CA -0.824 57.105 58.000 -0.119 0.000 0.915 55 F CB 1.971 40.918 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.674 123.103 120.400 0.049 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.161 175.141 176.300 0.005 0.000 1.073 56 D CA -0.094 53.892 54.000 -0.023 0.000 0.850 56 D CB 1.655 42.417 40.800 -0.063 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.431 123.321 119.914 -0.040 0.000 2.546 57 V HA 0.270 4.390 4.120 0.000 0.000 0.284 57 V C 0.696 176.750 176.094 -0.067 0.000 1.050 57 V CA -0.238 62.044 62.300 -0.031 0.000 0.981 57 V CB 1.652 33.426 31.823 -0.081 0.000 0.990 57 V HN 0.529 nan 8.190 nan 0.000 0.474 58 T N 7.433 121.972 114.554 -0.025 0.000 2.853 58 T HA 0.363 4.713 4.350 0.000 0.000 0.317 58 T C -2.169 172.536 174.700 0.008 0.000 1.059 58 T CA -0.794 61.291 62.100 -0.024 0.000 0.954 58 T CB 1.031 69.891 68.868 -0.014 0.000 0.994 58 T HN 0.559 nan 8.240 nan 0.000 0.479 59 P HA 0.441 nan 4.420 nan 0.000 0.274 59 P C -0.654 176.699 177.300 0.089 0.000 1.256 59 P CA -0.658 62.522 63.100 0.133 0.000 0.795 59 P CB 0.677 32.576 31.700 0.331 0.000 1.038 60 A N 1.706 124.569 122.820 0.071 0.000 2.354 60 A HA 0.229 4.549 4.320 0.000 0.000 0.269 60 A C 0.310 177.864 177.584 -0.051 0.000 1.109 60 A CA -0.483 51.545 52.037 -0.013 0.000 0.800 60 A CB -0.448 18.513 19.000 -0.064 0.000 1.045 60 A HN 0.469 nan 8.150 nan 0.000 0.489 61 N N 1.412 120.081 118.700 -0.053 0.000 2.719 61 N HA 0.322 5.062 4.740 0.000 0.000 0.243 61 N C -1.165 174.281 175.510 -0.107 0.000 1.104 61 N CA 0.157 53.174 53.050 -0.056 0.000 0.981 61 N CB 1.119 39.589 38.487 -0.029 0.000 1.290 61 N HN 0.416 nan 8.380 nan 0.000 0.513 62 V N 0.513 120.310 119.914 -0.196 0.000 2.733 62 V HA 0.698 4.818 4.120 0.000 0.000 0.306 62 V C 0.729 176.719 176.094 -0.173 0.000 1.084 62 V CA 0.231 62.395 62.300 -0.227 0.000 0.905 62 V CB 1.032 32.616 31.823 -0.397 0.000 1.010 62 V HN 0.787 nan 8.190 nan 0.000 0.424 63 G N 6.246 115.032 108.800 -0.023 0.000 2.594 63 G HA2 -0.269 3.691 3.960 0.000 0.000 0.297 63 G HA3 -0.269 3.691 3.960 0.000 0.000 0.297 63 G C -0.083 174.850 174.900 0.055 0.000 1.273 63 G CA 0.578 45.721 45.100 0.073 0.000 0.974 63 G HN 1.237 nan 8.290 nan 0.000 0.552 64 I N 0.745 121.382 120.570 0.113 0.000 2.312 64 I HA 0.371 4.541 4.170 0.000 0.000 0.290 64 I C 0.386 176.563 176.117 0.100 0.000 1.008 64 I CA -0.719 60.629 61.300 0.080 0.000 1.226 64 I CB 1.572 39.617 38.000 0.076 0.000 1.371 64 I HN 0.316 nan 8.210 nan 0.000 0.468 65 V N 7.688 127.624 119.914 0.036 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.930 176.974 176.094 -0.085 0.000 1.047 65 V CA -0.297 61.986 62.300 -0.028 0.000 0.955 65 V CB 1.089 32.847 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.950 123.302 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 0.000 0.000 0.198 66 K C 0.815 177.331 176.600 -0.139 0.000 1.052 66 K CA 0.732 57.010 56.287 -0.015 0.000 0.984 66 K CB 0.750 33.327 32.500 0.128 0.000 0.836 66 K HN 0.901 nan 8.250 nan 0.000 0.490 67 G N 0.226 108.725 108.800 -0.501 0.000 2.315 67 G HA2 0.383 4.343 3.960 0.000 0.000 0.294 67 G HA3 0.383 4.343 3.960 0.000 0.000 0.294 67 G C -1.983 172.064 174.900 -1.422 0.000 1.300 67 G CA -0.995 43.454 45.100 -1.085 0.000 0.843 67 G HN -0.005 nan 8.290 nan 0.000 0.527 68 F N -0.491 118.869 119.950 -0.984 0.000 2.547 68 F HA 0.653 5.180 4.527 0.000 0.000 0.316 68 F C -0.233 175.434 175.800 -0.221 0.000 1.121 68 F CA -0.805 56.961 58.000 -0.389 0.000 0.911 68 F CB 2.385 41.255 39.000 -0.217 0.000 1.179 68 F HN 0.418 nan 8.300 nan 0.000 0.443 69 L N 4.512 125.994 121.223 0.431 0.000 2.265 69 L HA 0.709 5.049 4.340 0.000 0.000 0.289 69 L C -1.058 176.154 176.870 0.569 0.000 1.033 69 L CA -0.479 54.752 54.840 0.652 0.000 0.814 69 L CB 1.084 43.579 42.059 0.726 0.000 1.203 69 L HN 0.402 nan 8.230 nan 0.000 0.423 70 V N 5.654 125.867 119.914 0.499 0.000 2.347 70 V HA 0.398 4.518 4.120 0.000 0.000 0.280 70 V C 0.046 176.337 176.094 0.329 0.000 1.021 70 V CA -0.784 61.749 62.300 0.387 0.000 0.847 70 V CB 1.168 33.151 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.279 124.787 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 0.000 0.000 0.274 71 K C -1.379 175.220 176.600 -0.002 0.000 1.009 71 K CA -0.389 55.747 56.287 -0.253 0.000 0.888 71 K CB 1.595 33.958 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.497 123.393 119.914 -0.030 0.000 2.531 72 V HA 0.355 4.475 4.120 0.000 0.000 0.301 72 V C -0.416 175.706 176.094 0.047 0.000 1.034 72 V CA -0.846 61.535 62.300 0.136 0.000 0.865 72 V CB 1.674 33.703 31.823 0.343 0.000 0.995 72 V HN 1.002 nan 8.190 nan 0.000 0.424 73 T N 1.310 115.880 114.554 0.028 0.000 2.887 73 T HA 0.958 5.308 4.350 0.000 0.000 0.288 73 T C -0.478 174.236 174.700 0.023 0.000 1.021 73 T CA -0.546 61.569 62.100 0.026 0.000 1.000 73 T CB 2.271 71.142 68.868 0.005 0.000 1.034 73 T HN 1.355 nan 8.240 nan 0.000 0.467 74 A N 0.858 123.727 122.820 0.082 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.954 176.720 177.584 0.151 0.000 1.071 74 A CA -0.816 51.299 52.037 0.131 0.000 0.685 74 A CB 1.278 20.459 19.000 0.302 0.000 1.285 74 A HN 1.648 nan 8.150 nan 0.000 0.405 75 A N 1.367 124.278 122.820 0.153 0.000 2.318 75 A HA 0.767 5.087 4.320 0.000 0.000 0.317 75 A C -0.831 176.822 177.584 0.115 0.000 1.159 75 A CA -0.291 51.805 52.037 0.100 0.000 0.799 75 A CB 0.378 19.406 19.000 0.047 0.000 1.194 75 A HN 0.747 nan 8.150 nan 0.000 0.479 76 I N 2.089 122.673 120.570 0.023 0.000 2.406 76 I HA 0.342 4.513 4.170 0.000 0.000 0.290 76 I C -0.255 175.768 176.117 -0.156 0.000 0.999 76 I CA -0.230 61.011 61.300 -0.099 0.000 1.124 76 I CB 2.410 40.327 38.000 -0.138 0.000 1.289 76 I HN 0.562 nan 8.210 nan 0.000 0.441 77 T N 4.431 118.877 114.554 -0.180 0.000 2.771 77 T HA 0.217 4.567 4.350 0.000 0.000 0.281 77 T C -0.063 174.482 174.700 -0.259 0.000 0.982 77 T CA -0.545 61.450 62.100 -0.175 0.000 0.978 77 T CB 0.827 69.631 68.868 -0.107 0.000 0.930 77 T HN 0.389 nan 8.240 nan 0.000 0.447 78 N N 3.196 121.756 118.700 -0.233 0.000 2.558 78 N HA 0.115 4.855 4.740 0.000 0.000 0.233 78 N C 0.192 175.622 175.510 -0.133 0.000 1.038 78 N CA -0.439 52.472 53.050 -0.232 0.000 0.934 78 N CB 0.201 38.563 38.487 -0.209 0.000 1.175 78 N HN 0.372 nan 8.380 nan 0.000 0.512 79 N N 1.530 120.154 118.700 -0.127 0.000 2.362 79 N HA -0.060 4.680 4.740 0.000 0.000 0.204 79 N C -0.237 175.240 175.510 -0.055 0.000 1.166 79 N CA 0.006 53.006 53.050 -0.083 0.000 0.831 79 N CB -0.184 38.251 38.487 -0.087 0.000 1.008 79 N HN 0.641 nan 8.380 nan 0.000 0.472 80 H N 0.031 119.033 119.070 -0.112 0.000 2.690 80 H HA 0.285 4.841 4.556 0.000 0.000 0.365 80 H C 1.204 176.493 175.328 -0.065 0.000 1.142 80 H CA 0.213 56.211 56.048 -0.084 0.000 1.417 80 H CB 1.180 30.890 29.762 -0.086 0.000 1.446 80 H HN 0.092 nan 8.280 nan 0.000 0.599 81 A N 2.173 124.792 122.820 -0.335 0.000 1.897 81 A HA -0.087 4.233 4.320 0.000 0.000 0.215 81 A C 1.813 179.422 177.584 0.042 0.000 1.181 81 A CA 1.933 53.889 52.037 -0.134 0.000 0.620 81 A CB -0.430 18.449 19.000 -0.202 0.000 0.821 81 A HN 0.856 nan 8.150 nan 0.000 0.443 82 T N -4.770 109.942 114.554 0.263 0.000 3.046 82 T HA 0.207 4.557 4.350 0.000 0.000 0.270 82 T C -0.054 174.727 174.700 0.134 0.000 0.920 82 T CA -0.293 61.914 62.100 0.179 0.000 0.874 82 T CB 0.210 69.146 68.868 0.114 0.000 1.214 82 T HN 0.167 nan 8.240 nan 0.000 0.536 83 E N 1.587 121.859 120.200 0.120 0.000 2.204 83 E HA 0.759 5.109 4.350 0.000 0.000 0.276 83 E C -0.298 176.191 176.600 -0.185 0.000 0.974 83 E CA -0.478 55.797 56.400 -0.208 0.000 0.815 83 E CB 2.036 31.398 29.700 -0.564 0.000 1.119 83 E HN 0.509 nan 8.360 nan 0.000 0.393 84 A N 1.885 124.632 122.820 -0.123 0.000 2.247 84 A HA 0.731 5.051 4.320 0.000 0.000 0.313 84 A C -0.107 177.422 177.584 -0.092 0.000 1.109 84 A CA -0.546 51.433 52.037 -0.095 0.000 0.890 84 A CB 0.794 19.762 19.000 -0.052 0.000 1.239 84 A HN 0.401 nan 8.150 nan 0.000 0.506 85 V N -4.039 115.838 119.914 -0.061 0.000 3.078 85 V HA 0.953 5.073 4.120 0.000 0.000 0.311 85 V C -0.239 175.937 176.094 0.136 0.000 1.138 85 V CA -0.328 61.985 62.300 0.022 0.000 1.007 85 V CB 1.143 32.980 31.823 0.024 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.466 125.424 122.820 0.230 0.000 2.454 86 A HA 0.846 5.166 4.320 0.000 0.000 0.302 86 A C -0.554 177.161 177.584 0.218 0.000 1.079 86 A CA -0.992 51.199 52.037 0.256 0.000 0.731 86 A CB 1.463 20.528 19.000 0.108 0.000 1.299 86 A HN 1.109 nan 8.150 nan 0.000 0.413 87 L N 1.889 123.133 121.223 0.035 0.000 2.543 87 L HA 0.118 4.458 4.340 0.000 0.000 0.285 87 L C 1.477 178.249 176.870 -0.164 0.000 1.236 87 L CA 0.177 54.830 54.840 -0.312 0.000 0.871 87 L CB 0.384 42.296 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.868 112.560 114.554 -0.210 0.000 2.770 88 T HA 0.089 4.439 4.350 0.000 0.000 0.281 88 T C 0.751 175.366 174.700 -0.140 0.000 0.981 88 T CA -0.802 61.194 62.100 -0.174 0.000 0.955 88 T CB 0.797 69.528 68.868 -0.228 0.000 1.060 88 T HN 0.501 nan 8.240 nan 0.000 0.531 89 D N -0.257 120.034 120.400 -0.181 0.000 2.178 89 D HA -0.014 4.626 4.640 0.000 0.000 0.201 89 D C 1.498 177.941 176.300 0.239 0.000 0.980 89 D CA 1.045 55.029 54.000 -0.028 0.000 0.842 89 D CB -0.222 40.514 40.800 -0.106 0.000 0.948 89 D HN 0.466 nan 8.370 nan 0.000 0.472 90 F N 0.165 120.043 119.950 -0.121 0.000 2.473 90 F HA 0.246 4.773 4.527 0.000 0.000 0.294 90 F C 2.183 177.930 175.800 -0.087 0.000 1.103 90 F CA 0.413 58.377 58.000 -0.060 0.000 1.442 90 F CB -0.909 38.023 39.000 -0.112 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.647 111.468 108.800 0.034 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.143 173.731 174.900 -0.044 0.000 1.286 91 G CA 0.547 45.586 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.048 nan 4.420 nan 0.000 0.228 92 P C 1.608 178.921 177.300 0.021 0.000 1.151 92 P CA 2.264 65.374 63.100 0.018 0.000 0.770 92 P CB -0.378 31.326 31.700 0.007 0.000 0.786 93 A N 0.074 122.867 122.820 -0.045 0.000 2.172 93 A HA -0.097 4.223 4.320 0.000 0.000 0.216 93 A C 1.831 179.550 177.584 0.225 0.000 1.154 93 A CA 1.007 53.013 52.037 -0.052 0.000 0.701 93 A CB -0.984 17.876 19.000 -0.233 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.362 118.470 118.700 0.220 0.000 2.268 94 N HA 0.189 4.929 4.740 0.000 0.000 0.204 94 N C 1.032 176.688 175.510 0.242 0.000 1.124 94 N CA 0.074 53.277 53.050 0.255 0.000 0.838 94 N CB 0.123 38.741 38.487 0.219 0.000 0.994 94 N HN 0.469 nan 8.380 nan 0.000 0.489 95 L N -0.290 121.110 121.223 0.296 0.000 2.201 95 L HA 0.008 4.348 4.340 0.000 0.000 0.212 95 L C 0.297 177.351 176.870 0.307 0.000 1.105 95 L CA 0.774 55.817 54.840 0.338 0.000 0.775 95 L CB 0.248 42.528 42.059 0.367 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.331 119.690 119.914 0.177 0.000 2.384 96 V HA 0.112 4.232 4.120 0.000 0.000 0.287 96 V C 0.556 176.559 176.094 -0.151 0.000 1.020 96 V CA -0.416 61.757 62.300 -0.212 0.000 0.850 96 V CB 1.672 33.056 31.823 -0.732 0.000 0.987 96 V HN 0.219 nan 8.190 nan 0.000 0.436 97 Q N 3.632 123.350 119.800 -0.135 0.000 2.062 97 Q HA 0.152 4.492 4.340 0.000 0.000 0.196 97 Q C 0.323 176.228 176.000 -0.159 0.000 0.967 97 Q CA 1.009 56.773 55.803 -0.065 0.000 0.832 97 Q CB 0.380 29.105 28.738 -0.023 0.000 0.899 97 Q HN 0.603 nan 8.270 nan 0.000 0.442 98 R N -0.820 119.536 120.500 -0.240 0.000 2.739 98 R HA 0.620 4.960 4.340 0.000 0.000 0.271 98 R C -1.751 174.359 176.300 -0.318 0.000 1.010 98 R CA -0.516 55.432 56.100 -0.253 0.000 0.897 98 R CB 2.575 32.773 30.300 -0.170 0.000 1.236 98 R HN -0.059 nan 8.270 nan 0.000 0.466 99 V N 2.956 122.699 119.914 -0.284 0.000 2.971 99 V HA 0.696 4.816 4.120 0.000 0.000 0.309 99 V C -1.548 174.427 176.094 -0.197 0.000 1.130 99 V CA -0.598 61.534 62.300 -0.279 0.000 0.964 99 V CB 2.136 33.766 31.823 -0.321 0.000 1.029 99 V HN 0.633 nan 8.190 nan 0.000 0.427 100 I N 5.923 126.395 120.570 -0.163 0.000 2.607 100 I HA 0.420 4.590 4.170 0.000 0.000 0.290 100 I C -1.828 174.228 176.117 -0.101 0.000 1.129 100 I CA -0.658 60.554 61.300 -0.146 0.000 1.042 100 I CB 2.224 40.146 38.000 -0.131 0.000 1.242 100 I HN 0.747 nan 8.210 nan 0.000 0.421 101 Y N 6.266 126.414 120.300 -0.254 0.000 2.376 101 Y HA 0.597 5.147 4.550 0.000 0.000 0.340 101 Y C -1.716 174.055 175.900 -0.215 0.000 0.965 101 Y CA -0.695 57.292 58.100 -0.189 0.000 1.078 101 Y CB 1.296 39.653 38.460 -0.171 0.000 1.193 101 Y HN 0.362 nan 8.280 nan 0.000 0.452 102 Y N 4.661 124.453 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.091 175.277 175.900 -0.886 0.000 0.975 102 Y CA -1.022 56.741 58.100 -0.561 0.000 1.089 102 Y CB 1.171 39.443 38.460 -0.315 0.000 1.192 102 Y HN 0.719 nan 8.280 nan 0.000 0.454 103 D N 2.721 122.982 120.400 -0.231 0.000 2.451 103 D HA 0.235 4.875 4.640 0.000 0.000 0.259 103 D C -2.231 174.065 176.300 -0.007 0.000 1.201 103 D CA -2.299 51.659 54.000 -0.070 0.000 1.028 103 D CB 0.411 41.356 40.800 0.242 0.000 1.095 103 D HN 0.165 nan 8.370 nan 0.000 0.539 104 P HA -0.065 nan 4.420 nan 0.000 0.221 104 P C -0.009 177.305 177.300 0.023 0.000 1.145 104 P CA 1.045 64.155 63.100 0.018 0.000 0.795 104 P CB 0.102 31.819 31.700 0.028 0.000 0.775 105 D N -1.344 119.088 120.400 0.054 0.000 2.358 105 D HA 0.058 4.698 4.640 0.000 0.000 0.224 105 D C 0.261 176.596 176.300 0.058 0.000 1.123 105 D CA -0.005 54.026 54.000 0.051 0.000 0.833 105 D CB -0.508 40.330 40.800 0.063 0.000 0.946 105 D HN 0.026 nan 8.370 nan 0.000 0.505 106 N N 1.036 119.773 118.700 0.062 0.000 2.741 106 N HA -0.215 4.525 4.740 0.000 0.000 0.251 106 N C 0.121 175.744 175.510 0.189 0.000 1.112 106 N CA 0.675 53.783 53.050 0.097 0.000 0.750 106 N CB -1.047 37.457 38.487 0.028 0.000 1.119 106 N HN 0.365 nan 8.380 nan 0.000 0.561 107 Q N 1.202 121.100 119.800 0.164 0.000 2.256 107 Q HA 0.350 4.690 4.340 0.000 0.000 0.254 107 Q C -0.131 175.955 176.000 0.144 0.000 0.916 107 Q CA -0.197 55.685 55.803 0.132 0.000 0.932 107 Q CB 0.749 29.540 28.738 0.087 0.000 1.207 107 Q HN 0.116 nan 8.270 nan 0.000 0.426 108 R N 3.053 123.552 120.500 -0.001 0.000 2.490 108 R HA 0.266 4.606 4.340 0.000 0.000 0.280 108 R C 0.292 176.591 176.300 -0.002 0.000 1.077 108 R CA -0.136 55.868 56.100 -0.161 0.000 1.065 108 R CB 0.668 30.751 30.300 -0.360 0.000 1.003 108 R HN 0.820 nan 8.270 nan 0.000 0.470 109 H N 0.221 119.254 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 0.000 0.000 0.118 109 H C 0.089 175.335 175.328 -0.138 0.000 1.355 109 H CA -0.343 55.681 56.048 -0.039 0.000 0.741 109 H CB 0.262 30.068 29.762 0.073 0.000 1.615 109 H HN 0.381 nan 8.280 nan 0.000 0.266 110 T N 1.524 116.080 114.554 0.003 0.000 2.916 110 T HA 0.085 4.435 4.350 0.000 0.000 0.303 110 T C 0.111 174.743 174.700 -0.114 0.000 1.025 110 T CA 0.469 62.493 62.100 -0.127 0.000 1.142 110 T CB 0.317 69.073 68.868 -0.187 0.000 0.947 110 T HN 0.390 nan 8.240 nan 0.000 0.544 111 E N 2.172 122.309 120.200 -0.105 0.000 2.642 111 E HA 0.433 4.783 4.350 0.000 0.000 0.284 111 E C -0.804 175.750 176.600 -0.076 0.000 1.039 111 E CA -0.466 55.872 56.400 -0.103 0.000 0.777 111 E CB 0.922 30.569 29.700 -0.088 0.000 1.473 111 E HN 0.592 nan 8.360 nan 0.000 0.388 112 T N 0.986 115.469 114.554 -0.119 0.000 2.731 112 T HA 0.447 4.797 4.350 0.000 0.000 0.300 112 T C -0.920 173.645 174.700 -0.225 0.000 1.283 112 T CA -0.221 61.805 62.100 -0.124 0.000 1.005 112 T CB 1.075 69.942 68.868 -0.002 0.000 1.420 112 T HN 0.416 nan 8.240 nan 0.000 0.503 113 S N 0.002 115.497 115.700 -0.342 0.000 2.617 113 S HA 0.485 4.955 4.470 0.000 0.000 0.269 113 S C 1.628 175.964 174.600 -0.440 0.000 1.292 113 S CA 0.056 57.979 58.200 -0.462 0.000 1.010 113 S CB 0.858 63.546 63.200 -0.853 0.000 0.944 113 S HN 1.073 nan 8.310 nan 0.000 0.536 114 G N 1.083 109.682 108.800 -0.335 0.000 2.418 114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 114 G C 1.324 176.212 174.900 -0.019 0.000 1.158 114 G CA 0.757 45.713 45.100 -0.240 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.208 121.464 121.300 -0.074 0.000 2.388 115 W HA -0.028 4.632 4.660 0.000 0.000 0.294 115 W C 1.793 177.996 176.519 -0.528 0.000 1.212 115 W CA 0.844 57.956 57.345 -0.389 0.000 1.271 115 W CB -1.047 28.140 29.460 -0.455 0.000 1.126 115 W HN 0.417 nan 8.180 nan 0.000 0.535 116 H N 1.262 119.965 119.070 -0.611 0.000 2.326 116 H HA -0.183 4.373 4.556 0.000 0.000 0.301 116 H C 2.354 177.575 175.328 -0.179 0.000 1.081 116 H CA 1.807 57.629 56.048 -0.376 0.000 1.334 116 H CB -0.131 29.243 29.762 -0.646 0.000 1.385 116 H HN 0.114 nan 8.280 nan 0.000 0.504 117 L N 1.072 122.070 121.223 -0.375 0.000 2.013 117 L HA -0.220 4.120 4.340 0.000 0.000 0.212 117 L C 2.594 179.368 176.870 -0.161 0.000 1.073 117 L CA 2.470 57.127 54.840 -0.306 0.000 0.753 117 L CB -1.137 40.810 42.059 -0.186 0.000 0.890 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.318 117.679 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.846 177.157 175.328 -0.028 0.000 1.090 118 H CA 2.193 58.166 56.048 -0.125 0.000 1.327 118 H CB -0.353 29.306 29.762 -0.171 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.231 119.602 119.950 -0.195 0.000 2.216 119 F HA -0.103 4.424 4.527 0.000 0.000 0.300 119 F C 2.662 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.858 58.791 58.000 -0.112 0.000 1.326 119 F CB -0.975 38.002 39.000 -0.038 0.000 1.027 119 F HN 0.104 nan 8.300 nan 0.000 0.497 120 V N 0.068 119.969 119.914 -0.023 0.000 2.427 120 V HA -0.270 3.850 4.120 0.000 0.000 0.248 120 V C 1.939 177.976 176.094 -0.095 0.000 1.051 120 V CA 1.798 64.070 62.300 -0.047 0.000 1.048 120 V CB -0.839 30.888 31.823 -0.161 0.000 0.666 120 V HN 0.362 nan 8.190 nan 0.000 0.456 121 N N -0.286 118.270 118.700 -0.240 0.000 2.104 121 N HA -0.187 4.553 4.740 0.000 0.000 0.190 121 N C 1.838 177.216 175.510 -0.219 0.000 1.024 121 N CA 1.818 54.606 53.050 -0.436 0.000 0.853 121 N CB -0.200 37.623 38.487 -1.105 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.589 115.046 114.554 -0.162 0.000 2.708 122 T HA -0.092 4.258 4.350 0.000 0.000 0.266 122 T C 2.062 176.729 174.700 -0.056 0.000 1.037 122 T CA 1.195 63.270 62.100 -0.041 0.000 1.146 122 T CB -0.338 68.481 68.868 -0.082 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.891 124.686 122.820 -0.042 0.000 1.908 123 A HA -0.155 4.165 4.320 0.000 0.000 0.218 123 A C 2.275 179.850 177.584 -0.016 0.000 1.181 123 A CA 1.405 53.381 52.037 -0.102 0.000 0.627 123 A CB -0.336 18.564 19.000 -0.167 0.000 0.818 123 A HN 0.294 nan 8.150 nan 0.000 0.445 124 K N -0.658 119.739 120.400 -0.005 0.000 2.155 124 K HA -0.133 4.187 4.320 0.000 0.000 0.203 124 K C 2.141 178.725 176.600 -0.027 0.000 1.052 124 K CA 1.413 57.687 56.287 -0.022 0.000 0.948 124 K CB -0.214 32.245 32.500 -0.067 0.000 0.728 124 K HN 0.762 nan 8.250 nan 0.000 0.448 125 Q N -0.054 119.748 119.800 0.003 0.000 2.187 125 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 125 Q C 0.641 176.630 176.000 -0.020 0.000 0.957 125 Q CA 1.263 57.074 55.803 0.013 0.000 0.857 125 Q CB 0.248 29.045 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.573 108.208 108.800 -0.032 0.000 2.141 126 G HA2 -0.165 3.795 3.960 0.000 0.000 0.242 126 G HA3 -0.165 3.795 3.960 0.000 0.000 0.242 126 G C -0.067 174.790 174.900 -0.072 0.000 0.982 126 G CA 0.201 45.273 45.100 -0.047 0.000 0.662 126 G HN 0.823 nan 8.290 nan 0.000 0.527 127 A N -1.301 121.473 122.820 -0.076 0.000 2.597 127 A HA 0.787 5.107 4.320 0.000 0.000 0.292 127 A C -3.134 174.414 177.584 -0.060 0.000 1.057 127 A CA -0.743 51.241 52.037 -0.088 0.000 0.674 127 A CB 0.715 19.674 19.000 -0.068 0.000 1.278 127 A HN 0.156 nan 8.150 nan 0.000 0.416 128 P HA 0.111 nan 4.420 nan 0.000 0.258 128 P C -0.348 177.017 177.300 0.108 0.000 1.172 128 P CA 0.562 63.676 63.100 0.023 0.000 0.762 128 P CB -0.143 31.571 31.700 0.023 0.000 0.764 129 F N 5.765 125.723 119.950 0.014 0.000 2.612 129 F HA -0.058 4.469 4.527 0.000 0.000 0.389 129 F C 1.173 176.995 175.800 0.038 0.000 1.055 129 F CA 0.361 58.379 58.000 0.028 0.000 1.232 129 F CB -0.403 38.640 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.592 124.445 121.223 -0.617 0.000 3.976 130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 130 L C 0.621 177.338 176.870 -0.255 0.000 1.177 130 L CA 0.557 55.052 54.840 -0.576 0.000 0.968 130 L CB -2.351 39.209 42.059 -0.831 0.000 1.933 130 L HN 0.734 nan 8.230 nan 0.000 0.976 131 S N -1.846 113.770 115.700 -0.141 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.317 174.868 174.600 -0.082 0.000 1.258 131 S CA -0.033 58.123 58.200 -0.073 0.000 0.990 131 S CB 2.196 65.380 63.200 -0.027 0.000 0.967 131 S HN 0.274 nan 8.310 nan 0.000 0.556 132 S N 1.718 117.387 115.700 -0.053 0.000 2.498 132 S HA 0.449 4.919 4.470 0.000 0.000 0.324 132 S C -0.046 174.533 174.600 -0.036 0.000 1.071 132 S CA -1.020 57.153 58.200 -0.045 0.000 1.113 132 S CB -0.423 62.762 63.200 -0.025 0.000 0.976 132 S HN 0.778 nan 8.310 nan 0.000 0.462 133 M N 4.123 123.694 119.600 -0.048 0.000 2.240 133 M HA 0.544 5.024 4.480 0.000 0.000 0.333 133 M C -0.863 175.418 176.300 -0.031 0.000 1.110 133 M CA -0.409 54.865 55.300 -0.043 0.000 1.173 133 M CB 0.496 33.060 32.600 -0.059 0.000 1.458 133 M HN 0.247 nan 8.290 nan 0.000 0.458 134 V N 2.623 122.524 119.914 -0.022 0.000 2.439 134 V HA 0.602 4.722 4.120 0.000 0.000 0.282 134 V C 0.466 176.550 176.094 -0.017 0.000 1.039 134 V CA -0.165 62.129 62.300 -0.011 0.000 0.913 134 V CB 1.185 33.006 31.823 -0.004 0.000 0.983 134 V HN 1.107 nan 8.190 nan 0.000 0.460 135 T N -0.269 114.279 114.554 -0.009 0.000 2.838 135 T HA 0.350 4.700 4.350 0.000 0.000 0.292 135 T C 0.254 174.958 174.700 0.006 0.000 1.113 135 T CA -0.286 61.806 62.100 -0.014 0.000 1.008 135 T CB 1.905 70.750 68.868 -0.038 0.000 1.259 135 T HN 0.628 nan 8.240 nan 0.000 0.520 136 D N -0.072 120.330 120.400 0.004 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.666 176.983 176.300 0.029 0.000 1.061 136 D CA -0.174 53.835 54.000 0.014 0.000 0.875 136 D CB -0.388 40.416 40.800 0.007 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.793 117.520 115.700 0.045 0.000 2.544 137 S HA 0.078 4.548 4.470 0.000 0.000 0.290 137 S C -1.043 173.611 174.600 0.089 0.000 1.276 137 S CA -0.931 57.321 58.200 0.086 0.000 1.075 137 S CB 0.989 64.287 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.059 nan 4.420 nan 0.000 0.225 138 P C 0.121 177.438 177.300 0.027 0.000 1.156 138 P CA 0.339 63.462 63.100 0.038 0.000 0.787 138 P CB -0.044 31.671 31.700 0.024 0.000 0.802 139 I N 1.180 121.779 120.570 0.048 0.000 2.648 139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 139 I C 1.350 177.409 176.117 -0.097 0.000 1.153 139 I CA 0.284 61.551 61.300 -0.054 0.000 1.426 139 I CB 0.172 38.130 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.534 126.828 120.400 -0.176 0.000 3.233 140 K HA 0.072 4.392 4.320 0.000 0.000 0.283 140 K C -0.708 175.804 176.600 -0.147 0.000 1.209 140 K CA -0.015 56.199 56.287 -0.121 0.000 1.197 140 K CB -0.587 31.860 32.500 -0.088 0.000 1.431 140 K HN 0.366 nan 8.250 nan 0.000 0.326 141 Y N 0.567 120.856 120.300 -0.018 0.000 2.296 141 Y HA 0.299 4.849 4.550 0.000 0.000 0.343 141 Y C 1.552 177.439 175.900 -0.021 0.000 1.292 141 Y CA 0.661 58.748 58.100 -0.023 0.000 1.490 141 Y CB 0.784 39.229 38.460 -0.026 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.072 108.966 108.800 0.157 0.000 2.332 142 G HA2 -0.029 3.931 3.960 0.000 0.000 0.265 142 G HA3 -0.029 3.931 3.960 0.000 0.000 0.265 142 G C -1.743 173.181 174.900 0.040 0.000 1.329 142 G CA -0.833 44.312 45.100 0.075 0.000 0.949 142 G HN 0.534 nan 8.290 nan 0.000 0.476 143 D N 0.541 120.955 120.400 0.024 0.000 2.508 143 D HA 0.441 5.081 4.640 0.000 0.000 0.224 143 D C 1.385 177.694 176.300 0.014 0.000 1.171 143 D CA 0.096 54.104 54.000 0.014 0.000 1.006 143 D CB 0.680 41.488 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.800 122.721 119.914 0.011 0.000 2.575 144 V HA -0.030 4.090 4.120 0.000 0.000 0.242 144 V C 1.881 177.979 176.094 0.007 0.000 1.045 144 V CA 0.780 63.084 62.300 0.006 0.000 1.065 144 V CB -0.117 31.706 31.823 -0.000 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.443 119.161 119.600 0.005 0.000 2.371 145 M HA 0.285 4.765 4.480 0.000 0.000 0.246 145 M C 0.374 176.689 176.300 0.026 0.000 1.103 145 M CA 0.091 55.397 55.300 0.011 0.000 1.010 145 M CB -0.622 31.976 32.600 -0.003 0.000 1.457 145 M HN 0.380 nan 8.290 nan 0.000 0.486 146 N N 1.169 119.883 118.700 0.024 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.026 176.575 175.510 0.065 0.000 0.993 146 N CA 0.269 53.343 53.050 0.040 0.000 0.759 146 N CB -1.233 37.283 38.487 0.048 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.210 119.726 119.914 0.036 0.000 2.287 147 V HA -0.113 4.007 4.120 0.000 0.000 0.248 147 V C 1.416 177.611 176.094 0.169 0.000 1.053 147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 147 V CB 0.018 31.762 31.823 -0.131 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.374 120.997 120.570 0.087 0.000 2.410 148 I HA 0.488 4.658 4.170 0.000 0.000 0.286 148 I C -1.119 175.036 176.117 0.063 0.000 1.009 148 I CA -0.296 61.065 61.300 0.102 0.000 1.111 148 I CB 1.760 39.801 38.000 0.068 0.000 1.262 148 I HN 0.228 nan 8.210 nan 0.000 0.443 149 D N 5.388 125.830 120.400 0.070 0.000 2.717 149 D HA 0.799 5.439 4.640 0.000 0.000 0.223 149 D C -1.612 174.732 176.300 0.074 0.000 1.240 149 D CA -0.298 53.740 54.000 0.063 0.000 0.801 149 D CB 2.295 43.136 40.800 0.068 0.000 1.556 149 D HN 0.679 nan 8.370 nan 0.000 0.462 150 A N 2.484 125.350 122.820 0.077 0.000 2.555 150 A HA 0.633 4.953 4.320 0.000 0.000 0.297 150 A C -2.819 174.845 177.584 0.133 0.000 1.060 150 A CA -1.153 50.954 52.037 0.117 0.000 0.710 150 A CB 1.424 20.477 19.000 0.089 0.000 1.282 150 A HN 0.425 nan 8.150 nan 0.000 0.399 151 P HA 0.306 nan 4.420 nan 0.000 0.268 151 P C 0.988 178.419 177.300 0.218 0.000 1.204 151 P CA 0.468 63.665 63.100 0.161 0.000 0.768 151 P CB 1.309 33.083 31.700 0.124 0.000 0.842 152 A N 3.548 126.451 122.820 0.138 0.000 1.978 152 A HA -0.039 4.281 4.320 0.000 0.000 0.220 152 A C 1.125 178.827 177.584 0.197 0.000 1.170 152 A CA 1.937 54.050 52.037 0.126 0.000 0.636 152 A CB -0.949 18.096 19.000 0.074 0.000 0.810 152 A HN 0.739 nan 8.150 nan 0.000 0.448 153 T N -3.833 110.828 114.554 0.178 0.000 2.883 153 T HA 0.673 5.023 4.350 0.000 0.000 0.301 153 T C -0.882 173.840 174.700 0.036 0.000 1.158 153 T CA -0.630 61.557 62.100 0.145 0.000 1.007 153 T CB 1.479 70.387 68.868 0.068 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.824 122.337 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 0.000 0.000 0.283 154 I C 0.618 176.654 176.117 -0.135 0.000 1.023 154 I CA -1.113 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.454 39.209 38.000 -0.409 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.736 127.506 122.820 -0.083 0.000 2.366 155 A HA 0.713 5.033 4.320 0.000 0.000 0.249 155 A C 0.632 178.177 177.584 -0.066 0.000 1.084 155 A CA -0.287 51.714 52.037 -0.061 0.000 0.794 155 A CB 0.460 19.439 19.000 -0.035 0.000 1.034 155 A HN 0.838 nan 8.150 nan 0.000 0.491 156 A N -0.014 122.782 122.820 -0.039 0.000 2.566 156 A HA 0.449 4.769 4.320 0.000 0.000 0.245 156 A C 1.628 179.198 177.584 -0.025 0.000 1.056 156 A CA 0.968 52.999 52.037 -0.011 0.000 0.757 156 A CB -1.096 17.930 19.000 0.043 0.000 0.979 156 A HN 2.755 nan 8.150 nan 0.000 0.508 157 G N 0.841 109.618 108.800 -0.038 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.555 175.422 174.900 -0.054 0.000 0.982 157 G CA 0.606 45.679 45.100 -0.044 0.000 0.632 157 G HN 2.192 nan 8.290 nan 0.000 0.529 158 A N -0.522 122.257 122.820 -0.068 0.000 2.269 158 A HA 0.854 5.174 4.320 0.000 0.000 0.319 158 A C 0.235 177.764 177.584 -0.092 0.000 1.110 158 A CA 0.630 52.626 52.037 -0.070 0.000 0.847 158 A CB 1.103 20.063 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.621 115.132 114.554 -0.073 0.000 2.812 159 T HA 0.606 4.956 4.350 0.000 0.000 0.282 159 T C 0.164 174.830 174.700 -0.058 0.000 0.990 159 T CA 0.043 62.099 62.100 -0.074 0.000 0.960 159 T CB 1.460 70.301 68.868 -0.046 0.000 0.948 159 T HN 1.037 nan 8.240 nan 0.000 0.438 160 G N 1.956 110.713 108.800 -0.071 0.000 2.400 160 G HA2 0.630 4.590 3.960 0.000 0.000 0.333 160 G HA3 0.630 4.590 3.960 0.000 0.000 0.333 160 G C -0.841 174.074 174.900 0.026 0.000 1.143 160 G CA -0.570 44.514 45.100 -0.025 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.621 120.853 120.200 0.052 0.000 2.171 161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 161 E C -0.913 175.747 176.600 0.100 0.000 0.916 161 E CA -0.515 55.927 56.400 0.070 0.000 0.774 161 E CB 2.386 32.116 29.700 0.050 0.000 1.128 161 E HN 0.135 nan 8.360 nan 0.000 0.403 162 L N 1.397 122.692 121.223 0.120 0.000 2.341 162 L HA 0.532 4.872 4.340 0.000 0.000 0.267 162 L C 0.032 176.966 176.870 0.107 0.000 1.009 162 L CA -0.468 54.452 54.840 0.133 0.000 0.819 162 L CB 2.120 44.291 42.059 0.186 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.273 116.885 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 0.000 0.000 0.297 163 T C -1.086 173.657 174.700 0.073 0.000 1.013 163 T CA -0.364 61.783 62.100 0.079 0.000 0.990 163 T CB 1.637 70.572 68.868 0.111 0.000 1.023 163 T HN 0.428 nan 8.240 nan 0.000 0.447 164 M N 3.185 122.796 119.600 0.017 0.000 2.501 164 M HA 0.678 5.158 4.480 0.000 0.000 0.293 164 M C -2.377 173.870 176.300 -0.089 0.000 1.192 164 M CA -0.851 54.435 55.300 -0.022 0.000 0.886 164 M CB 1.668 34.234 32.600 -0.058 0.000 1.710 164 M HN 0.618 nan 8.290 nan 0.000 0.457 165 Y N 2.732 123.002 120.300 -0.050 0.000 2.462 165 Y HA 0.707 5.257 4.550 0.000 0.000 0.346 165 Y C -1.518 174.431 175.900 0.082 0.000 0.976 165 Y CA -0.333 57.851 58.100 0.141 0.000 1.044 165 Y CB 2.069 40.667 38.460 0.230 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.171 121.768 120.300 0.495 0.000 2.477 166 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 166 Y C -1.018 175.104 175.900 0.370 0.000 0.981 166 Y CA -1.553 56.732 58.100 0.309 0.000 1.033 166 Y CB 2.039 40.567 38.460 0.113 0.000 1.245 166 Y HN 0.645 nan 8.280 nan 0.000 0.455 167 W N 4.985 126.374 121.300 0.149 0.000 2.361 167 W HA 0.668 5.328 4.660 0.000 0.000 0.314 167 W C -1.903 174.643 176.519 0.046 0.000 1.041 167 W CA -1.017 56.404 57.345 0.127 0.000 1.241 167 W CB 1.454 30.944 29.460 0.050 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.359 128.984 119.914 -0.483 0.000 2.334 168 V HA 0.194 4.314 4.120 0.000 0.000 0.267 168 V C -1.609 173.990 176.094 -0.825 0.000 1.040 168 V CA -1.559 60.471 62.300 -0.451 0.000 0.866 168 V CB 0.963 32.653 31.823 -0.222 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.388 nan 4.420 nan 0.000 0.286 169 P C 0.045 177.244 177.300 -0.168 0.000 1.261 169 P CA -0.303 62.630 63.100 -0.280 0.000 0.821 169 P CB 2.497 34.357 31.700 0.267 0.000 1.013 170 L N 1.498 122.660 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 0.000 0.000 0.178 170 L C 1.378 178.376 176.870 0.214 0.000 1.135 170 L CA 0.101 54.899 54.840 -0.070 0.000 0.855 170 L CB -0.830 41.055 42.059 -0.289 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.893 122.024 122.820 0.162 0.000 2.445 171 A HA -0.034 4.286 4.320 0.000 0.000 0.242 171 A C 0.550 178.289 177.584 0.257 0.000 1.075 171 A CA 0.045 52.201 52.037 0.197 0.000 0.777 171 A CB -0.049 19.032 19.000 0.136 0.000 1.013 171 A HN 0.366 nan 8.150 nan 0.000 0.493 172 Y N 2.287 122.577 120.300 -0.017 0.000 2.181 172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 172 Y C 1.288 177.145 175.900 -0.071 0.000 1.146 172 Y CA 1.806 59.721 58.100 -0.308 0.000 1.164 172 Y CB 0.015 38.316 38.460 -0.264 0.000 0.982 172 Y HN 0.883 nan 8.280 nan 0.000 0.515 173 S N -2.125 113.560 115.700 -0.025 0.000 2.790 173 S HA 0.230 4.700 4.470 0.000 0.000 0.292 173 S C 0.522 175.113 174.600 -0.016 0.000 1.197 173 S CA -0.285 57.857 58.200 -0.096 0.000 0.851 173 S CB 1.282 64.413 63.200 -0.115 0.000 1.217 173 S HN 0.090 nan 8.310 nan 0.000 0.526 174 E N 0.479 120.640 120.200 -0.065 0.000 2.204 174 E HA -0.023 4.327 4.350 0.000 0.000 0.194 174 E C 1.539 178.121 176.600 -0.030 0.000 0.989 174 E CA 2.040 58.403 56.400 -0.061 0.000 0.824 174 E CB -0.225 29.410 29.700 -0.108 0.000 0.756 174 E HN 0.789 nan 8.360 nan 0.000 0.477 175 T N -3.072 111.476 114.554 -0.011 0.000 2.985 175 T HA 0.100 4.450 4.350 0.000 0.000 0.254 175 T C 0.243 174.959 174.700 0.028 0.000 1.021 175 T CA -0.155 61.946 62.100 0.002 0.000 0.957 175 T CB 0.246 69.113 68.868 -0.001 0.000 1.047 175 T HN -0.060 nan 8.240 nan 0.000 0.511 176 D N 1.188 121.627 120.400 0.064 0.000 2.453 176 D HA 0.313 4.953 4.640 0.000 0.000 0.238 176 D C 0.629 176.973 176.300 0.074 0.000 1.088 176 D CA -0.687 53.361 54.000 0.079 0.000 0.854 176 D CB 1.063 41.971 40.800 0.180 0.000 1.076 176 D HN 0.206 nan 8.370 nan 0.000 0.533 177 L N 2.496 123.736 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 0.000 0.000 0.233 177 L C 0.761 177.636 176.870 0.009 0.000 1.144 177 L CA 0.156 55.014 54.840 0.031 0.000 0.892 177 L CB -0.324 41.748 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.867 115.390 114.554 -0.052 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.258 175.951 174.700 -0.013 0.000 0.998 178 T CA 1.055 63.053 62.100 -0.170 0.000 1.162 178 T CB 0.839 69.393 68.868 -0.522 0.000 0.947 178 T HN 0.630 nan 8.240 nan 0.000 0.536 179 G N 2.041 110.862 108.800 0.036 0.000 2.213 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.236 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.236 179 G C 0.362 175.375 174.900 0.187 0.000 0.991 179 G CA -0.036 45.186 45.100 0.203 0.000 0.629 179 G HN 1.159 nan 8.290 nan 0.000 0.517 180 A N -0.464 122.421 122.820 0.108 0.000 2.386 180 A HA 0.652 4.972 4.320 0.000 0.000 0.246 180 A C 0.404 178.029 177.584 0.068 0.000 1.089 180 A CA 0.753 52.829 52.037 0.064 0.000 0.790 180 A CB 0.874 19.904 19.000 0.050 0.000 1.042 180 A HN 1.197 nan 8.150 nan 0.000 0.497 181 V N 1.818 121.748 119.914 0.027 0.000 2.448 181 V HA 0.310 4.430 4.120 0.000 0.000 0.295 181 V C -0.499 175.620 176.094 0.041 0.000 1.025 181 V CA -0.523 61.809 62.300 0.052 0.000 0.859 181 V CB 1.371 33.220 31.823 0.043 0.000 0.988 181 V HN 0.777 nan 8.190 nan 0.000 0.431 182 L N 5.182 126.430 121.223 0.042 0.000 2.278 182 L HA 0.665 5.005 4.340 0.000 0.000 0.287 182 L C 0.703 177.578 176.870 0.007 0.000 1.072 182 L CA 0.663 55.510 54.840 0.013 0.000 0.819 182 L CB 0.982 43.038 42.059 -0.004 0.000 1.176 182 L HN 0.753 nan 8.230 nan 0.000 0.435 183 A N 3.754 126.569 122.820 -0.009 0.000 2.624 183 A HA 0.167 4.487 4.320 0.000 0.000 0.287 183 A C 1.300 178.857 177.584 -0.045 0.000 1.087 183 A CA -0.058 51.971 52.037 -0.013 0.000 0.964 183 A CB -0.583 18.422 19.000 0.009 0.000 1.231 183 A HN 0.852 nan 8.150 nan 0.000 0.551 184 N N -0.009 118.651 118.700 -0.067 0.000 2.459 184 N HA -0.078 4.662 4.740 0.000 0.000 0.181 184 N C 1.213 176.672 175.510 -0.085 0.000 1.046 184 N CA 1.624 54.626 53.050 -0.081 0.000 0.904 184 N CB 0.249 38.669 38.487 -0.111 0.000 0.964 184 N HN 0.355 nan 8.380 nan 0.000 0.444 185 V N -2.323 117.540 119.914 -0.084 0.000 3.054 185 V HA 0.255 4.375 4.120 0.000 0.000 0.227 185 V C -1.161 174.909 176.094 -0.039 0.000 1.252 185 V CA -0.125 62.133 62.300 -0.069 0.000 1.279 185 V CB -1.360 30.407 31.823 -0.092 0.000 1.118 185 V HN -0.117 nan 8.190 nan 0.000 0.504 186 P HA -0.348 nan 4.420 nan 0.000 0.237 186 P C 1.058 178.350 177.300 -0.013 0.000 1.132 186 P CA 3.189 66.281 63.100 -0.014 0.000 0.939 186 P CB -0.135 31.564 31.700 -0.002 0.000 0.749 187 Q N -3.952 115.838 119.800 -0.016 0.000 2.540 187 Q HA -0.273 4.067 4.340 0.000 0.000 0.186 187 Q C 0.810 176.800 176.000 -0.016 0.000 2.876 187 Q CA 1.920 57.714 55.803 -0.015 0.000 0.213 187 Q CB -2.706 26.023 28.738 -0.014 0.000 0.199 187 Q HN 0.446 nan 8.270 nan 0.000 0.403 188 S N 2.721 118.412 115.700 -0.016 0.000 2.558 188 S HA 0.147 4.617 4.470 0.000 0.000 0.291 188 S C 0.375 174.960 174.600 -0.025 0.000 1.306 188 S CA 0.564 58.750 58.200 -0.022 0.000 1.056 188 S CB 0.460 63.648 63.200 -0.020 0.000 0.836 188 S HN 0.290 nan 8.310 nan 0.000 0.504 189 K N 3.696 124.073 120.400 -0.038 0.000 2.202 189 K HA 0.286 4.606 4.320 0.000 0.000 0.264 189 K C -0.164 176.400 176.600 -0.060 0.000 1.010 189 K CA -0.567 55.695 56.287 -0.042 0.000 0.940 189 K CB 0.485 32.955 32.500 -0.050 0.000 0.983 189 K HN 0.649 nan 8.250 nan 0.000 0.475 190 Q N 1.171 120.941 119.800 -0.050 0.000 2.221 190 Q HA 0.334 4.674 4.340 0.000 0.000 0.242 190 Q C -0.781 175.128 176.000 -0.151 0.000 0.940 190 Q CA -0.730 55.010 55.803 -0.104 0.000 0.896 190 Q CB 1.553 30.306 28.738 0.026 0.000 1.226 190 Q HN 0.465 nan 8.270 nan 0.000 0.463 191 R N 1.190 121.533 120.500 -0.262 0.000 2.502 191 R HA 0.393 4.733 4.340 0.000 0.000 0.300 191 R C -1.626 174.546 176.300 -0.214 0.000 0.984 191 R CA -0.751 55.235 56.100 -0.190 0.000 0.882 191 R CB 1.220 31.428 30.300 -0.152 0.000 1.180 191 R HN 0.340 nan 8.270 nan 0.000 0.444 192 L N 3.671 124.780 121.223 -0.189 0.000 2.301 192 L HA 0.394 4.734 4.340 0.000 0.000 0.278 192 L C -0.885 175.880 176.870 -0.176 0.000 1.022 192 L CA -0.248 54.467 54.840 -0.208 0.000 0.854 192 L CB 0.841 42.630 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.178 126.502 120.400 -0.126 0.000 2.201 193 K HA 0.602 4.922 4.320 0.000 0.000 0.278 193 K C -1.234 175.237 176.600 -0.214 0.000 1.027 193 K CA -0.419 55.792 56.287 -0.127 0.000 0.909 193 K CB 1.359 33.828 32.500 -0.052 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.457 123.527 121.223 -0.255 0.000 2.381 194 L HA 0.360 4.700 4.340 0.000 0.000 0.274 194 L C -0.437 176.186 176.870 -0.411 0.000 0.988 194 L CA -0.625 53.944 54.840 -0.450 0.000 0.824 194 L CB 1.956 43.611 42.059 -0.673 0.000 1.263 194 L HN 0.646 nan 8.230 nan 0.000 0.410 195 E N 3.180 123.119 120.200 -0.436 0.000 2.129 195 E HA 0.450 4.800 4.350 0.000 0.000 0.268 195 E C -1.303 175.108 176.600 -0.316 0.000 0.900 195 E CA -0.606 55.642 56.400 -0.253 0.000 0.755 195 E CB 1.036 30.646 29.700 -0.150 0.000 1.117 195 E HN 0.301 nan 8.360 nan 0.000 0.410 196 F N 1.887 121.847 119.950 0.017 0.000 2.370 196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 196 F C 1.075 176.903 175.800 0.046 0.000 1.129 196 F CA -0.556 57.481 58.000 0.061 0.000 1.109 196 F CB 0.836 39.966 39.000 0.216 0.000 1.262 196 F HN 0.505 nan 8.300 nan 0.000 0.534 197 A N 1.642 124.611 122.820 0.249 0.000 2.448 197 A HA 0.393 4.713 4.320 0.000 0.000 0.239 197 A C -0.264 177.382 177.584 0.103 0.000 1.080 197 A CA -0.166 51.975 52.037 0.174 0.000 0.779 197 A CB -0.194 18.960 19.000 0.257 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.712 118.102 118.700 0.191 0.000 3.102 198 N HA 0.258 4.998 4.740 0.000 0.000 0.299 198 N C -0.126 175.625 175.510 0.402 0.000 1.482 198 N CA -0.826 52.364 53.050 0.233 0.000 0.785 198 N CB 0.363 38.958 38.487 0.181 0.000 1.680 198 N HN 0.296 nan 8.380 nan 0.000 0.594 199 N N -0.604 118.355 118.700 0.431 0.000 2.573 199 N HA -0.028 4.712 4.740 0.000 0.000 0.187 199 N C -0.043 175.670 175.510 0.338 0.000 1.107 199 N CA 0.644 53.986 53.050 0.486 0.000 0.918 199 N CB -0.540 38.197 38.487 0.417 0.000 0.966 199 N HN 0.578 nan 8.380 nan 0.000 0.448 200 N N -1.078 117.754 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 0.000 0.000 0.176 200 N C 1.505 177.081 175.510 0.110 0.000 1.062 200 N CA 0.800 53.946 53.050 0.160 0.000 0.895 200 N CB 0.392 38.955 38.487 0.127 0.000 1.018 200 N HN 0.238 nan 8.380 nan 0.000 0.456 201 T N -2.835 111.768 114.554 0.081 0.000 3.000 201 T HA 0.313 4.663 4.350 0.000 0.000 0.248 201 T C 1.852 176.517 174.700 -0.058 0.000 1.034 201 T CA 0.167 62.292 62.100 0.042 0.000 1.060 201 T CB 0.090 69.003 68.868 0.075 0.000 0.983 201 T HN 0.042 nan 8.240 nan 0.000 0.482 202 A N 0.814 123.489 122.820 -0.242 0.000 2.066 202 A HA 0.408 4.728 4.320 0.000 0.000 0.218 202 A C 0.141 177.242 177.584 -0.806 0.000 1.157 202 A CA 0.251 51.917 52.037 -0.618 0.000 0.670 202 A CB -0.575 17.825 19.000 -1.001 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.813 119.195 119.950 0.096 0.000 2.477 203 F HA 0.672 5.199 4.527 0.000 0.000 0.335 203 F C 0.219 176.053 175.800 0.056 0.000 1.130 203 F CA -1.421 56.619 58.000 0.067 0.000 0.948 203 F CB 1.431 40.450 39.000 0.030 0.000 1.154 203 F HN 0.067 nan 8.300 nan 0.000 0.439 204 A N 2.001 124.935 122.820 0.189 0.000 2.304 204 A HA 0.877 5.197 4.320 0.000 0.000 0.323 204 A C -0.195 177.447 177.584 0.097 0.000 1.195 204 A CA -0.587 51.517 52.037 0.111 0.000 0.826 204 A CB 0.673 19.706 19.000 0.056 0.000 1.184 204 A HN 0.967 nan 8.150 nan 0.000 0.496 205 A N 1.673 124.538 122.820 0.075 0.000 2.332 205 A HA 0.535 4.855 4.320 0.000 0.000 0.258 205 A C 0.395 177.997 177.584 0.031 0.000 1.087 205 A CA -0.319 51.747 52.037 0.048 0.000 0.802 205 A CB 0.011 19.037 19.000 0.043 0.000 1.042 205 A HN 1.218 nan 8.150 nan 0.000 0.489 206 V N 1.375 121.298 119.914 0.014 0.000 2.617 206 V HA 0.355 4.475 4.120 0.000 0.000 0.304 206 V C 1.690 177.790 176.094 0.010 0.000 1.040 206 V CA 1.886 64.191 62.300 0.008 0.000 1.149 206 V CB -0.045 31.776 31.823 -0.003 0.000 0.914 206 V HN 1.967 nan 8.190 nan 0.000 0.487 207 G N 3.208 112.013 108.800 0.008 0.000 2.241 207 G HA2 -0.128 3.832 3.960 0.000 0.000 0.244 207 G HA3 -0.128 3.832 3.960 0.000 0.000 0.244 207 G C 0.414 175.319 174.900 0.009 0.000 0.998 207 G CA 0.263 45.365 45.100 0.005 0.000 0.621 207 G HN 1.513 nan 8.290 nan 0.000 0.519 208 A N -0.127 122.704 122.820 0.019 0.000 2.271 208 A HA 0.655 4.975 4.320 0.000 0.000 0.288 208 A C 0.501 178.102 177.584 0.028 0.000 1.094 208 A CA 0.110 52.162 52.037 0.025 0.000 0.828 208 A CB 0.385 19.406 19.000 0.036 0.000 1.091 208 A HN 0.518 nan 8.150 nan 0.000 0.493 209 N N 1.103 119.824 118.700 0.035 0.000 2.452 209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 209 N C -1.756 173.779 175.510 0.040 0.000 1.175 209 N CA -1.307 51.778 53.050 0.059 0.000 0.945 209 N CB 1.013 39.537 38.487 0.062 0.000 1.063 209 N HN 0.349 nan 8.380 nan 0.000 0.472 210 P HA -0.008 nan 4.420 nan 0.000 0.255 210 P C 1.521 178.656 177.300 -0.274 0.000 1.248 210 P CA -0.124 62.912 63.100 -0.106 0.000 0.807 210 P CB 0.476 32.094 31.700 -0.137 0.000 1.150 211 L N 1.567 122.645 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 0.000 0.000 0.219 211 L C 1.745 178.415 176.870 -0.334 0.000 1.077 211 L CA 2.206 56.776 54.840 -0.451 0.000 0.773 211 L CB -0.903 41.126 42.059 -0.050 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.014 120.151 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.681 177.305 176.600 0.041 0.000 1.039 212 E CA 0.575 57.023 56.400 0.082 0.000 0.881 212 E CB -0.071 29.713 29.700 0.140 0.000 0.970 212 E HN 0.576 nan 8.360 nan 0.000 0.486 213 A N 0.733 123.527 122.820 -0.045 0.000 2.271 213 A HA 0.510 4.830 4.320 0.000 0.000 0.288 213 A C 1.098 178.641 177.584 -0.069 0.000 1.094 213 A CA -0.444 51.561 52.037 -0.053 0.000 0.828 213 A CB 0.531 19.506 19.000 -0.042 0.000 1.091 213 A HN 0.048 nan 8.150 nan 0.000 0.493 214 I N -1.583 118.938 120.570 -0.082 0.000 3.039 214 I HA 0.124 4.294 4.170 0.000 0.000 0.270 214 I C -0.376 175.557 176.117 -0.307 0.000 1.150 214 I CA 0.638 61.858 61.300 -0.134 0.000 1.448 214 I CB 0.003 37.985 38.000 -0.031 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.339 120.667 120.300 0.047 0.000 2.499 215 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 215 Y C -0.251 175.707 175.900 0.096 0.000 0.987 215 Y CA -0.769 57.391 58.100 0.099 0.000 1.044 215 Y CB 1.735 40.304 38.460 0.182 0.000 1.245 215 Y HN -0.068 nan 8.280 nan 0.000 0.461 216 Q N 1.263 121.188 119.800 0.208 0.000 2.359 216 Q HA 0.765 5.105 4.340 0.000 0.000 0.274 216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 216 Q CA -0.628 55.248 55.803 0.121 0.000 0.810 216 Q CB 2.658 31.424 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.375 109.207 108.800 0.052 0.000 2.337 217 G HA2 0.358 4.318 3.960 0.000 0.000 0.298 217 G HA3 0.358 4.318 3.960 0.000 0.000 0.298 217 G C -0.265 174.607 174.900 -0.047 0.000 1.335 217 G CA -0.132 44.970 45.100 0.003 0.000 0.875 217 G HN 0.722 nan 8.290 nan 0.000 0.579 218 A N -0.867 121.896 122.820 -0.095 0.000 2.070 218 A HA 0.319 4.639 4.320 0.000 0.000 0.220 218 A C 2.238 179.624 177.584 -0.330 0.000 1.159 218 A CA 2.719 54.659 52.037 -0.162 0.000 0.656 218 A CB -0.435 18.469 19.000 -0.160 0.000 0.800 218 A HN 1.995 nan 8.150 nan 0.000 0.453 219 G N -1.732 106.857 108.800 -0.352 0.000 3.189 219 G HA2 0.343 4.303 3.960 0.000 0.000 0.225 219 G HA3 0.343 4.303 3.960 0.000 0.000 0.225 219 G C 1.286 176.085 174.900 -0.169 0.000 1.159 219 G CA 0.852 45.673 45.100 -0.464 0.000 0.763 219 G HN 0.607 nan 8.290 nan 0.000 0.549 220 A N 1.461 124.223 122.820 -0.097 0.000 1.917 220 A HA 0.105 4.425 4.320 0.000 0.000 0.219 220 A C 2.760 180.331 177.584 -0.022 0.000 1.182 220 A CA 2.242 54.263 52.037 -0.027 0.000 0.633 220 A CB -0.712 18.338 19.000 0.084 0.000 0.819 220 A HN 0.796 nan 8.150 nan 0.000 0.448 221 A N -0.690 122.145 122.820 0.025 0.000 2.024 221 A HA -0.163 4.157 4.320 0.000 0.000 0.220 221 A C 1.355 178.946 177.584 0.012 0.000 1.164 221 A CA 1.774 53.840 52.037 0.048 0.000 0.643 221 A CB -0.338 18.704 19.000 0.069 0.000 0.806 221 A HN 0.481 nan 8.150 nan 0.000 0.451 222 D N -1.196 119.203 120.400 -0.002 0.000 2.424 222 D HA 0.196 4.836 4.640 0.000 0.000 0.220 222 D C -0.355 175.830 176.300 -0.193 0.000 1.150 222 D CA -0.036 53.934 54.000 -0.049 0.000 0.831 222 D CB -0.090 40.722 40.800 0.020 0.000 0.981 222 D HN 0.290 nan 8.370 nan 0.000 0.500 223 C N 1.545 120.606 119.300 -0.399 0.000 2.398 223 C HA 0.568 5.028 4.460 0.000 0.000 0.364 223 C C 0.530 175.013 174.990 -0.845 0.000 1.219 223 C CA -0.503 58.028 59.018 -0.811 0.000 2.312 223 C CB 0.834 27.688 27.740 -1.478 0.000 2.428 223 C HN 0.399 nan 8.230 nan 0.000 0.564 224 E N 0.612 120.408 120.200 -0.673 0.000 2.401 224 E HA 0.455 4.805 4.350 0.000 0.000 0.280 224 E C -1.765 174.801 176.600 -0.056 0.000 1.039 224 E CA -0.690 55.601 56.400 -0.183 0.000 0.814 224 E CB 0.587 30.271 29.700 -0.027 0.000 1.275 224 E HN 0.356 nan 8.360 nan 0.000 0.448 225 F N 1.530 121.607 119.950 0.211 0.000 2.427 225 F HA 0.164 4.691 4.527 0.000 0.000 0.352 225 F C 1.777 177.601 175.800 0.039 0.000 1.100 225 F CA 0.012 58.099 58.000 0.144 0.000 1.191 225 F CB 1.439 40.512 39.000 0.121 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.567 121.879 120.200 0.187 0.000 2.076 226 E HA -0.060 4.290 4.350 0.000 0.000 0.190 226 E C -0.384 176.252 176.600 0.060 0.000 0.979 226 E CA 1.037 57.488 56.400 0.084 0.000 0.807 226 E CB 0.400 30.123 29.700 0.039 0.000 0.761 226 E HN 0.752 nan 8.360 nan 0.000 0.454 227 E N -0.944 119.290 120.200 0.057 0.000 2.398 227 E HA 0.390 4.740 4.350 0.000 0.000 0.280 227 E C -1.329 175.129 176.600 -0.236 0.000 1.122 227 E CA -0.581 55.743 56.400 -0.127 0.000 0.873 227 E CB 0.361 29.980 29.700 -0.135 0.000 1.294 227 E HN 0.081 nan 8.360 nan 0.000 0.435 228 I N 0.562 120.752 120.570 -0.633 0.000 2.686 228 I HA 0.680 4.850 4.170 0.000 0.000 0.295 228 I C -0.917 174.764 176.117 -0.727 0.000 1.114 228 I CA -0.879 59.987 61.300 -0.722 0.000 1.038 228 I CB 2.391 39.703 38.000 -1.146 0.000 1.238 228 I HN 0.544 nan 8.210 nan 0.000 0.420 229 S N 3.624 119.097 115.700 -0.378 0.000 2.548 229 S HA 0.741 5.211 4.470 0.000 0.000 0.286 229 S C -1.507 173.027 174.600 -0.111 0.000 1.098 229 S CA -0.622 57.417 58.200 -0.268 0.000 0.930 229 S CB 2.012 65.099 63.200 -0.188 0.000 1.070 229 S HN 0.531 nan 8.310 nan 0.000 0.480 230 Y N -1.259 118.955 120.300 -0.143 0.000 2.562 230 Y HA 0.858 5.408 4.550 0.000 0.000 0.345 230 Y C -0.942 174.932 175.900 -0.043 0.000 1.045 230 Y CA -0.862 57.213 58.100 -0.041 0.000 1.028 230 Y CB 1.152 39.653 38.460 0.069 0.000 1.297 230 Y HN 0.434 nan 8.280 nan 0.000 0.463 231 T N 2.899 117.573 114.554 0.199 0.000 2.928 231 T HA 0.531 4.881 4.350 0.000 0.000 0.296 231 T C -1.457 173.332 174.700 0.148 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.507 70.343 68.868 -0.054 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.114 124.092 119.914 0.106 0.000 2.398 232 V HA 0.479 4.599 4.120 0.000 0.000 0.286 232 V C -1.128 175.005 176.094 0.064 0.000 1.026 232 V CA -0.762 61.640 62.300 0.169 0.000 0.868 232 V CB 0.836 32.758 31.823 0.166 0.000 0.982 232 V HN 0.807 nan 8.190 nan 0.000 0.443 233 Y N 3.019 123.503 120.300 0.308 0.000 2.352 233 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 233 Y C 0.311 176.408 175.900 0.328 0.000 0.992 233 Y CA -0.324 57.953 58.100 0.295 0.000 1.100 233 Y CB 1.686 40.317 38.460 0.286 0.000 1.192 233 Y HN 0.574 nan 8.280 nan 0.000 0.458 234 Q N 2.136 122.200 119.800 0.440 0.000 2.271 234 Q HA 0.457 4.797 4.340 0.000 0.000 0.258 234 Q C -0.887 175.279 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.284 0.000 0.909 234 Q CB 1.316 30.246 28.738 0.320 0.000 1.253 234 Q HN 0.655 nan 8.270 nan 0.000 0.440 235 S N 4.285 120.053 115.700 0.114 0.000 2.433 235 S HA 0.626 5.096 4.470 0.000 0.000 0.310 235 S C -1.387 173.302 174.600 0.148 0.000 1.097 235 S CA -0.379 57.917 58.200 0.161 0.000 1.103 235 S CB 0.251 63.648 63.200 0.329 0.000 0.992 235 S HN 0.565 nan 8.310 nan 0.000 0.469 236 Y N 2.113 122.423 120.300 0.016 0.000 2.689 236 Y HA 0.720 5.270 4.550 0.000 0.000 0.333 236 Y C -1.860 174.057 175.900 0.028 0.000 1.190 236 Y CA -1.578 56.523 58.100 0.001 0.000 1.063 236 Y CB 0.816 39.274 38.460 -0.003 0.000 1.294 236 Y HN 0.425 nan 8.280 nan 0.000 0.466 237 L N 2.430 123.759 121.223 0.178 0.000 2.313 237 L HA 0.482 4.822 4.340 0.000 0.000 0.283 237 L C -0.852 176.161 176.870 0.238 0.000 1.013 237 L CA -0.566 54.332 54.840 0.097 0.000 0.816 237 L CB 1.448 43.554 42.059 0.079 0.000 1.236 237 L HN 0.686 nan 8.230 nan 0.000 0.419 238 D N 1.915 122.432 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 0.000 0.000 0.250 238 D C -0.365 176.053 176.300 0.198 0.000 1.050 238 D CA 0.002 54.158 54.000 0.260 0.000 1.024 238 D CB 1.397 42.370 40.800 0.289 0.000 1.218 238 D HN 0.369 nan 8.370 nan 0.000 0.566 239 Q N 0.213 120.126 119.800 0.188 0.000 2.460 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.311 239 Q C -0.457 175.633 176.000 0.150 0.000 1.396 239 Q CA 0.371 56.264 55.803 0.150 0.000 0.838 239 Q CB -1.875 26.936 28.738 0.122 0.000 1.140 239 Q HN 0.469 nan 8.270 nan 0.000 0.415 240 L N 2.041 123.394 121.223 0.216 0.000 2.490 240 L HA 0.130 4.470 4.340 0.000 0.000 0.274 240 L C -1.053 175.881 176.870 0.107 0.000 1.201 240 L CA -1.165 53.813 54.840 0.230 0.000 0.869 240 L CB -0.207 42.100 42.059 0.414 0.000 1.123 240 L HN 0.018 nan 8.230 nan 0.000 0.484 241 P HA 0.117 nan 4.420 nan 0.000 0.271 241 P C -0.848 176.371 177.300 -0.136 0.000 1.216 241 P CA -0.152 62.931 63.100 -0.029 0.000 0.771 241 P CB 1.293 32.999 31.700 0.009 0.000 0.864 242 V N 2.659 122.444 119.914 -0.216 0.000 2.628 242 V HA 0.736 4.856 4.120 0.000 0.000 0.306 242 V C 0.909 176.922 176.094 -0.135 0.000 1.045 242 V CA -0.147 61.978 62.300 -0.292 0.000 0.905 242 V CB 1.641 33.216 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.604 110.349 108.800 -0.092 0.000 3.257 243 G HA2 0.558 4.518 3.960 0.000 0.000 0.205 243 G HA3 0.558 4.518 3.960 0.000 0.000 0.205 243 G C 0.568 175.448 174.900 -0.033 0.000 1.234 243 G CA 0.581 45.653 45.100 -0.046 0.000 0.918 243 G HN 0.731 nan 8.290 nan 0.000 0.602 244 Q N -1.432 118.359 119.800 -0.015 0.000 1.942 244 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 244 Q C 2.527 178.528 176.000 0.002 0.000 0.987 244 Q CA 2.711 58.509 55.803 -0.007 0.000 0.844 244 Q CB -1.963 26.774 28.738 -0.002 0.000 0.911 244 Q HN 1.292 nan 8.270 nan 0.000 0.423 245 N N -0.024 118.682 118.700 0.012 0.000 2.573 245 N HA 0.386 5.126 4.740 0.000 0.000 0.187 245 N C 1.401 176.936 175.510 0.041 0.000 1.107 245 N CA 1.573 54.638 53.050 0.025 0.000 0.918 245 N CB -0.176 38.327 38.487 0.028 0.000 0.966 245 N HN 1.558 nan 8.380 nan 0.000 0.448 246 G N -1.687 107.130 108.800 0.029 0.000 2.295 246 G HA2 0.031 3.991 3.960 0.000 0.000 0.195 246 G HA3 0.031 3.991 3.960 0.000 0.000 0.195 246 G C -1.052 173.869 174.900 0.036 0.000 1.269 246 G CA -0.371 44.758 45.100 0.049 0.000 1.170 246 G HN 0.418 nan 8.290 nan 0.000 0.511 247 Y N 0.904 121.214 120.300 0.017 0.000 2.717 247 Y HA 0.392 4.942 4.550 0.000 0.000 0.330 247 Y C 1.505 177.415 175.900 0.017 0.000 1.217 247 Y CA 0.530 58.642 58.100 0.020 0.000 1.506 247 Y CB 0.337 38.811 38.460 0.023 0.000 1.268 247 Y HN 0.369 nan 8.280 nan 0.000 0.561 248 I N 6.184 126.830 120.570 0.126 0.000 2.322 248 I HA 0.181 4.351 4.170 0.000 0.000 0.292 248 I C -0.585 175.592 176.117 0.101 0.000 1.060 248 I CA 0.154 61.503 61.300 0.082 0.000 1.309 248 I CB -0.042 37.982 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.560 129.833 121.223 0.082 0.000 2.401 249 L HA 0.511 4.851 4.340 0.000 0.000 0.266 249 L C -2.454 174.438 176.870 0.036 0.000 0.991 249 L CA -1.873 53.007 54.840 0.066 0.000 0.818 249 L CB 2.556 44.656 42.059 0.069 0.000 1.321 249 L HN 0.345 nan 8.230 nan 0.000 0.413 250 P HA 0.173 nan 4.420 nan 0.000 0.273 250 P C 0.645 177.944 177.300 -0.001 0.000 1.428 250 P CA -0.248 62.855 63.100 0.005 0.000 0.995 250 P CB 0.665 32.363 31.700 -0.003 0.000 1.286 251 L N 2.718 123.941 121.223 0.000 0.000 2.131 251 L HA -0.160 4.180 4.340 0.000 0.000 0.210 251 L C 2.379 179.239 176.870 -0.016 0.000 1.092 251 L CA 1.316 56.155 54.840 -0.002 0.000 0.759 251 L CB -0.553 41.507 42.059 0.002 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.390 120.160 120.570 -0.033 0.000 2.233 252 I HA -0.235 3.935 4.170 0.000 0.000 0.243 252 I C 2.117 178.188 176.117 -0.078 0.000 1.093 252 I CA 1.039 62.304 61.300 -0.057 0.000 1.380 252 I CB -0.426 37.531 38.000 -0.073 0.000 1.067 252 I HN 0.206 nan 8.210 nan 0.000 0.413 253 D N 1.321 121.676 120.400 -0.075 0.000 2.106 253 D HA -0.172 4.468 4.640 0.000 0.000 0.191 253 D C 2.198 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.456 55.406 54.000 -0.082 0.000 0.834 253 D CB -0.397 40.373 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.055 121.273 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 0.000 0.000 0.224 254 L C 1.507 178.394 176.870 0.029 0.000 1.145 254 L CA 0.547 55.400 54.840 0.023 0.000 0.834 254 L CB 0.024 42.098 42.059 0.026 0.000 0.944 254 L HN -0.119 nan 8.230 nan 0.000 0.451 255 S N -1.639 114.062 115.700 0.001 0.000 2.554 255 S HA 0.121 4.591 4.470 0.000 0.000 0.226 255 S C 0.558 175.149 174.600 -0.015 0.000 0.980 255 S CA -0.149 58.052 58.200 0.003 0.000 0.939 255 S CB 0.416 63.613 63.200 -0.004 0.000 0.832 255 S HN 0.229 nan 8.310 nan 0.000 0.486 256 T N 2.495 117.029 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 0.000 0.000 0.281 256 T C -0.465 174.226 174.700 -0.014 0.000 1.007 256 T CA -0.443 61.620 62.100 -0.062 0.000 1.009 256 T CB 1.290 70.050 68.868 -0.180 0.000 0.983 256 T HN 0.091 nan 8.240 nan 0.000 0.455 257 L N 2.965 124.180 121.223 -0.015 0.000 2.295 257 L HA 0.499 4.839 4.340 0.000 0.000 0.285 257 L C -1.001 175.955 176.870 0.143 0.000 1.035 257 L CA -1.120 53.694 54.840 -0.044 0.000 0.806 257 L CB 0.845 42.758 42.059 -0.243 0.000 1.214 257 L HN 0.626 nan 8.230 nan 0.000 0.426 258 Y N 4.042 124.396 120.300 0.091 0.000 2.388 258 Y HA 0.489 5.039 4.550 0.000 0.000 0.328 258 Y C -0.928 174.927 175.900 -0.074 0.000 0.963 258 Y CA -1.129 57.074 58.100 0.171 0.000 1.240 258 Y CB 0.650 39.345 38.460 0.392 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.025 123.276 118.700 -0.748 0.000 2.265 259 N HA 0.539 5.279 4.740 0.000 0.000 0.300 259 N C -1.898 173.097 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.280 40.268 38.487 -0.831 0.000 1.434 259 N HN 0.477 nan 8.380 nan 0.000 0.481 260 L N 0.768 121.697 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 0.000 0.000 0.276 260 L C 0.117 176.984 176.870 -0.005 0.000 1.006 260 L CA -0.187 54.541 54.840 -0.187 0.000 0.817 260 L CB 1.291 43.221 42.059 -0.216 0.000 1.272 260 L HN 0.452 nan 8.230 nan 0.000 0.421 261 E N 1.746 122.081 120.200 0.225 0.000 2.390 261 E HA 0.444 4.794 4.350 0.000 0.000 0.277 261 E C -1.415 175.284 176.600 0.165 0.000 0.939 261 E CA -0.891 55.640 56.400 0.219 0.000 0.769 261 E CB 2.786 32.697 29.700 0.352 0.000 1.251 261 E HN 0.643 nan 8.360 nan 0.000 0.450 262 N N 0.308 119.039 118.700 0.052 0.000 2.381 262 N HA 0.573 5.313 4.740 0.000 0.000 0.294 262 N C -1.143 174.400 175.510 0.054 0.000 1.216 262 N CA -0.620 52.388 53.050 -0.070 0.000 0.803 262 N CB 2.175 40.522 38.487 -0.233 0.000 1.372 262 N HN 0.355 nan 8.380 nan 0.000 0.500 263 S N -1.497 114.234 115.700 0.051 0.000 2.643 263 S HA 0.829 5.299 4.470 0.000 0.000 0.270 263 S C -2.035 172.624 174.600 0.098 0.000 1.166 263 S CA -0.530 57.731 58.200 0.101 0.000 0.815 263 S CB 0.912 64.214 63.200 0.168 0.000 1.139 263 S HN 1.077 nan 8.310 nan 0.000 0.472 264 A N 1.837 124.722 122.820 0.109 0.000 2.414 264 A HA 0.847 5.167 4.320 0.000 0.000 0.306 264 A C -1.459 176.204 177.584 0.132 0.000 1.054 264 A CA -0.580 51.532 52.037 0.127 0.000 0.724 264 A CB 1.695 20.770 19.000 0.125 0.000 1.267 264 A HN 0.651 nan 8.150 nan 0.000 0.418 265 Q N 0.080 119.982 119.800 0.171 0.000 2.359 265 Q HA 0.721 5.061 4.340 0.000 0.000 0.274 265 Q C -0.703 175.455 176.000 0.263 0.000 1.074 265 Q CA -0.602 55.349 55.803 0.246 0.000 0.810 265 Q CB 2.530 31.463 28.738 0.326 0.000 1.342 265 Q HN 1.102 nan 8.270 nan 0.000 0.427 266 A N -0.426 122.555 122.820 0.268 0.000 2.486 266 A HA 0.915 5.235 4.320 0.000 0.000 0.289 266 A C 0.224 177.917 177.584 0.182 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.597 20.629 19.000 0.054 0.000 1.337 266 A HN 1.019 nan 8.150 nan 0.000 0.423 267 G N -0.980 107.816 108.800 -0.008 0.000 2.155 267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 267 G C -0.415 174.478 174.900 -0.012 0.000 1.023 267 G CA -0.068 45.091 45.100 0.100 0.000 0.688 267 G HN 0.776 nan 8.290 nan 0.000 0.499 268 L N 1.449 122.443 121.223 -0.381 0.000 2.371 268 L HA 0.710 5.050 4.340 0.000 0.000 0.272 268 L C 0.566 177.345 176.870 -0.150 0.000 1.124 268 L CA 0.220 54.808 54.840 -0.421 0.000 0.816 268 L CB 1.506 43.184 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.906 116.407 114.554 -0.089 0.000 2.916 269 T HA 0.378 4.728 4.350 0.000 0.000 0.298 269 T C -2.666 172.002 174.700 -0.053 0.000 1.031 269 T CA -1.468 60.604 62.100 -0.047 0.000 0.993 269 T CB 1.869 70.728 68.868 -0.014 0.000 1.045 269 T HN 0.205 nan 8.240 nan 0.000 0.454 270 P HA 0.049 nan 4.420 nan 0.000 0.261 270 P C 0.353 177.626 177.300 -0.046 0.000 1.173 270 P CA 0.481 63.556 63.100 -0.042 0.000 0.760 270 P CB 0.121 31.806 31.700 -0.025 0.000 0.783 271 N N -0.867 117.792 118.700 -0.068 0.000 2.753 271 N HA -0.145 4.595 4.740 0.000 0.000 0.251 271 N C -0.603 174.872 175.510 -0.058 0.000 1.097 271 N CA 0.762 53.773 53.050 -0.065 0.000 0.786 271 N CB -1.665 36.805 38.487 -0.028 0.000 1.137 271 N HN 0.181 nan 8.380 nan 0.000 0.566 272 V N 0.804 120.678 119.914 -0.066 0.000 2.555 272 V HA 0.239 4.359 4.120 0.000 0.000 0.302 272 V C 0.085 176.147 176.094 -0.052 0.000 1.038 272 V CA -0.864 61.414 62.300 -0.036 0.000 0.887 272 V CB 2.191 34.011 31.823 -0.005 0.000 0.991 272 V HN -0.057 nan 8.190 nan 0.000 0.434 273 D N 3.233 123.612 120.400 -0.034 0.000 2.434 273 D HA 0.132 4.772 4.640 0.000 0.000 0.252 273 D C -0.579 175.732 176.300 0.017 0.000 1.185 273 D CA 0.492 54.467 54.000 -0.042 0.000 0.886 273 D CB 0.422 41.220 40.800 -0.003 0.000 1.148 273 D HN 0.344 nan 8.370 nan 0.000 0.483 274 F N 3.627 123.481 119.950 -0.160 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.726 175.015 175.800 -0.098 0.000 1.122 274 F CA -0.793 57.130 58.000 -0.129 0.000 1.090 274 F CB 0.790 39.687 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.892 126.521 119.914 -0.476 0.000 2.417 275 V HA 0.422 4.542 4.120 0.000 0.000 0.291 275 V C -0.580 175.253 176.094 -0.435 0.000 1.024 275 V CA -0.895 61.206 62.300 -0.331 0.000 0.861 275 V CB 1.445 33.152 31.823 -0.193 0.000 0.985 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.306 125.073 119.914 -0.245 0.000 2.328 276 V HA 0.331 4.451 4.120 0.000 0.000 0.278 276 V C 0.151 176.124 176.094 -0.202 0.000 1.021 276 V CA -0.619 61.549 62.300 -0.219 0.000 0.838 276 V CB 1.165 32.926 31.823 -0.103 0.000 0.999 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 Q N 3.256 122.942 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 0.000 0.000 0.260 277 Q C -1.168 174.685 176.000 -0.244 0.000 0.976 277 Q CA -0.063 55.651 55.803 -0.147 0.000 0.881 277 Q CB 0.999 29.677 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.358 120.547 120.300 -0.185 0.000 2.310 278 Y HA 0.378 4.928 4.550 0.000 0.000 0.326 278 Y C 0.515 176.304 175.900 -0.185 0.000 1.151 278 Y CA -0.531 57.350 58.100 -0.365 0.000 1.195 278 Y CB 1.032 39.201 38.460 -0.484 0.000 1.210 278 Y HN 0.670 nan 8.280 nan 0.000 0.483 279 A N 2.688 125.527 122.820 0.032 0.000 2.296 279 A HA 0.366 4.686 4.320 0.000 0.000 0.264 279 A C -0.199 177.368 177.584 -0.028 0.000 1.097 279 A CA -0.767 51.223 52.037 -0.078 0.000 0.811 279 A CB 0.029 18.849 19.000 -0.299 0.000 1.072 279 A HN 0.870 nan 8.150 nan 0.000 0.495 280 N N -1.215 117.398 118.700 -0.145 0.000 2.413 280 N HA 0.460 5.200 4.740 0.000 0.000 0.266 280 N C 0.253 175.666 175.510 -0.162 0.000 1.238 280 N CA -0.038 52.929 53.050 -0.137 0.000 0.972 280 N CB 0.877 39.273 38.487 -0.151 0.000 1.210 280 N HN 1.347 nan 8.380 nan 0.000 0.547 281 L N -3.578 117.614 121.223 -0.052 0.000 3.121 281 L HA -0.223 4.117 4.340 0.000 0.000 0.404 281 L C -1.056 176.093 176.870 0.465 0.000 0.695 281 L CA 1.670 56.625 54.840 0.191 0.000 3.096 281 L CB -1.592 40.504 42.059 0.063 0.000 0.683 281 L HN 0.633 nan 8.230 nan 0.000 0.743 282 Y N 2.153 122.471 120.300 0.030 0.000 2.309 282 Y HA 0.546 5.096 4.550 0.000 0.000 0.327 282 Y C 1.064 176.973 175.900 0.014 0.000 1.172 282 Y CA -0.595 57.382 58.100 -0.204 0.000 1.280 282 Y CB 0.408 38.273 38.460 -0.990 0.000 1.234 282 Y HN 0.181 nan 8.280 nan 0.000 0.512 283 R N 3.677 124.274 120.500 0.162 0.000 2.233 283 R HA 0.241 4.581 4.340 0.000 0.000 0.334 283 R C -1.481 174.898 176.300 0.133 0.000 1.037 283 R CA -0.580 55.620 56.100 0.165 0.000 0.920 283 R CB 0.193 30.526 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.161 123.589 120.300 0.213 0.000 2.486 284 Y HA 0.041 4.591 4.550 0.000 0.000 0.348 284 Y C 1.453 177.435 175.900 0.136 0.000 1.000 284 Y CA -0.235 58.006 58.100 0.235 0.000 1.253 284 Y CB 0.640 39.258 38.460 0.264 0.000 1.140 284 Y HN 0.453 nan 8.280 nan 0.000 0.526 285 L N 1.905 123.266 121.223 0.229 0.000 2.209 285 L HA 0.032 4.372 4.340 0.000 0.000 0.207 285 L C 0.765 177.759 176.870 0.207 0.000 1.094 285 L CA 0.601 55.516 54.840 0.125 0.000 0.790 285 L CB -0.119 41.932 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.984 113.899 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 0.000 0.000 0.270 286 S C -0.613 174.187 174.600 0.333 0.000 1.149 286 S CA -0.680 57.670 58.200 0.250 0.000 0.837 286 S CB 2.374 65.771 63.200 0.329 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 1.956 116.617 114.554 0.179 0.000 2.881 287 T HA 0.608 4.958 4.350 0.000 0.000 0.290 287 T C -0.948 173.738 174.700 -0.024 0.000 1.000 287 T CA -0.415 61.742 62.100 0.095 0.000 0.978 287 T CB 0.885 69.854 68.868 0.169 0.000 0.997 287 T HN 0.659 nan 8.240 nan 0.000 0.443 288 I N 2.291 122.778 120.570 -0.139 0.000 2.465 288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 288 I C -0.351 175.632 176.117 -0.223 0.000 1.014 288 I CA -0.967 60.301 61.300 -0.052 0.000 1.093 288 I CB 1.738 39.809 38.000 0.118 0.000 1.267 288 I HN 0.726 nan 8.210 nan 0.000 0.431 289 A N 6.365 129.111 122.820 -0.122 0.000 2.335 289 A HA 0.748 5.068 4.320 0.000 0.000 0.304 289 A C -1.083 176.607 177.584 0.176 0.000 1.118 289 A CA -0.476 51.503 52.037 -0.097 0.000 0.757 289 A CB 1.381 20.210 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.346 123.390 119.914 0.218 0.000 2.370 290 V HA 0.305 4.425 4.120 0.000 0.000 0.283 290 V C -0.654 175.656 176.094 0.361 0.000 1.023 290 V CA -0.381 62.095 62.300 0.293 0.000 0.857 290 V CB 1.170 33.132 31.823 0.233 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.325 125.394 119.950 0.198 0.000 2.451 291 F HA 0.361 4.888 4.527 0.000 0.000 0.356 291 F C 0.468 176.174 175.800 -0.156 0.000 1.178 291 F CA -1.823 56.205 58.000 0.046 0.000 1.210 291 F CB 0.142 39.186 39.000 0.073 0.000 1.504 291 F HN 0.604 nan 8.300 nan 0.000 0.598 292 D N 4.108 124.509 120.400 0.003 0.000 2.435 292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 292 D C -0.062 175.913 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.516 0.000 0.947 292 D CB -0.319 40.423 40.800 -0.097 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.854 120.979 118.700 -0.958 0.000 3.178 293 N HA 0.199 4.939 4.740 0.000 0.000 0.300 293 N C 0.737 175.946 175.510 -0.501 0.000 1.242 293 N CA 0.449 52.983 53.050 -0.860 0.000 1.192 293 N CB -0.467 37.307 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.812 109.415 108.800 -0.328 0.000 2.295 294 G HA2 -0.208 3.752 3.960 0.000 0.000 0.287 294 G HA3 -0.208 3.752 3.960 0.000 0.000 0.287 294 G C 0.964 175.735 174.900 -0.215 0.000 1.055 294 G CA 0.505 45.479 45.100 -0.210 0.000 0.922 294 G HN 1.095 nan 8.290 nan 0.000 0.503 295 G N -2.329 106.299 108.800 -0.285 0.000 2.195 295 G HA2 -0.055 3.905 3.960 0.000 0.000 0.246 295 G HA3 -0.055 3.905 3.960 0.000 0.000 0.246 295 G C 0.463 175.230 174.900 -0.221 0.000 0.984 295 G CA 0.695 45.694 45.100 -0.168 0.000 0.633 295 G HN 1.746 nan 8.290 nan 0.000 0.525 296 S N 0.072 115.510 115.700 -0.437 0.000 2.489 296 S HA 0.768 5.238 4.470 0.000 0.000 0.291 296 S C -0.820 173.374 174.600 -0.677 0.000 1.151 296 S CA -0.333 57.659 58.200 -0.347 0.000 1.082 296 S CB 0.906 63.940 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.976 122.824 119.950 -0.170 0.000 2.445 297 F HA 0.438 4.965 4.527 0.000 0.000 0.348 297 F C 0.460 176.202 175.800 -0.097 0.000 1.125 297 F CA -0.852 57.058 58.000 -0.151 0.000 0.983 297 F CB 1.159 40.072 39.000 -0.146 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.427 120.129 118.700 0.002 0.000 2.430 298 N HA 0.512 5.252 4.740 0.000 0.000 0.298 298 N C -0.454 175.126 175.510 0.118 0.000 1.130 298 N CA -0.701 52.371 53.050 0.038 0.000 0.894 298 N CB 2.174 40.649 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.495 123.379 122.820 0.108 0.000 3.063 299 A HA 0.471 4.791 4.320 0.000 0.000 0.263 299 A C 1.327 179.022 177.584 0.186 0.000 1.736 299 A CA 0.278 52.396 52.037 0.136 0.000 1.408 299 A CB -1.396 17.663 19.000 0.097 0.000 1.108 299 A HN 0.907 nan 8.150 nan 0.000 0.621 300 G N 1.027 110.001 108.800 0.290 0.000 2.257 300 G HA2 -0.414 3.546 3.960 0.000 0.000 0.267 300 G HA3 -0.414 3.546 3.960 0.000 0.000 0.267 300 G C 1.286 176.274 174.900 0.147 0.000 0.984 300 G CA 1.564 46.828 45.100 0.272 0.000 0.626 300 G HN 1.505 nan 8.290 nan 0.000 0.540 301 T N -0.719 113.902 114.554 0.112 0.000 3.051 301 T HA 0.072 4.422 4.350 0.000 0.000 0.269 301 T C 1.488 176.220 174.700 0.053 0.000 1.127 301 T CA 1.797 63.938 62.100 0.068 0.000 1.107 301 T CB -0.187 68.710 68.868 0.047 0.000 0.898 301 T HN 0.613 nan 8.240 nan 0.000 0.517 302 D N 0.364 120.808 120.400 0.073 0.000 2.368 302 D HA 0.231 4.872 4.640 0.000 0.000 0.218 302 D C 0.204 176.590 176.300 0.144 0.000 1.112 302 D CA -0.489 53.561 54.000 0.084 0.000 0.834 302 D CB -0.248 40.563 40.800 0.018 0.000 0.953 302 D HN 0.470 nan 8.370 nan 0.000 0.505 303 I N 0.450 121.059 120.570 0.065 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.628 176.694 176.117 -0.085 0.000 1.040 303 I CA -0.875 60.388 61.300 -0.061 0.000 1.068 303 I CB 2.143 40.039 38.000 -0.173 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.710 122.311 118.700 -0.165 0.000 2.197 304 N HA 0.012 4.752 4.740 0.000 0.000 0.184 304 N C -0.588 174.922 175.510 0.000 0.000 1.030 304 N CA 1.388 54.384 53.050 -0.089 0.000 0.851 304 N CB 0.275 38.667 38.487 -0.157 0.000 1.003 304 N HN 0.631 nan 8.380 nan 0.000 0.430 305 Y N -1.920 118.297 120.300 -0.138 0.000 2.713 305 Y HA 0.634 5.184 4.550 0.000 0.000 0.335 305 Y C -1.763 173.954 175.900 -0.306 0.000 1.222 305 Y CA -1.430 56.570 58.100 -0.167 0.000 1.061 305 Y CB 0.485 38.889 38.460 -0.093 0.000 1.314 305 Y HN -0.275 nan 8.280 nan 0.000 0.453 306 L N 1.702 122.834 121.223 -0.152 0.000 2.333 306 L HA 0.928 5.268 4.340 0.000 0.000 0.263 306 L C -0.095 176.628 176.870 -0.246 0.000 1.014 306 L CA -0.555 53.952 54.840 -0.554 0.000 0.820 306 L CB 2.200 43.422 42.059 -1.395 0.000 1.352 306 L HN 0.898 nan 8.230 nan 0.000 0.421 307 S N -0.166 115.304 115.700 -0.384 0.000 2.636 307 S HA 0.568 5.038 4.470 0.000 0.000 0.266 307 S C -2.095 172.389 174.600 -0.194 0.000 1.147 307 S CA -0.634 57.537 58.200 -0.049 0.000 0.815 307 S CB 1.542 64.751 63.200 0.016 0.000 1.119 307 S HN 0.579 nan 8.310 nan 0.000 0.470 308 Q N 1.157 120.958 119.800 0.002 0.000 2.321 308 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 308 Q C -0.995 175.019 176.000 0.024 0.000 1.032 308 Q CA -0.596 55.234 55.803 0.046 0.000 0.784 308 Q CB 2.336 31.155 28.738 0.136 0.000 1.264 308 Q HN 0.557 nan 8.270 nan 0.000 0.448 309 R N 1.248 121.768 120.500 0.033 0.000 2.686 309 R HA 0.571 4.911 4.340 0.000 0.000 0.283 309 R C -1.293 175.017 176.300 0.017 0.000 0.978 309 R CA -0.305 55.799 56.100 0.008 0.000 0.897 309 R CB 1.960 32.258 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.251 116.799 114.554 -0.009 0.000 2.794 310 T HA 0.421 4.771 4.350 0.000 0.000 0.280 310 T C -0.288 174.409 174.700 -0.005 0.000 0.987 310 T CA -0.456 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.521 70.372 68.868 -0.028 0.000 0.939 310 T HN 0.696 nan 8.240 nan 0.000 0.449 311 A N 2.981 125.803 122.820 0.004 0.000 2.545 311 A HA 0.474 4.794 4.320 0.000 0.000 0.253 311 A C 1.330 178.912 177.584 -0.004 0.000 1.074 311 A CA 0.564 52.599 52.037 -0.003 0.000 0.760 311 A CB -1.629 17.369 19.000 -0.003 0.000 1.005 311 A HN 1.836 nan 8.150 nan 0.000 0.506 312 N N -1.079 117.615 118.700 -0.009 0.000 2.818 312 N HA 0.108 4.848 4.740 0.000 0.000 0.250 312 N C 0.439 175.941 175.510 -0.013 0.000 1.108 312 N CA 2.241 55.285 53.050 -0.009 0.000 0.745 312 N CB -2.248 36.237 38.487 -0.004 0.000 1.104 312 N HN 2.377 nan 8.380 nan 0.000 0.557 313 F N -1.648 118.288 119.950 -0.023 0.000 3.087 313 F HA 0.803 5.330 4.527 0.000 0.000 0.371 313 F C 1.466 177.237 175.800 -0.049 0.000 1.144 313 F CA 1.325 59.302 58.000 -0.038 0.000 1.030 313 F CB -0.439 38.530 39.000 -0.051 0.000 1.366 313 F HN 1.793 nan 8.300 nan 0.000 0.522 314 S N 0.106 115.783 115.700 -0.038 0.000 3.307 314 S HA -0.183 4.287 4.470 0.000 0.000 0.634 314 S C -0.546 174.026 174.600 -0.046 0.000 2.711 314 S CA 0.840 59.015 58.200 -0.041 0.000 2.940 314 S CB -1.277 61.895 63.200 -0.046 0.000 0.331 314 S HN 0.780 nan 8.310 nan 0.000 1.766 315 D N 1.309 121.678 120.400 -0.051 0.000 2.308 315 D HA 0.330 4.970 4.640 0.000 0.000 0.251 315 D C 1.216 177.485 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.595 54.000 -0.048 0.000 0.876 315 D CB 1.251 42.013 40.800 -0.063 0.000 1.176 315 D HN 0.710 nan 8.370 nan 0.000 0.446 316 T N -0.715 113.813 114.554 -0.043 0.000 3.044 316 T HA 0.036 4.386 4.350 0.000 0.000 0.250 316 T C 0.945 175.626 174.700 -0.033 0.000 1.081 316 T CA -0.260 61.808 62.100 -0.053 0.000 1.040 316 T CB 0.179 69.004 68.868 -0.071 0.000 0.962 316 T HN 0.602 nan 8.240 nan 0.000 0.506 317 R N 0.296 120.795 120.500 -0.002 0.000 2.747 317 R HA 0.305 4.645 4.340 0.000 0.000 0.200 317 R C -0.913 175.453 176.300 0.109 0.000 1.438 317 R CA -0.657 55.459 56.100 0.027 0.000 1.334 317 R CB -0.333 29.961 30.300 -0.009 0.000 1.523 317 R HN 0.088 nan 8.270 nan 0.000 0.741 318 K N 2.950 123.368 120.400 0.030 0.000 2.310 318 K HA 0.320 4.640 4.320 0.000 0.000 0.290 318 K C -0.972 175.647 176.600 0.032 0.000 1.077 318 K CA -0.161 56.121 56.287 -0.008 0.000 0.922 318 K CB 0.524 32.906 32.500 -0.196 0.000 1.057 318 K HN 0.451 nan 8.250 nan 0.000 0.479 319 L N 3.359 124.689 121.223 0.178 0.000 2.388 319 L HA 0.330 4.670 4.340 0.000 0.000 0.264 319 L C -0.442 176.560 176.870 0.221 0.000 0.998 319 L CA -1.364 53.601 54.840 0.208 0.000 0.817 319 L CB 2.065 44.322 42.059 0.329 0.000 1.338 319 L HN 0.755 nan 8.230 nan 0.000 0.414 320 D N 0.592 121.095 120.400 0.171 0.000 2.368 320 D HA 0.130 4.770 4.640 0.000 0.000 0.240 320 D C -2.114 174.299 176.300 0.190 0.000 1.169 320 D CA -1.140 52.955 54.000 0.158 0.000 0.906 320 D CB 0.629 41.502 40.800 0.120 0.000 1.187 320 D HN 0.193 nan 8.370 nan 0.000 0.435 321 P HA -0.218 nan 4.420 nan 0.000 0.216 321 P C 1.168 178.644 177.300 0.293 0.000 1.153 321 P CA 1.517 64.726 63.100 0.182 0.000 0.858 321 P CB 0.076 31.852 31.700 0.127 0.000 0.789 322 K N -0.945 119.585 120.400 0.218 0.000 2.097 322 K HA -0.090 4.230 4.320 0.000 0.000 0.205 322 K C 1.741 178.465 176.600 0.208 0.000 1.050 322 K CA 1.651 58.059 56.287 0.201 0.000 0.938 322 K CB -0.429 32.154 32.500 0.139 0.000 0.718 322 K HN 0.057 nan 8.250 nan 0.000 0.442 323 T N 0.455 115.130 114.554 0.201 0.000 2.904 323 T HA -0.147 4.203 4.350 0.000 0.000 0.267 323 T C 1.143 175.977 174.700 0.222 0.000 1.059 323 T CA 0.815 63.018 62.100 0.171 0.000 1.137 323 T CB -0.205 68.744 68.868 0.136 0.000 0.879 323 T HN 0.445 nan 8.240 nan 0.000 0.467 324 W N 2.177 123.548 121.300 0.119 0.000 2.358 324 W HA -0.073 4.587 4.660 0.000 0.000 0.303 324 W C 2.448 179.087 176.519 0.200 0.000 1.208 324 W CA 1.246 58.683 57.345 0.153 0.000 1.274 324 W CB -0.570 28.990 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.882 123.995 122.820 0.489 0.000 1.972 325 A HA -0.062 4.258 4.320 0.000 0.000 0.219 325 A C 2.179 179.883 177.584 0.199 0.000 1.169 325 A CA 2.496 54.753 52.037 0.367 0.000 0.635 325 A CB -1.200 17.991 19.000 0.318 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.838 122.074 122.820 0.152 0.000 1.902 326 A HA -0.199 4.121 4.320 0.000 0.000 0.217 326 A C 2.115 179.731 177.584 0.054 0.000 1.181 326 A CA 1.606 53.696 52.037 0.088 0.000 0.623 326 A CB -0.480 18.564 19.000 0.074 0.000 0.818 326 A HN 0.533 nan 8.150 nan 0.000 0.443 327 Q N -0.632 119.177 119.800 0.016 0.000 2.124 327 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 327 Q C 2.145 178.162 176.000 0.028 0.000 0.977 327 Q CA 1.994 57.777 55.803 -0.034 0.000 0.850 327 Q CB -0.916 27.718 28.738 -0.174 0.000 0.901 327 Q HN 0.655 nan 8.270 nan 0.000 0.429 328 T N 1.007 115.614 114.554 0.089 0.000 2.821 328 T HA -0.072 4.278 4.350 0.000 0.000 0.267 328 T C 1.804 176.568 174.700 0.105 0.000 1.046 328 T CA 0.739 62.965 62.100 0.210 0.000 1.139 328 T CB -0.061 69.026 68.868 0.365 0.000 0.871 328 T HN 0.255 nan 8.240 nan 0.000 0.454 329 R N 0.729 121.270 120.500 0.068 0.000 2.159 329 R HA 0.018 4.358 4.340 0.000 0.000 0.237 329 R C 2.455 178.760 176.300 0.008 0.000 1.131 329 R CA 0.784 56.894 56.100 0.018 0.000 0.982 329 R CB -0.080 30.235 30.300 0.025 0.000 0.868 329 R HN 0.232 nan 8.270 nan 0.000 0.453 330 R N 0.172 120.687 120.500 0.026 0.000 2.189 330 R HA 0.007 4.347 4.340 0.000 0.000 0.218 330 R C 1.871 178.187 176.300 0.027 0.000 1.074 330 R CA 0.752 56.864 56.100 0.021 0.000 0.991 330 R CB 0.011 30.325 30.300 0.023 0.000 0.883 330 R HN 0.171 nan 8.270 nan 0.000 0.457 331 R N 0.428 120.958 120.500 0.049 0.000 2.146 331 R HA 0.151 4.491 4.340 0.000 0.000 0.206 331 R C 2.033 178.319 176.300 -0.022 0.000 1.049 331 R CA 0.769 56.906 56.100 0.062 0.000 1.029 331 R CB 0.019 30.436 30.300 0.195 0.000 0.949 331 R HN 0.319 nan 8.270 nan 0.000 0.471 332 I N -3.945 116.570 120.570 -0.092 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.478 176.502 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.284 61.300 -0.182 0.000 1.124 332 I CB 0.881 38.638 38.000 -0.406 0.000 1.129 332 I HN -0.038 nan 8.210 nan 0.000 0.428 333 A N 0.254 123.016 122.820 -0.096 0.000 2.861 333 A HA -0.215 4.106 4.320 0.000 0.000 0.261 333 A C 0.639 178.174 177.584 -0.082 0.000 1.351 333 A CA 1.679 53.672 52.037 -0.074 0.000 0.904 333 A CB -2.303 16.657 19.000 -0.067 0.000 1.076 333 A HN 0.814 nan 8.150 nan 0.000 0.729 334 T N -1.862 112.624 114.554 -0.113 0.000 2.654 334 T HA 0.491 4.841 4.350 0.000 0.000 0.303 334 T C -2.140 172.479 174.700 -0.136 0.000 1.656 334 T CA 0.129 62.165 62.100 -0.106 0.000 0.971 334 T CB 0.918 69.715 68.868 -0.118 0.000 1.811 334 T HN 0.286 nan 8.240 nan 0.000 0.483 335 D N 0.623 120.962 120.400 -0.101 0.000 2.181 335 D HA 0.529 5.169 4.640 0.000 0.000 0.248 335 D C -0.251 175.960 176.300 -0.148 0.000 1.020 335 D CA -0.114 53.848 54.000 -0.064 0.000 0.891 335 D CB 0.763 41.575 40.800 0.020 0.000 1.187 335 D HN 0.288 nan 8.370 nan 0.000 0.443 336 F N 0.727 120.608 119.950 -0.115 0.000 2.435 336 F HA 0.226 4.753 4.527 0.000 0.000 0.316 336 F C -1.333 174.360 175.800 -0.179 0.000 1.220 336 F CA -1.321 56.534 58.000 -0.243 0.000 1.241 336 F CB -0.216 38.534 39.000 -0.417 0.000 1.234 336 F HN 0.084 nan 8.300 nan 0.000 0.569 337 P HA 0.003 nan 4.420 nan 0.000 0.271 337 P C -1.111 176.215 177.300 0.044 0.000 1.238 337 P CA -0.291 62.867 63.100 0.096 0.000 0.794 337 P CB 0.311 32.163 31.700 0.252 0.000 0.959 338 K N 1.015 121.450 120.400 0.058 0.000 2.511 338 K HA 0.148 4.468 4.320 0.000 0.000 0.280 338 K C 1.270 177.929 176.600 0.097 0.000 1.008 338 K CA 1.233 57.556 56.287 0.060 0.000 1.050 338 K CB -0.731 31.826 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.194 110.003 108.800 0.015 0.000 2.179 339 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 339 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 339 G C 0.009 174.862 174.900 -0.078 0.000 0.977 339 G CA 0.042 45.216 45.100 0.123 0.000 0.641 339 G HN 0.427 nan 8.290 nan 0.000 0.533 340 V N 1.060 120.757 119.914 -0.361 0.000 2.350 340 V HA 0.642 4.762 4.120 0.000 0.000 0.276 340 V C -0.320 175.416 176.094 -0.597 0.000 1.028 340 V CA -0.802 61.294 62.300 -0.341 0.000 0.860 340 V CB 0.796 32.397 31.823 -0.371 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.300 124.651 120.300 0.084 0.000 2.364 341 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 341 Y C -0.470 175.624 175.900 0.325 0.000 0.975 341 Y CA -0.826 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.695 40.247 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.391 122.988 120.300 0.496 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.137 175.051 175.900 0.481 0.000 1.021 342 Y CA -1.805 56.486 58.100 0.319 0.000 1.079 342 Y CB 1.700 40.264 38.460 0.173 0.000 1.226 342 Y HN 0.805 nan 8.280 nan 0.000 0.460 343 C N 6.564 125.597 119.300 -0.444 0.000 2.516 343 C HA 0.373 4.833 4.460 0.000 0.000 0.338 343 C C -1.381 173.204 174.990 -0.675 0.000 1.132 343 C CA -0.690 58.120 59.018 -0.347 0.000 1.310 343 C CB 0.007 27.933 27.740 0.310 0.000 1.898 343 C HN 0.890 nan 8.230 nan 0.000 0.452 344 D N 3.957 124.044 120.400 -0.521 0.000 2.274 344 D HA 0.326 4.966 4.640 0.000 0.000 0.239 344 D C 0.040 176.305 176.300 -0.058 0.000 1.104 344 D CA 0.233 54.102 54.000 -0.217 0.000 0.840 344 D CB 0.803 41.615 40.800 0.021 0.000 1.100 344 D HN 0.711 nan 8.370 nan 0.000 0.477 345 N N 3.382 122.093 118.700 0.020 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.068 176.617 175.510 0.065 0.000 1.410 345 N CA -0.149 52.929 53.050 0.046 0.000 0.884 345 N CB 0.710 39.236 38.487 0.066 0.000 1.332 345 N HN 0.361 nan 8.380 nan 0.000 0.498 346 R N 0.483 121.028 120.500 0.076 0.000 2.081 346 R HA -0.041 4.299 4.340 0.000 0.000 0.235 346 R C 0.763 177.089 176.300 0.043 0.000 1.131 346 R CA 1.134 57.274 56.100 0.068 0.000 0.960 346 R CB 0.090 30.464 30.300 0.124 0.000 0.856 346 R HN 0.111 nan 8.270 nan 0.000 0.436 347 D N 0.428 120.858 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.192 176.519 176.300 0.045 0.000 0.965 347 D CA 1.263 55.288 54.000 0.042 0.000 0.852 347 D CB 0.233 41.057 40.800 0.041 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.793 121.227 120.400 0.056 0.000 2.814 348 K HA 0.288 4.608 4.320 0.000 0.000 0.205 348 K C -2.769 173.886 176.600 0.091 0.000 1.093 348 K CA -1.437 54.897 56.287 0.078 0.000 1.035 348 K CB 2.536 35.093 32.500 0.094 0.000 1.220 348 K HN -0.134 nan 8.250 nan 0.000 0.576 349 P HA -0.026 nan 4.420 nan 0.000 0.266 349 P C -0.091 177.307 177.300 0.163 0.000 1.195 349 P CA -0.204 62.965 63.100 0.114 0.000 0.768 349 P CB 0.450 32.205 31.700 0.090 0.000 0.838 350 I N 3.829 124.483 120.570 0.140 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.026 176.266 176.117 0.293 0.000 1.134 350 I CA 0.400 61.742 61.300 0.070 0.000 1.410 350 I CB -1.177 36.605 38.000 -0.362 0.000 1.392 350 I HN 0.423 nan 8.210 nan 0.000 0.545 351 Y N 5.948 126.306 120.300 0.097 0.000 2.317 351 Y HA 0.125 4.675 4.550 0.000 0.000 0.329 351 Y C 1.256 177.192 175.900 0.060 0.000 1.101 351 Y CA -0.960 57.201 58.100 0.101 0.000 1.228 351 Y CB 1.242 39.742 38.460 0.067 0.000 1.123 351 Y HN 0.737 nan 8.280 nan 0.000 0.457 352 T N -0.073 114.362 114.554 -0.199 0.000 2.778 352 T HA -0.234 4.116 4.350 0.000 0.000 0.269 352 T C 1.777 176.270 174.700 -0.345 0.000 1.050 352 T CA 1.864 63.840 62.100 -0.206 0.000 1.137 352 T CB -0.765 68.019 68.868 -0.140 0.000 0.860 352 T HN 0.708 nan 8.240 nan 0.000 0.468 353 L N 0.356 121.134 121.223 -0.741 0.000 2.713 353 L HA 0.489 4.829 4.340 0.000 0.000 0.245 353 L C 2.207 178.871 176.870 -0.343 0.000 1.169 353 L CA 1.346 55.853 54.840 -0.555 0.000 0.962 353 L CB -1.692 39.968 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.339 117.285 119.800 -0.293 0.000 2.519 354 Q HA 0.115 4.455 4.340 0.000 0.000 0.248 354 Q C 0.081 175.804 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.860 55.803 -0.314 0.000 0.979 354 Q CB 0.968 29.566 28.738 -0.234 0.000 1.282 354 Q HN 0.662 nan 8.270 nan 0.000 0.558 355 Y N 0.264 120.548 120.300 -0.026 0.000 2.712 355 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 355 Y C 0.499 176.377 175.900 -0.036 0.000 1.101 355 Y CA 0.022 58.110 58.100 -0.020 0.000 1.118 355 Y CB 1.213 39.669 38.460 -0.005 0.000 1.203 355 Y HN 0.334 nan 8.280 nan 0.000 0.587 356 G N 1.191 110.020 108.800 0.049 0.000 2.726 356 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 356 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 356 G C -0.047 174.864 174.900 0.018 0.000 1.352 356 G CA -0.289 44.818 45.100 0.012 0.000 0.906 356 G HN 0.554 nan 8.290 nan 0.000 0.566 357 N N -0.485 118.218 118.700 0.005 0.000 2.256 357 N HA 0.205 4.945 4.740 0.000 0.000 0.277 357 N C -0.043 175.491 175.510 0.039 0.000 1.362 357 N CA 0.140 53.198 53.050 0.012 0.000 0.861 357 N CB 0.384 38.870 38.487 -0.001 0.000 1.136 357 N HN 0.509 nan 8.380 nan 0.000 0.492 358 V N 1.206 121.164 119.914 0.073 0.000 2.628 358 V HA 0.740 4.860 4.120 0.000 0.000 0.306 358 V C 0.715 176.968 176.094 0.266 0.000 1.045 358 V CA -0.752 61.617 62.300 0.116 0.000 0.905 358 V CB 1.931 33.775 31.823 0.035 0.000 0.997 358 V HN 0.734 nan 8.190 nan 0.000 0.436 359 G N 1.806 110.750 108.800 0.241 0.000 2.574 359 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 359 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 359 G C -1.853 173.212 174.900 0.276 0.000 1.298 359 G CA -0.611 44.617 45.100 0.212 0.000 0.952 359 G HN 0.476 nan 8.290 nan 0.000 0.477 360 F N 1.777 121.746 119.950 0.031 0.000 2.408 360 F HA 0.644 5.171 4.527 0.000 0.000 0.344 360 F C -0.261 175.521 175.800 -0.029 0.000 1.112 360 F CA -0.513 57.527 58.000 0.066 0.000 1.096 360 F CB 1.704 40.683 39.000 -0.036 0.000 1.129 360 F HN 0.274 nan 8.300 nan 0.000 0.486 361 V N 6.501 126.102 119.914 -0.522 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.860 174.990 176.094 -0.407 0.000 1.038 361 V CA -0.876 61.239 62.300 -0.308 0.000 0.887 361 V CB 1.652 33.377 31.823 -0.163 0.000 0.991 361 V HN 0.564 nan 8.190 nan 0.000 0.434 362 V N 3.947 123.729 119.914 -0.219 0.000 2.482 362 V HA 0.439 4.559 4.120 0.000 0.000 0.295 362 V C -0.365 175.512 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.332 0.000 0.856 362 V CB 1.933 33.586 31.823 -0.284 0.000 1.001 362 V HN 0.893 nan 8.190 nan 0.000 0.424 363 N N 7.145 125.486 118.700 -0.598 0.000 2.546 363 N HA 0.366 5.106 4.740 0.000 0.000 0.238 363 N C -2.721 172.494 175.510 -0.491 0.000 0.984 363 N CA -1.612 51.071 53.050 -0.613 0.000 0.935 363 N CB 2.463 40.269 38.487 -1.135 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.147 nan 4.420 nan 0.000 0.279 364 P C 0.131 177.359 177.300 -0.121 0.000 1.239 364 P CA -0.179 62.782 63.100 -0.231 0.000 0.789 364 P CB 2.070 33.629 31.700 -0.235 0.000 0.933 365 K N 1.469 121.843 120.400 -0.044 0.000 2.202 365 K HA 0.092 4.412 4.320 0.000 0.000 0.201 365 K C -0.008 176.592 176.600 -0.001 0.000 1.051 365 K CA 0.912 57.184 56.287 -0.025 0.000 0.977 365 K CB 0.311 32.806 32.500 -0.008 0.000 0.792 365 K HN 0.416 nan 8.250 nan 0.000 0.469 366 T N 0.913 115.488 114.554 0.035 0.000 2.881 366 T HA 0.415 4.765 4.350 0.000 0.000 0.290 366 T C -1.458 173.274 174.700 0.054 0.000 1.000 366 T CA -0.682 61.429 62.100 0.018 0.000 0.978 366 T CB 2.221 71.081 68.868 -0.013 0.000 0.997 366 T HN -0.181 nan 8.240 nan 0.000 0.443 367 V N 4.589 124.513 119.914 0.017 0.000 2.409 367 V HA 0.422 4.542 4.120 0.000 0.000 0.290 367 V C -0.227 175.844 176.094 -0.038 0.000 1.017 367 V CA -1.114 61.202 62.300 0.027 0.000 0.841 367 V CB 1.482 33.314 31.823 0.016 0.000 1.003 367 V HN 0.764 nan 8.190 nan 0.000 0.426 368 N N 2.368 121.015 118.700 -0.088 0.000 2.413 368 N HA 0.249 4.989 4.740 0.000 0.000 0.266 368 N C -0.013 175.450 175.510 -0.078 0.000 1.238 368 N CA -0.514 52.477 53.050 -0.098 0.000 0.972 368 N CB 0.735 39.132 38.487 -0.149 0.000 1.210 368 N HN 0.771 nan 8.380 nan 0.000 0.547 369 Q N 0.526 120.286 119.800 -0.068 0.000 2.364 369 Q HA 0.009 4.349 4.340 0.000 0.000 0.267 369 Q C -0.495 175.470 176.000 -0.058 0.000 0.999 369 Q CA 0.076 55.849 55.803 -0.051 0.000 0.886 369 Q CB 0.199 28.914 28.738 -0.039 0.000 1.243 369 Q HN 0.438 nan 8.270 nan 0.000 0.415 370 N N 0.221 118.895 118.700 -0.043 0.000 2.776 370 N HA -0.187 4.553 4.740 0.000 0.000 0.249 370 N C -1.236 174.243 175.510 -0.051 0.000 1.111 370 N CA 0.942 53.969 53.050 -0.037 0.000 0.711 370 N CB -1.671 36.796 38.487 -0.032 0.000 1.065 370 N HN 0.632 nan 8.380 nan 0.000 0.556 371 A N 0.805 123.592 122.820 -0.054 0.000 2.371 371 A HA 0.672 4.992 4.320 0.000 0.000 0.257 371 A C 0.879 178.453 177.584 -0.016 0.000 1.089 371 A CA 0.219 52.236 52.037 -0.032 0.000 0.794 371 A CB 0.628 19.646 19.000 0.029 0.000 1.029 371 A HN 0.472 nan 8.150 nan 0.000 0.488 372 R N 0.652 121.176 120.500 0.040 0.000 2.728 372 R HA 0.595 4.935 4.340 0.000 0.000 0.274 372 R C -2.136 174.221 176.300 0.095 0.000 1.032 372 R CA -0.934 55.173 56.100 0.012 0.000 0.866 372 R CB 0.811 31.140 30.300 0.047 0.000 1.263 372 R HN 0.452 nan 8.270 nan 0.000 0.475 373 L N 2.465 123.728 121.223 0.067 0.000 2.296 373 L HA 0.490 4.830 4.340 0.000 0.000 0.286 373 L C -0.691 176.275 176.870 0.160 0.000 1.023 373 L CA -1.053 53.861 54.840 0.123 0.000 0.812 373 L CB 1.676 43.806 42.059 0.119 0.000 1.223 373 L HN 0.442 nan 8.230 nan 0.000 0.421 374 L N 4.731 126.077 121.223 0.204 0.000 2.262 374 L HA 0.430 4.770 4.340 0.000 0.000 0.288 374 L C -0.124 176.846 176.870 0.166 0.000 1.035 374 L CA -0.284 54.710 54.840 0.256 0.000 0.820 374 L CB 1.148 43.480 42.059 0.454 0.000 1.204 374 L HN 0.484 nan 8.230 nan 0.000 0.424 375 M N 2.442 122.039 119.600 -0.004 0.000 2.367 375 M HA 0.545 5.025 4.480 0.000 0.000 0.339 375 M C 0.360 176.366 176.300 -0.490 0.000 1.177 375 M CA -0.386 54.731 55.300 -0.305 0.000 1.068 375 M CB 1.461 33.835 32.600 -0.378 0.000 1.602 375 M HN 0.568 nan 8.290 nan 0.000 0.457 376 G N 2.531 110.860 108.800 -0.785 0.000 2.643 376 G HA2 0.689 4.649 3.960 0.000 0.000 0.305 376 G HA3 0.689 4.649 3.960 0.000 0.000 0.305 376 G C -2.019 172.419 174.900 -0.771 0.000 1.387 376 G CA -0.256 44.163 45.100 -1.134 0.000 0.982 376 G HN 0.555 nan 8.290 nan 0.000 0.501 377 Y N 0.169 120.476 120.300 0.011 0.000 2.499 377 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 377 Y C 0.277 176.420 175.900 0.404 0.000 0.987 377 Y CA -0.953 57.363 58.100 0.361 0.000 1.044 377 Y CB 2.709 41.506 38.460 0.561 0.000 1.245 377 Y HN 0.454 nan 8.280 nan 0.000 0.461 378 E N 2.447 122.971 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 0.000 0.000 0.267 378 E C -1.772 174.985 176.600 0.262 0.000 0.893 378 E CA -0.708 55.848 56.400 0.260 0.000 0.761 378 E CB 1.496 31.381 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.292 121.589 120.300 -0.005 0.000 2.670 379 Y HA 0.625 5.175 4.550 0.000 0.000 0.334 379 Y C -1.844 173.998 175.900 -0.096 0.000 1.185 379 Y CA -1.446 56.560 58.100 -0.157 0.000 1.053 379 Y CB 0.730 38.952 38.460 -0.397 0.000 1.298 379 Y HN 0.186 nan 8.280 nan 0.000 0.459 380 F N 0.633 120.685 119.950 0.171 0.000 2.522 380 F HA 0.811 5.338 4.527 0.000 0.000 0.324 380 F C 0.180 176.030 175.800 0.083 0.000 1.077 380 F CA -0.886 57.161 58.000 0.077 0.000 0.944 380 F CB 2.198 41.196 39.000 -0.003 0.000 1.175 380 F HN 0.760 nan 8.300 nan 0.000 0.468 381 T N 0.766 115.459 114.554 0.232 0.000 2.886 381 T HA 0.407 4.757 4.350 0.000 0.000 0.330 381 T C -1.069 173.672 174.700 0.067 0.000 1.488 381 T CA -0.528 61.651 62.100 0.133 0.000 1.054 381 T CB 1.007 69.903 68.868 0.047 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.257 117.997 115.700 0.067 0.000 2.564 382 S HA 0.242 4.712 4.470 0.000 0.000 0.278 382 S C 1.481 176.099 174.600 0.030 0.000 1.333 382 S CA -0.571 57.648 58.200 0.031 0.000 1.048 382 S CB 0.932 64.154 63.200 0.037 0.000 0.900 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 1.136 121.641 120.500 0.008 0.000 2.115 383 R HA -0.028 4.312 4.340 0.000 0.000 0.230 383 R C 1.301 177.615 176.300 0.023 0.000 1.111 383 R CA 1.454 57.558 56.100 0.005 0.000 0.976 383 R CB -0.455 29.849 30.300 0.006 0.000 0.870 383 R HN 0.833 nan 8.270 nan 0.000 0.445 384 T N 0.000 114.570 114.554 0.026 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.118 62.100 0.029 0.000 1.349 384 T CB 0.000 68.881 68.868 0.022 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658