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_A 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 -0.606 119.893 120.500 -0.003 0.000 3.520 16 R HA -0.191 4.149 4.340 0.000 0.000 0.595 16 R C 1.239 177.536 176.300 -0.006 0.000 0.241 16 R CA 2.647 58.745 56.100 -0.004 0.000 1.835 16 R CB -2.428 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 -2.119 116.576 118.700 -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 2.738 55.781 53.050 -0.012 0.000 4.100 17 N CB -1.336 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 2.178 178.171 176.000 -0.011 0.000 0.991 18 Q CA 2.904 58.700 55.803 -0.012 0.000 0.867 18 Q CB -0.251 28.482 28.738 -0.008 0.000 0.911 18 Q HN 0.788 nan 8.270 nan 0.000 0.417 19 Q N -1.721 118.073 119.800 -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 56.736 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 1.827 124.640 122.820 -0.011 0.000 1.877 20 A HA -0.107 4.213 4.320 0.000 0.000 0.216 20 A C 2.231 179.804 177.584 -0.019 0.000 1.186 20 A CA 1.548 53.577 52.037 -0.013 0.000 0.620 20 A CB -0.526 18.465 19.000 -0.014 0.000 0.822 20 A HN 0.355 nan 8.150 nan 0.000 0.443 21 M N -0.620 118.966 119.600 -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 1.307 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 0.470 nan 8.290 nan 0.000 0.411 22 A N 0.519 123.327 122.820 -0.019 0.000 1.933 22 A HA -0.063 4.257 4.320 0.000 0.000 0.218 22 A C 2.360 179.937 177.584 -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 18.145 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.139 122.952 122.820 -0.011 0.000 1.897 23 A HA -0.160 4.160 4.320 0.000 0.000 0.215 23 A C 1.941 179.521 177.584 -0.008 0.000 1.181 23 A CA 1.908 53.941 52.037 -0.006 0.000 0.620 23 A CB -0.738 18.260 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.188 118.880 118.700 -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 1.930 54.968 53.050 -0.019 0.000 0.851 24 N CB -0.409 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 -0.075 121.135 121.223 -0.022 0.000 2.012 25 L HA -0.190 4.150 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 1.182 56.010 54.840 -0.020 0.000 0.748 25 L CB -0.715 41.332 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.209 120.004 119.800 -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 2.059 57.861 55.803 -0.003 0.000 0.844 26 Q CB -0.208 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 -0.193 4.127 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 53.615 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 -0.372 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 0.113 119.914 119.800 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 1.862 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 -0.185 120.390 120.570 0.009 0.000 2.226 30 I HA -0.252 3.918 4.170 0.000 0.000 0.245 30 I C 2.192 178.321 176.117 0.020 0.000 1.100 30 I CA 0.779 62.087 61.300 0.013 0.000 1.374 30 I CB -0.270 37.738 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 2.412 178.522 176.094 0.027 0.000 1.049 31 V CA 1.787 64.111 62.300 0.039 0.000 1.024 31 V CB -0.457 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 -0.380 120.850 121.223 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 -0.560 41.491 42.059 -0.013 0.000 0.899 32 L HN 0.443 nan 8.230 nan 0.000 0.433 33 Q N -0.621 119.179 119.800 0.001 0.000 2.083 33 Q HA -0.190 4.150 4.340 0.000 0.000 0.198 33 Q C 2.145 178.157 176.000 0.019 0.000 0.969 33 Q CA 1.126 56.932 55.803 0.004 0.000 0.838 33 Q CB 0.220 28.961 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 29.239 28.738 0.031 0.000 0.991 34 Q HN 0.333 nan 8.270 nan 0.000 0.498 35 S N -0.481 115.259 115.700 0.067 0.000 2.634 35 S HA 0.315 4.785 4.470 0.000 0.000 0.261 35 S C -0.595 174.073 174.600 0.113 0.000 1.271 35 S CA -0.621 57.637 58.200 0.097 0.000 0.985 35 S CB 0.774 64.025 63.200 0.085 0.000 0.968 35 S HN 0.209 nan 8.310 nan 0.000 0.568 36 Y N 1.670 121.974 120.300 0.007 0.000 2.361 36 Y HA 0.508 5.058 4.550 -0.000 0.000 0.337 36 Y C -2.574 173.289 175.900 -0.061 0.000 0.965 36 Y CA -2.252 55.835 58.100 -0.021 0.000 1.091 36 Y CB 2.048 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 -0.238 0.000 1.230 37 P CA 0.096 62.999 63.100 -0.327 0.000 0.776 37 P CB 1.955 33.444 31.700 -0.352 0.000 0.888 38 V N 4.839 124.547 119.914 -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 2.442 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 3.567 124.097 120.570 -0.067 0.000 2.418 39 I HA 0.611 4.781 4.170 0.000 0.000 0.287 39 I C -0.722 175.519 176.117 0.206 0.000 1.008 39 I CA -0.079 61.272 61.300 0.085 0.000 1.104 39 I CB 1.471 39.513 38.000 0.070 0.000 1.264 39 I HN 0.827 nan 8.210 nan 0.000 0.438 40 Q N 6.573 126.580 119.800 0.345 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 31.185 28.738 0.370 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.100 122.057 119.800 0.261 0.000 2.311 41 Q HA 0.159 4.499 4.340 0.000 0.000 0.272 41 Q C 0.163 176.175 176.000 0.021 0.000 1.012 41 Q CA 0.145 55.897 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 0.645 nan 8.270 nan 0.000 0.391 42 V N 0.088 120.010 119.914 0.013 0.000 3.572 42 V HA 0.431 4.551 4.120 0.000 0.000 0.260 42 V C 0.077 176.187 176.094 0.026 0.000 1.324 42 V CA 0.408 62.745 62.300 0.062 0.000 1.068 42 V CB 0.403 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 -0.698 119.497 120.200 -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 -0.138 56.256 56.400 -0.010 0.000 0.816 43 E CB 2.255 32.003 29.700 0.080 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.387 116.828 114.554 -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 -0.318 61.574 62.100 -0.348 0.000 0.996 44 T CB 1.665 70.401 68.868 -0.220 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.917 121.227 119.800 -0.816 0.000 2.386 45 Q HA 0.578 4.918 4.340 0.000 0.000 0.274 45 Q C -1.763 173.936 176.000 -0.501 0.000 1.011 45 Q CA -0.627 54.780 55.803 -0.661 0.000 0.867 45 Q CB 2.170 30.426 28.738 -0.804 0.000 1.409 45 Q HN 0.670 nan 8.270 nan 0.000 0.395 46 T N 3.494 117.913 114.554 -0.226 0.000 2.841 46 T HA 0.818 5.168 4.350 0.000 0.000 0.283 46 T C -1.168 173.541 174.700 0.017 0.000 1.000 46 T CA -0.392 61.612 62.100 -0.161 0.000 0.977 46 T CB 0.524 69.303 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 -1.817 173.964 175.800 -0.032 0.000 1.164 47 F CA -1.335 56.634 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 2.252 122.735 120.400 0.138 0.000 2.381 48 D HA 0.372 5.012 4.640 0.000 0.000 0.235 48 D C -1.958 174.485 176.300 0.239 0.000 1.068 48 D CA -2.500 51.531 54.000 0.052 0.000 0.832 48 D CB 2.326 43.178 40.800 0.087 0.000 1.101 48 D HN 0.317 nan 8.370 nan 0.000 0.515 49 P HA -0.107 nan 4.420 nan 0.000 0.229 49 P C 0.944 178.372 177.300 0.213 0.000 1.150 49 P CA 0.456 63.717 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 0.119 123.050 122.820 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 1.307 53.434 52.037 0.151 0.000 0.646 50 A CB -0.757 18.322 19.000 0.131 0.000 0.806 50 A HN 0.156 nan 8.150 nan 0.000 0.448 51 N N -0.473 118.310 118.700 0.139 0.000 2.439 51 N HA 0.067 4.807 4.740 0.000 0.000 0.176 51 N C 0.447 175.999 175.510 0.069 0.000 1.029 51 N CA 0.872 53.984 53.050 0.103 0.000 0.886 51 N CB 0.171 38.726 38.487 0.113 0.000 1.057 51 N HN 0.748 nan 8.380 nan 0.000 0.437 52 R N -1.255 119.311 120.500 0.110 0.000 2.663 52 R HA 0.484 4.824 4.340 0.000 0.000 0.267 52 R C -0.626 175.669 176.300 -0.008 0.000 1.038 52 R CA -0.564 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.945 31.114 30.300 -0.219 0.000 1.249 52 R HN -0.053 nan 8.270 nan 0.000 0.463 53 S N -0.690 114.922 115.700 -0.147 0.000 2.800 53 S HA 0.190 4.660 4.470 0.000 0.000 0.266 53 S C -0.305 174.299 174.600 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 1.013 32.694 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.134 122.008 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 0.000 0.000 0.313 55 F C -0.085 175.631 175.800 -0.140 0.000 1.091 55 F CA -0.825 57.104 58.000 -0.119 0.000 0.915 55 F CB 1.970 40.917 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.675 123.104 120.400 0.049 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.161 175.142 176.300 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 3.434 123.324 119.914 -0.040 0.000 2.546 57 V HA 0.270 4.390 4.120 0.000 0.000 0.284 57 V C 0.695 176.749 176.094 -0.067 0.000 1.050 57 V CA -0.239 62.043 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 7.438 121.977 114.554 -0.024 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 -0.795 61.291 62.100 -0.024 0.000 0.954 58 T CB 1.029 69.889 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 -0.653 176.700 177.300 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 32.575 31.700 0.331 0.000 1.038 60 A N 1.711 124.574 122.820 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 51.546 52.037 -0.013 0.000 0.800 60 A CB -0.449 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 0.323 5.063 4.740 0.000 0.000 0.243 61 N C -1.166 174.280 175.510 -0.106 0.000 1.104 61 N CA 0.157 53.173 53.050 -0.056 0.000 0.981 61 N CB 1.120 39.590 38.487 -0.029 0.000 1.290 61 N HN 0.416 nan 8.380 nan 0.000 0.513 62 V N 0.518 120.314 119.914 -0.196 0.000 2.733 62 V HA 0.698 4.818 4.120 0.000 0.000 0.306 62 V C 0.729 176.720 176.094 -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 32.617 31.823 -0.397 0.000 1.010 62 V HN 0.787 nan 8.190 nan 0.000 0.424 63 G N 6.247 115.033 108.800 -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 -0.082 174.851 174.900 0.055 0.000 1.273 63 G CA 0.580 45.723 45.100 0.073 0.000 0.974 63 G HN 1.236 nan 8.290 nan 0.000 0.552 64 I N 0.745 121.383 120.570 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 39.618 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 0.931 176.974 176.094 -0.085 0.000 1.047 65 V CA -0.296 61.987 62.300 -0.028 0.000 0.955 65 V CB 1.088 32.846 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.948 123.300 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 0.000 0.000 0.198 66 K C 0.814 177.331 176.600 -0.139 0.000 1.052 66 K CA 0.731 57.009 56.287 -0.015 0.000 0.984 66 K CB 0.753 33.330 32.500 0.128 0.000 0.836 66 K HN 0.902 nan 8.250 nan 0.000 0.490 67 G N 0.228 108.727 108.800 -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 -0.490 118.870 119.950 -0.984 0.000 2.547 68 F HA 0.653 5.180 4.527 0.000 0.000 0.316 68 F C -0.232 175.435 175.800 -0.221 0.000 1.121 68 F CA -0.806 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 4.513 125.994 121.223 0.430 0.000 2.265 69 L HA 0.709 5.049 4.340 0.000 0.000 0.289 69 L C -1.058 176.153 176.870 0.569 0.000 1.033 69 L CA -0.480 54.751 54.840 0.652 0.000 0.814 69 L CB 1.087 43.582 42.059 0.726 0.000 1.203 69 L HN 0.402 nan 8.230 nan 0.000 0.423 70 V N 5.655 125.868 119.914 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 0.388 0.000 0.847 70 V CB 1.167 33.150 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.278 124.787 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 0.000 0.000 0.274 71 K C -1.378 175.221 176.600 -0.001 0.000 1.009 71 K CA -0.388 55.748 56.287 -0.252 0.000 0.888 71 K CB 1.594 33.957 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.495 123.391 119.914 -0.030 0.000 2.531 72 V HA 0.355 4.475 4.120 0.000 0.000 0.301 72 V C -0.417 175.706 176.094 0.047 0.000 1.034 72 V CA -0.847 61.535 62.300 0.136 0.000 0.865 72 V CB 1.674 33.704 31.823 0.344 0.000 0.995 72 V HN 1.002 nan 8.190 nan 0.000 0.424 73 T N 1.308 115.879 114.554 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 61.570 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 0.857 123.726 122.820 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 0.130 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 1.363 124.275 122.820 0.153 0.000 2.318 75 A HA 0.767 5.087 4.320 0.000 0.000 0.317 75 A C -0.832 176.821 177.584 0.115 0.000 1.159 75 A CA -0.291 51.806 52.037 0.100 0.000 0.799 75 A CB 0.379 19.407 19.000 0.047 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.087 122.670 120.570 0.023 0.000 2.406 76 I HA 0.343 4.513 4.170 0.000 0.000 0.290 76 I C -0.256 175.767 176.117 -0.156 0.000 0.999 76 I CA -0.230 61.011 61.300 -0.099 0.000 1.124 76 I CB 2.413 40.330 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 -0.064 174.481 174.700 -0.258 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 0.191 175.622 175.510 -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 38.250 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 0.214 56.211 56.048 -0.084 0.000 1.417 80 H CB 1.179 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 2.172 124.792 122.820 -0.334 0.000 1.897 81 A HA -0.086 4.234 4.320 0.000 0.000 0.215 81 A C 1.812 179.421 177.584 0.042 0.000 1.181 81 A CA 1.929 53.886 52.037 -0.134 0.000 0.620 81 A CB -0.428 18.451 19.000 -0.202 0.000 0.821 81 A HN 0.855 nan 8.150 nan 0.000 0.443 82 T N -4.768 109.944 114.554 0.263 0.000 3.046 82 T HA 0.207 4.557 4.350 0.000 0.000 0.270 82 T C -0.055 174.726 174.700 0.134 0.000 0.920 82 T CA -0.294 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 -0.297 176.192 176.600 -0.185 0.000 0.974 83 E CA -0.478 55.797 56.400 -0.209 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 1.885 124.631 122.820 -0.123 0.000 2.247 84 A HA 0.731 5.051 4.320 0.000 0.000 0.313 84 A C -0.106 177.423 177.584 -0.092 0.000 1.109 84 A CA -0.546 51.434 52.037 -0.095 0.000 0.890 84 A CB 0.792 19.761 19.000 -0.052 0.000 1.239 84 A HN 0.402 nan 8.150 nan 0.000 0.506 85 V N -4.041 115.836 119.914 -0.061 0.000 3.078 85 V HA 0.953 5.073 4.120 0.000 0.000 0.311 85 V C -0.240 175.936 176.094 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 32.981 31.823 0.024 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.468 125.426 122.820 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 0.217 0.000 1.079 86 A CA -0.991 51.199 52.037 0.256 0.000 0.731 86 A CB 1.462 20.527 19.000 0.107 0.000 1.299 86 A HN 1.109 nan 8.150 nan 0.000 0.413 87 L N 1.890 123.134 121.223 0.034 0.000 2.543 87 L HA 0.117 4.457 4.340 0.000 0.000 0.285 87 L C 1.478 178.249 176.870 -0.164 0.000 1.236 87 L CA 0.181 54.833 54.840 -0.312 0.000 0.871 87 L CB 0.379 42.291 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.869 112.559 114.554 -0.210 0.000 2.770 88 T HA 0.089 4.439 4.350 0.000 0.000 0.281 88 T C 0.751 175.367 174.700 -0.141 0.000 0.981 88 T CA -0.802 61.194 62.100 -0.174 0.000 0.955 88 T CB 0.798 69.529 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 1.497 177.940 176.300 0.239 0.000 0.980 89 D CA 1.047 55.030 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 0.163 120.041 119.950 -0.121 0.000 2.473 90 F HA 0.246 4.773 4.527 0.000 0.000 0.294 90 F C 2.182 177.930 175.800 -0.087 0.000 1.103 90 F CA 0.414 58.379 58.000 -0.060 0.000 1.442 90 F CB -0.907 38.025 39.000 -0.112 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.643 111.463 108.800 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 -1.144 173.730 174.900 -0.044 0.000 1.286 91 G CA 0.545 45.584 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.049 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 65.375 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 1.008 53.013 52.037 -0.053 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 1.032 176.687 175.510 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 38.742 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 0.775 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 -0.331 119.689 119.914 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 3.631 123.349 119.800 -0.136 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 -0.821 119.535 120.500 -0.240 0.000 2.739 98 R HA 0.620 4.960 4.340 0.000 0.000 0.271 98 R C -1.751 174.358 176.300 -0.318 0.000 1.010 98 R CA -0.516 55.432 56.100 -0.253 0.000 0.897 98 R CB 2.574 32.772 30.300 -0.170 0.000 1.236 98 R HN -0.059 nan 8.270 nan 0.000 0.466 99 V N 2.958 122.701 119.914 -0.284 0.000 2.971 99 V HA 0.696 4.816 4.120 0.000 0.000 0.309 99 V C -1.548 174.428 176.094 -0.197 0.000 1.130 99 V CA -0.598 61.534 62.300 -0.279 0.000 0.964 99 V CB 2.135 33.765 31.823 -0.321 0.000 1.029 99 V HN 0.633 nan 8.190 nan 0.000 0.427 100 I N 5.927 126.400 120.570 -0.163 0.000 2.607 100 I HA 0.420 4.590 4.170 0.000 0.000 0.290 100 I C -1.827 174.229 176.117 -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 6.270 126.418 120.300 -0.254 0.000 2.376 101 Y HA 0.596 5.146 4.550 0.000 0.000 0.340 101 Y C -1.715 174.056 175.900 -0.215 0.000 0.965 101 Y CA -0.694 57.293 58.100 -0.189 0.000 1.078 101 Y CB 1.292 39.650 38.460 -0.171 0.000 1.193 101 Y HN 0.362 nan 8.280 nan 0.000 0.452 102 Y N 4.665 124.457 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.088 175.281 175.900 -0.886 0.000 0.975 102 Y CA -1.021 56.742 58.100 -0.561 0.000 1.089 102 Y CB 1.169 39.440 38.460 -0.315 0.000 1.192 102 Y HN 0.719 nan 8.280 nan 0.000 0.454 103 D N 2.726 122.986 120.400 -0.232 0.000 2.451 103 D HA 0.233 4.873 4.640 0.000 0.000 0.259 103 D C -2.230 174.066 176.300 -0.007 0.000 1.201 103 D CA -2.297 51.661 54.000 -0.070 0.000 1.028 103 D CB 0.409 41.354 40.800 0.242 0.000 1.095 103 D HN 0.165 nan 8.370 nan 0.000 0.539 104 P HA -0.066 nan 4.420 nan 0.000 0.221 104 P C -0.008 177.306 177.300 0.023 0.000 1.145 104 P CA 1.046 64.157 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 -1.343 119.089 120.400 0.054 0.000 2.358 105 D HA 0.058 4.698 4.640 0.000 0.000 0.224 105 D C 0.260 176.596 176.300 0.058 0.000 1.123 105 D CA -0.005 54.026 54.000 0.051 0.000 0.833 105 D CB -0.511 40.327 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 0.676 53.784 53.050 0.097 0.000 0.750 106 N CB -1.046 37.458 38.487 0.028 0.000 1.119 106 N HN 0.365 nan 8.380 nan 0.000 0.561 107 Q N 1.200 121.098 119.800 0.164 0.000 2.256 107 Q HA 0.350 4.690 4.340 0.000 0.000 0.254 107 Q C -0.132 175.955 176.000 0.144 0.000 0.916 107 Q CA -0.198 55.684 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 3.054 123.553 120.500 -0.001 0.000 2.490 108 R HA 0.265 4.605 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 -0.134 55.869 56.100 -0.161 0.000 1.065 108 R CB 0.667 30.750 30.300 -0.360 0.000 1.003 108 R HN 0.820 nan 8.270 nan 0.000 0.470 109 H N 0.223 119.256 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 0.000 0.000 0.118 109 H C 0.090 175.335 175.328 -0.138 0.000 1.355 109 H CA -0.344 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 1.525 116.081 114.554 0.003 0.000 2.916 110 T HA 0.085 4.435 4.350 0.000 0.000 0.303 110 T C 0.112 174.744 174.700 -0.114 0.000 1.025 110 T CA 0.472 62.495 62.100 -0.127 0.000 1.142 110 T CB 0.315 69.071 68.868 -0.187 0.000 0.947 110 T HN 0.390 nan 8.240 nan 0.000 0.544 111 E N 2.172 122.308 120.200 -0.105 0.000 2.642 111 E HA 0.433 4.783 4.350 0.000 0.000 0.284 111 E C -0.803 175.751 176.600 -0.076 0.000 1.039 111 E CA -0.466 55.872 56.400 -0.103 0.000 0.777 111 E CB 0.921 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 0.985 115.468 114.554 -0.119 0.000 2.731 112 T HA 0.448 4.798 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 1.076 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 0.001 115.496 115.700 -0.342 0.000 2.617 113 S HA 0.486 4.956 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 0.055 57.978 58.200 -0.462 0.000 1.010 113 S CB 0.859 63.547 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 1.794 177.996 176.519 -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 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.261 119.965 119.070 -0.611 0.000 2.326 116 H HA -0.182 4.374 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 1.805 57.628 56.048 -0.376 0.000 1.334 116 H CB -0.131 29.244 29.762 -0.646 0.000 1.385 116 H HN 0.114 nan 8.280 nan 0.000 0.504 117 L N 1.073 122.071 121.223 -0.375 0.000 2.013 117 L HA -0.220 4.120 4.340 0.000 0.000 0.212 117 L C 2.594 179.367 176.870 -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 40.811 42.059 -0.186 0.000 0.890 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.320 117.677 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.846 177.158 175.328 -0.028 0.000 1.090 118 H CA 2.191 58.164 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 -0.230 119.603 119.950 -0.196 0.000 2.216 119 F HA -0.103 4.424 4.527 0.000 0.000 0.300 119 F C 2.663 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.859 58.791 58.000 -0.112 0.000 1.326 119 F CB -0.976 38.001 39.000 -0.038 0.000 1.027 119 F HN 0.104 nan 8.300 nan 0.000 0.497 120 V N 0.069 119.969 119.914 -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 -0.838 30.888 31.823 -0.161 0.000 0.666 120 V HN 0.363 nan 8.190 nan 0.000 0.456 121 N N -0.287 118.269 118.700 -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 -0.220 0.000 1.024 121 N CA 1.817 54.605 53.050 -0.436 0.000 0.853 121 N CB -0.200 37.624 38.487 -1.106 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.592 115.048 114.554 -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 1.196 63.271 62.100 -0.041 0.000 1.146 122 T CB -0.338 68.481 68.868 -0.081 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.894 124.688 122.820 -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 1.406 53.382 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 0.295 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 1.414 57.688 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 -0.053 119.748 119.800 0.003 0.000 2.187 125 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 125 Q C 0.640 176.629 176.000 -0.020 0.000 0.957 125 Q CA 1.259 57.070 55.803 0.013 0.000 0.857 125 Q CB 0.248 29.046 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.571 108.209 108.800 -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 -1.301 121.474 122.820 -0.076 0.000 2.597 127 A HA 0.786 5.106 4.320 0.000 0.000 0.292 127 A C -3.133 174.415 177.584 -0.060 0.000 1.057 127 A CA -0.743 51.241 52.037 -0.088 0.000 0.674 127 A CB 0.716 19.675 19.000 -0.068 0.000 1.278 127 A HN 0.156 nan 8.150 nan 0.000 0.416 128 P HA 0.110 nan 4.420 nan 0.000 0.258 128 P C -0.347 177.018 177.300 0.109 0.000 1.172 128 P CA 0.563 63.677 63.100 0.023 0.000 0.762 128 P CB -0.144 31.570 31.700 0.024 0.000 0.764 129 F N 5.765 125.724 119.950 0.014 0.000 2.612 129 F HA -0.058 4.469 4.527 0.000 0.000 0.389 129 F C 1.172 176.995 175.800 0.038 0.000 1.055 129 F CA 0.360 58.377 58.000 0.029 0.000 1.232 129 F CB -0.403 38.641 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.597 124.450 121.223 -0.617 0.000 3.976 130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 130 L C 0.622 177.339 176.870 -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 39.210 42.059 -0.831 0.000 1.933 130 L HN 0.734 nan 8.230 nan 0.000 0.976 131 S N -1.847 113.769 115.700 -0.141 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.318 174.868 174.600 -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 65.379 63.200 -0.027 0.000 0.967 131 S HN 0.274 nan 8.310 nan 0.000 0.556 132 S N 1.720 117.388 115.700 -0.053 0.000 2.498 132 S HA 0.448 4.918 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 -0.424 62.761 63.200 -0.025 0.000 0.976 132 S HN 0.779 nan 8.310 nan 0.000 0.462 133 M N 4.122 123.694 119.600 -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 -0.408 54.866 55.300 -0.043 0.000 1.173 133 M CB 0.495 33.059 32.600 -0.059 0.000 1.458 133 M HN 0.247 nan 8.290 nan 0.000 0.458 134 V N 2.617 122.518 119.914 -0.022 0.000 2.439 134 V HA 0.603 4.723 4.120 0.000 0.000 0.282 134 V C 0.465 176.549 176.094 -0.017 0.000 1.039 134 V CA -0.164 62.129 62.300 -0.011 0.000 0.913 134 V CB 1.187 33.007 31.823 -0.004 0.000 0.983 134 V HN 1.107 nan 8.190 nan 0.000 0.460 135 T N -0.270 114.278 114.554 -0.009 0.000 2.838 135 T HA 0.350 4.700 4.350 0.000 0.000 0.292 135 T C 0.253 174.956 174.700 0.006 0.000 1.113 135 T CA -0.285 61.807 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 -0.074 120.328 120.400 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 53.834 54.000 0.014 0.000 0.875 136 D CB -0.387 40.418 40.800 0.007 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.791 117.518 115.700 0.045 0.000 2.544 137 S HA 0.078 4.548 4.470 0.000 0.000 0.290 137 S C -1.044 173.609 174.600 0.089 0.000 1.276 137 S CA -0.930 57.321 58.200 0.086 0.000 1.075 137 S CB 0.990 64.288 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.060 nan 4.420 nan 0.000 0.225 138 P C 0.121 177.437 177.300 0.027 0.000 1.156 138 P CA 0.337 63.460 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 1.183 121.781 120.570 0.048 0.000 2.648 139 I HA -0.022 4.148 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 0.286 61.553 61.300 -0.054 0.000 1.426 139 I CB 0.171 38.129 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.535 126.830 120.400 -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 -0.588 31.860 32.500 -0.088 0.000 1.431 140 K HN 0.367 nan 8.250 nan 0.000 0.326 141 Y N 0.567 120.857 120.300 -0.018 0.000 2.296 141 Y HA 0.299 4.849 4.550 0.000 0.000 0.343 141 Y C 1.551 177.439 175.900 -0.021 0.000 1.292 141 Y CA 0.660 58.746 58.100 -0.023 0.000 1.490 141 Y CB 0.785 39.230 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 -0.028 3.932 3.960 0.000 0.000 0.265 142 G HA3 -0.028 3.932 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 -0.834 44.311 45.100 0.075 0.000 0.949 142 G HN 0.533 nan 8.290 nan 0.000 0.476 143 D N 0.540 120.954 120.400 0.024 0.000 2.508 143 D HA 0.441 5.081 4.640 0.000 0.000 0.224 143 D C 1.386 177.694 176.300 0.014 0.000 1.171 143 D CA 0.096 54.104 54.000 0.014 0.000 1.006 143 D CB 0.678 41.486 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.796 122.716 119.914 0.011 0.000 2.575 144 V HA -0.029 4.091 4.120 0.000 0.000 0.242 144 V C 1.880 177.978 176.094 0.007 0.000 1.045 144 V CA 0.781 63.084 62.300 0.006 0.000 1.065 144 V CB -0.116 31.707 31.823 -0.000 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.443 119.160 119.600 0.005 0.000 2.371 145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 145 M C 0.372 176.688 176.300 0.026 0.000 1.103 145 M CA 0.090 55.397 55.300 0.011 0.000 1.010 145 M CB -0.618 31.980 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 1.415 177.611 176.094 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 0.375 120.997 120.570 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 -1.613 174.732 176.300 0.074 0.000 1.240 149 D CA -0.298 53.740 54.000 0.063 0.000 0.801 149 D CB 2.294 43.135 40.800 0.068 0.000 1.556 149 D HN 0.680 nan 8.370 nan 0.000 0.462 150 A N 2.485 125.351 122.820 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 20.478 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 0.988 178.418 177.300 0.217 0.000 1.204 151 P CA 0.467 63.664 63.100 0.161 0.000 0.768 151 P CB 1.309 33.084 31.700 0.124 0.000 0.842 152 A N 3.544 126.448 122.820 0.138 0.000 1.978 152 A HA -0.039 4.281 4.320 0.000 0.000 0.220 152 A C 1.124 178.826 177.584 0.197 0.000 1.170 152 A CA 1.937 54.049 52.037 0.125 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 -3.829 110.832 114.554 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 1.478 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 1.829 122.342 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 0.000 0.000 0.283 154 I C 0.619 176.655 176.117 -0.135 0.000 1.023 154 I CA -1.113 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.455 39.210 38.000 -0.409 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.739 127.509 122.820 -0.083 0.000 2.366 155 A HA 0.713 5.033 4.320 0.000 0.000 0.249 155 A C 0.631 178.176 177.584 -0.066 0.000 1.084 155 A CA -0.287 51.713 52.037 -0.061 0.000 0.794 155 A CB 0.461 19.440 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 1.628 179.197 177.584 -0.025 0.000 1.056 156 A CA 0.968 52.999 52.037 -0.010 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 0.840 109.617 108.800 -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 0.554 175.422 174.900 -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 -0.523 122.256 122.820 -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 52.625 52.037 -0.070 0.000 0.847 158 A CB 1.103 20.064 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.620 115.130 114.554 -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 1.461 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 1.955 110.712 108.800 -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 0.620 120.852 120.200 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 2.387 32.117 29.700 0.050 0.000 1.128 161 E HN 0.135 nan 8.360 nan 0.000 0.403 162 L N 1.398 122.693 121.223 0.120 0.000 2.341 162 L HA 0.532 4.872 4.340 0.000 0.000 0.267 162 L C 0.031 176.965 176.870 0.107 0.000 1.009 162 L CA -0.467 54.453 54.840 0.133 0.000 0.819 162 L CB 2.121 44.292 42.059 0.186 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.275 116.887 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 0.000 0.000 0.297 163 T C -1.087 173.657 174.700 0.073 0.000 1.013 163 T CA -0.365 61.782 62.100 0.079 0.000 0.990 163 T CB 1.638 70.573 68.868 0.111 0.000 1.023 163 T HN 0.428 nan 8.240 nan 0.000 0.447 164 M N 3.183 122.793 119.600 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 -0.850 54.437 55.300 -0.022 0.000 0.886 164 M CB 1.669 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 2.731 123.001 120.300 -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 -0.335 57.850 58.100 0.141 0.000 1.044 165 Y CB 2.069 40.666 38.460 0.230 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.172 121.769 120.300 0.495 0.000 2.477 166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 166 Y C -1.017 175.105 175.900 0.370 0.000 0.981 166 Y CA -1.553 56.733 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 9.360 128.984 119.914 -0.483 0.000 2.334 168 V HA 0.194 4.314 4.120 0.000 0.000 0.267 168 V C -1.609 173.989 176.094 -0.825 0.000 1.040 168 V CA -1.558 60.472 62.300 -0.451 0.000 0.866 168 V CB 0.963 32.652 31.823 -0.222 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.389 nan 4.420 nan 0.000 0.286 169 P C 0.044 177.244 177.300 -0.168 0.000 1.261 169 P CA -0.304 62.628 63.100 -0.280 0.000 0.821 169 P CB 2.500 34.360 31.700 0.267 0.000 1.013 170 L N 1.495 122.657 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 0.000 0.000 0.178 170 L C 1.377 178.376 176.870 0.214 0.000 1.135 170 L CA 0.101 54.898 54.840 -0.070 0.000 0.855 170 L CB -0.830 41.056 42.059 -0.289 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.891 122.026 122.820 0.162 0.000 2.445 171 A HA -0.034 4.286 4.320 0.000 0.000 0.242 171 A C 0.551 178.289 177.584 0.258 0.000 1.075 171 A CA 0.046 52.202 52.037 0.197 0.000 0.777 171 A CB -0.050 19.032 19.000 0.136 0.000 1.013 171 A HN 0.367 nan 8.150 nan 0.000 0.493 172 Y N 2.288 122.578 120.300 -0.017 0.000 2.181 172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 172 Y C 1.287 177.145 175.900 -0.071 0.000 1.146 172 Y CA 1.807 59.722 58.100 -0.308 0.000 1.164 172 Y CB 0.015 38.317 38.460 -0.264 0.000 0.982 172 Y HN 0.883 nan 8.280 nan 0.000 0.515 173 S N -2.126 113.559 115.700 -0.025 0.000 2.790 173 S HA 0.230 4.700 4.470 0.000 0.000 0.292 173 S C 0.521 175.112 174.600 -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 1.540 178.121 176.600 -0.030 0.000 0.989 174 E CA 2.041 58.404 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 0.244 174.961 174.700 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 1.189 121.628 120.400 0.065 0.000 2.453 176 D HA 0.313 4.953 4.640 0.000 0.000 0.238 176 D C 0.630 176.975 176.300 0.074 0.000 1.088 176 D CA -0.686 53.362 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 2.494 123.734 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 0.000 0.000 0.233 177 L C 0.762 177.637 176.870 0.009 0.000 1.144 177 L CA 0.157 55.016 54.840 0.031 0.000 0.892 177 L CB -0.325 41.747 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.871 115.394 114.554 -0.052 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.258 175.950 174.700 -0.013 0.000 0.998 178 T CA 1.056 63.054 62.100 -0.170 0.000 1.162 178 T CB 0.836 69.391 68.868 -0.522 0.000 0.947 178 T HN 0.631 nan 8.240 nan 0.000 0.536 179 G N 2.043 110.865 108.800 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 0.363 175.375 174.900 0.188 0.000 0.991 179 G CA -0.036 45.186 45.100 0.203 0.000 0.629 179 G HN 1.158 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 1.814 121.745 119.914 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 -0.522 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 5.184 126.432 121.223 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 55.511 54.840 0.013 0.000 0.819 182 L CB 0.981 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 3.755 126.569 122.820 -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 -0.584 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 -0.010 118.650 118.700 -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 1.626 54.627 53.050 -0.081 0.000 0.904 184 N CB 0.248 38.669 38.487 -0.111 0.000 0.964 184 N HN 0.356 nan 8.380 nan 0.000 0.444 185 V N -2.321 117.543 119.914 -0.084 0.000 3.054 185 V HA 0.255 4.375 4.120 0.000 0.000 0.227 185 V C -1.162 174.909 176.094 -0.039 0.000 1.252 185 V CA -0.125 62.133 62.300 -0.069 0.000 1.279 185 V CB -1.361 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 3.188 66.280 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 -3.949 115.841 119.800 -0.016 0.000 2.540 187 Q HA -0.274 4.066 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 1.921 57.715 55.803 -0.015 0.000 0.213 187 Q CB -2.707 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 2.720 118.411 115.700 -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 0.563 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 3.699 124.076 120.400 -0.038 0.000 2.202 189 K HA 0.285 4.605 4.320 0.000 0.000 0.264 189 K C -0.163 176.401 176.600 -0.060 0.000 1.010 189 K CA -0.566 55.696 56.287 -0.042 0.000 0.940 189 K CB 0.484 32.954 32.500 -0.050 0.000 0.983 189 K HN 0.649 nan 8.250 nan 0.000 0.475 190 Q N 1.170 120.940 119.800 -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 1.552 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 -1.626 174.545 176.300 -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 31.429 30.300 -0.152 0.000 1.180 191 R HN 0.340 nan 8.270 nan 0.000 0.444 192 L N 3.669 124.779 121.223 -0.189 0.000 2.301 192 L HA 0.394 4.734 4.340 0.000 0.000 0.278 192 L C -0.885 175.879 176.870 -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 42.631 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.173 126.498 120.400 -0.126 0.000 2.201 193 K HA 0.602 4.922 4.320 0.000 0.000 0.278 193 K C -1.235 175.237 176.600 -0.214 0.000 1.027 193 K CA -0.419 55.791 56.287 -0.127 0.000 0.909 193 K CB 1.361 33.829 32.500 -0.053 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.456 123.526 121.223 -0.255 0.000 2.381 194 L HA 0.360 4.700 4.340 0.000 0.000 0.274 194 L C -0.438 176.185 176.870 -0.412 0.000 0.988 194 L CA -0.625 53.945 54.840 -0.451 0.000 0.824 194 L CB 1.955 43.610 42.059 -0.674 0.000 1.263 194 L HN 0.646 nan 8.230 nan 0.000 0.410 195 E N 3.178 123.117 120.200 -0.436 0.000 2.129 195 E HA 0.451 4.801 4.350 0.000 0.000 0.268 195 E C -1.304 175.106 176.600 -0.316 0.000 0.900 195 E CA -0.606 55.642 56.400 -0.253 0.000 0.755 195 E CB 1.038 30.648 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 0.464 4.991 4.527 0.000 0.000 0.319 196 F C 1.075 176.902 175.800 0.046 0.000 1.129 196 F CA -0.556 57.481 58.000 0.061 0.000 1.109 196 F CB 0.837 39.967 39.000 0.216 0.000 1.262 196 F HN 0.506 nan 8.300 nan 0.000 0.534 197 A N 1.643 124.612 122.820 0.249 0.000 2.448 197 A HA 0.393 4.713 4.320 0.000 0.000 0.239 197 A C -0.265 177.382 177.584 0.103 0.000 1.080 197 A CA -0.167 51.974 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 -0.827 52.363 53.050 0.233 0.000 0.785 198 N CB 0.363 38.959 38.487 0.181 0.000 1.680 198 N HN 0.296 nan 8.380 nan 0.000 0.594 199 N N -0.601 118.358 118.700 0.431 0.000 2.573 199 N HA -0.029 4.711 4.740 0.000 0.000 0.187 199 N C -0.043 175.671 175.510 0.339 0.000 1.107 199 N CA 0.647 53.989 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 0.579 nan 8.380 nan 0.000 0.448 200 N N -1.079 117.753 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 0.000 0.000 0.176 200 N C 1.505 177.082 175.510 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 -2.834 111.769 114.554 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 0.813 123.487 122.820 -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 -0.805 0.000 1.157 202 A CA 0.251 51.917 52.037 -0.618 0.000 0.670 202 A CB -0.574 17.825 19.000 -1.002 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.815 119.193 119.950 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 -1.420 56.620 58.000 0.067 0.000 0.948 203 F CB 1.434 40.452 39.000 0.030 0.000 1.154 203 F HN 0.067 nan 8.300 nan 0.000 0.439 204 A N 2.000 124.933 122.820 0.189 0.000 2.304 204 A HA 0.878 5.198 4.320 0.000 0.000 0.323 204 A C -0.197 177.445 177.584 0.097 0.000 1.195 204 A CA -0.586 51.517 52.037 0.111 0.000 0.826 204 A CB 0.675 19.708 19.000 0.056 0.000 1.184 204 A HN 0.967 nan 8.150 nan 0.000 0.496 205 A N 1.669 124.534 122.820 0.075 0.000 2.332 205 A HA 0.535 4.855 4.320 0.000 0.000 0.258 205 A C 0.394 177.997 177.584 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 1.371 121.294 119.914 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 1.888 64.192 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 1.966 nan 8.190 nan 0.000 0.487 207 G N 3.210 112.015 108.800 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 0.262 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 -0.126 122.705 122.820 0.019 0.000 2.271 208 A HA 0.656 4.976 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 19.407 19.000 0.036 0.000 1.091 208 A HN 0.518 nan 8.150 nan 0.000 0.493 209 N N 1.101 119.822 118.700 0.035 0.000 2.452 209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 209 N C -1.756 173.778 175.510 0.040 0.000 1.175 209 N CA -1.307 51.779 53.050 0.059 0.000 0.945 209 N CB 1.014 39.538 38.487 0.062 0.000 1.063 209 N HN 0.350 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 0.477 32.095 31.700 -0.137 0.000 1.150 211 L N 1.569 122.647 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 0.000 0.000 0.219 211 L C 1.746 178.416 176.870 -0.334 0.000 1.077 211 L CA 2.207 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 -0.013 120.151 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.682 177.306 176.600 0.041 0.000 1.039 212 E CA 0.575 57.024 56.400 0.082 0.000 0.881 212 E CB -0.072 29.712 29.700 0.140 0.000 0.970 212 E HN 0.576 nan 8.360 nan 0.000 0.486 213 A N 0.734 123.527 122.820 -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 51.562 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 0.049 nan 8.150 nan 0.000 0.493 214 I N -1.586 118.934 120.570 -0.082 0.000 3.039 214 I HA 0.125 4.295 4.170 0.000 0.000 0.270 214 I C -0.377 175.555 176.117 -0.308 0.000 1.150 214 I CA 0.637 61.856 61.300 -0.134 0.000 1.448 214 I CB 0.004 37.986 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 -0.252 175.706 175.900 0.096 0.000 0.987 215 Y CA -0.769 57.391 58.100 0.099 0.000 1.044 215 Y CB 1.736 40.305 38.460 0.182 0.000 1.245 215 Y HN -0.069 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 -0.979 175.077 176.000 0.094 0.000 1.074 216 Q CA -0.627 55.248 55.803 0.121 0.000 0.810 216 Q CB 2.660 31.425 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.375 109.206 108.800 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 -0.266 174.606 174.900 -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 -0.868 121.895 122.820 -0.095 0.000 2.070 218 A HA 0.320 4.640 4.320 0.000 0.000 0.220 218 A C 2.237 179.622 177.584 -0.330 0.000 1.159 218 A CA 2.716 54.656 52.037 -0.162 0.000 0.656 218 A CB -0.434 18.470 19.000 -0.160 0.000 0.800 218 A HN 1.994 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 0.851 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 1.464 124.226 122.820 -0.097 0.000 1.917 220 A HA 0.104 4.424 4.320 0.000 0.000 0.219 220 A C 2.761 180.331 177.584 -0.022 0.000 1.182 220 A CA 2.244 54.265 52.037 -0.027 0.000 0.633 220 A CB -0.714 18.336 19.000 0.084 0.000 0.819 220 A HN 0.797 nan 8.150 nan 0.000 0.448 221 A N -0.688 122.147 122.820 0.025 0.000 2.024 221 A HA -0.164 4.156 4.320 0.000 0.000 0.220 221 A C 1.357 178.948 177.584 0.012 0.000 1.164 221 A CA 1.777 53.843 52.037 0.048 0.000 0.643 221 A CB -0.340 18.702 19.000 0.069 0.000 0.806 221 A HN 0.481 nan 8.150 nan 0.000 0.451 222 D N -1.197 119.202 120.400 -0.002 0.000 2.388 222 D HA 0.196 4.836 4.640 0.000 0.000 0.221 222 D C -0.353 175.831 176.300 -0.193 0.000 1.133 222 D CA -0.036 53.934 54.000 -0.049 0.000 0.831 222 D CB -0.091 40.721 40.800 0.020 0.000 0.962 222 D HN 0.290 nan 8.370 nan 0.000 0.502 223 C N 1.546 120.606 119.300 -0.400 0.000 2.398 223 C HA 0.568 5.028 4.460 0.000 0.000 0.364 223 C C 0.531 175.014 174.990 -0.845 0.000 1.219 223 C CA -0.503 58.029 59.018 -0.811 0.000 2.312 223 C CB 0.831 27.684 27.740 -1.478 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.610 120.406 120.200 -0.673 0.000 2.401 224 E HA 0.454 4.804 4.350 0.000 0.000 0.280 224 E C -1.765 174.802 176.600 -0.056 0.000 1.039 224 E CA -0.690 55.601 56.400 -0.182 0.000 0.814 224 E CB 0.585 30.269 29.700 -0.027 0.000 1.275 224 E HN 0.355 nan 8.360 nan 0.000 0.448 225 F N 1.532 121.609 119.950 0.212 0.000 2.427 225 F HA 0.164 4.691 4.527 0.000 0.000 0.352 225 F C 1.778 177.602 175.800 0.039 0.000 1.100 225 F CA 0.014 58.100 58.000 0.144 0.000 1.191 225 F CB 1.437 40.510 39.000 0.121 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.568 121.880 120.200 0.187 0.000 2.076 226 E HA -0.060 4.290 4.350 0.000 0.000 0.190 226 E C -0.383 176.253 176.600 0.060 0.000 0.979 226 E CA 1.038 57.489 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 -0.945 119.290 120.200 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 -0.237 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 0.560 120.751 120.570 -0.633 0.000 2.686 228 I HA 0.680 4.850 4.170 0.000 0.000 0.295 228 I C -0.918 174.762 176.117 -0.727 0.000 1.114 228 I CA -0.878 59.988 61.300 -0.723 0.000 1.038 228 I CB 2.391 39.704 38.000 -1.146 0.000 1.238 228 I HN 0.543 nan 8.210 nan 0.000 0.420 229 S N 3.626 119.099 115.700 -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 -1.258 118.957 120.300 -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 -0.863 57.213 58.100 -0.041 0.000 1.028 230 Y CB 1.151 39.652 38.460 0.069 0.000 1.297 230 Y HN 0.434 nan 8.280 nan 0.000 0.463 231 T N 2.901 117.574 114.554 0.199 0.000 2.928 231 T HA 0.531 4.881 4.350 0.000 0.000 0.296 231 T C -1.456 173.333 174.700 0.149 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.508 70.344 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 0.478 4.598 4.120 0.000 0.000 0.286 232 V C -1.127 175.005 176.094 0.064 0.000 1.026 232 V CA -0.761 61.641 62.300 0.169 0.000 0.868 232 V CB 0.832 32.755 31.823 0.166 0.000 0.982 232 V HN 0.806 nan 8.190 nan 0.000 0.443 233 Y N 3.020 123.505 120.300 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 1.685 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 2.136 122.199 119.800 0.440 0.000 2.271 234 Q HA 0.457 4.797 4.340 0.000 0.000 0.258 234 Q C -0.886 175.280 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.283 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 4.284 120.052 115.700 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 -0.380 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 2.114 122.423 120.300 0.016 0.000 2.689 236 Y HA 0.720 5.271 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 0.817 39.275 38.460 -0.003 0.000 1.294 236 Y HN 0.425 nan 8.280 nan 0.000 0.466 237 L N 2.431 123.760 121.223 0.177 0.000 2.313 237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 237 L C -0.852 176.160 176.870 0.238 0.000 1.013 237 L CA -0.567 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 1.918 122.435 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 0.000 0.000 0.250 238 D C -0.366 176.053 176.300 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 0.216 120.129 119.800 0.188 0.000 2.460 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.311 239 Q C -0.458 175.632 176.000 0.150 0.000 1.396 239 Q CA 0.371 56.264 55.803 0.150 0.000 0.838 239 Q CB -1.872 26.939 28.738 0.122 0.000 1.140 239 Q HN 0.469 nan 8.270 nan 0.000 0.415 240 L N 2.040 123.393 121.223 0.216 0.000 2.490 240 L HA 0.131 4.471 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 -1.168 53.811 54.840 0.231 0.000 0.869 240 L CB -0.206 42.102 42.059 0.414 0.000 1.123 240 L HN 0.019 nan 8.230 nan 0.000 0.484 241 P HA 0.117 nan 4.420 nan 0.000 0.271 241 P C -0.847 176.371 177.300 -0.136 0.000 1.216 241 P CA -0.151 62.932 63.100 -0.029 0.000 0.771 241 P CB 1.292 32.997 31.700 0.009 0.000 0.864 242 V N 2.664 122.449 119.914 -0.216 0.000 2.628 242 V HA 0.737 4.857 4.120 0.000 0.000 0.306 242 V C 0.910 176.923 176.094 -0.135 0.000 1.045 242 V CA -0.147 61.978 62.300 -0.292 0.000 0.905 242 V CB 1.642 33.217 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.600 110.345 108.800 -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 0.567 175.447 174.900 -0.033 0.000 1.234 243 G CA 0.580 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 -1.433 118.359 119.800 -0.015 0.000 1.942 244 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 244 Q C 2.526 178.527 176.000 0.002 0.000 0.987 244 Q CA 2.711 58.510 55.803 -0.007 0.000 0.844 244 Q CB -1.963 26.774 28.738 -0.001 0.000 0.911 244 Q HN 1.293 nan 8.270 nan 0.000 0.423 245 N N -0.026 118.681 118.700 0.012 0.000 2.573 245 N HA 0.387 5.127 4.740 0.000 0.000 0.187 245 N C 1.400 176.935 175.510 0.041 0.000 1.107 245 N CA 1.571 54.636 53.050 0.025 0.000 0.918 245 N CB -0.175 38.329 38.487 0.028 0.000 0.966 245 N HN 1.557 nan 8.380 nan 0.000 0.448 246 G N -1.686 107.132 108.800 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 -1.054 173.868 174.900 0.036 0.000 1.269 246 G CA -0.372 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 0.905 121.215 120.300 0.017 0.000 2.717 247 Y HA 0.393 4.943 4.550 0.000 0.000 0.330 247 Y C 1.504 177.414 175.900 0.017 0.000 1.217 247 Y CA 0.528 58.640 58.100 0.020 0.000 1.506 247 Y CB 0.339 38.813 38.460 0.023 0.000 1.268 247 Y HN 0.368 nan 8.280 nan 0.000 0.561 248 I N 6.181 126.827 120.570 0.126 0.000 2.322 248 I HA 0.181 4.351 4.170 0.000 0.000 0.292 248 I C -0.587 175.591 176.117 0.101 0.000 1.060 248 I CA 0.152 61.501 61.300 0.082 0.000 1.309 248 I CB -0.040 37.984 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.561 129.833 121.223 0.082 0.000 2.401 249 L HA 0.510 4.850 4.340 0.000 0.000 0.266 249 L C -2.455 174.437 176.870 0.036 0.000 0.991 249 L CA -1.873 53.007 54.840 0.066 0.000 0.818 249 L CB 2.555 44.655 42.059 0.069 0.000 1.321 249 L HN 0.346 nan 8.230 nan 0.000 0.413 250 P HA 0.173 nan 4.420 nan 0.000 0.273 250 P C 0.646 177.945 177.300 -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 2.717 123.940 121.223 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 1.317 56.156 54.840 -0.002 0.000 0.759 251 L CB -0.554 41.506 42.059 0.002 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.391 120.160 120.570 -0.033 0.000 2.233 252 I HA -0.235 3.935 4.170 0.000 0.000 0.243 252 I C 2.118 178.188 176.117 -0.078 0.000 1.093 252 I CA 1.039 62.305 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 2.197 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.457 55.407 54.000 -0.082 0.000 0.834 253 D CB -0.398 40.372 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.054 121.272 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 0.000 0.000 0.224 254 L C 1.506 178.393 176.870 0.029 0.000 1.145 254 L CA 0.546 55.400 54.840 0.023 0.000 0.834 254 L CB 0.024 42.099 42.059 0.026 0.000 0.944 254 L HN -0.119 nan 8.230 nan 0.000 0.451 255 S N -1.635 114.065 115.700 0.001 0.000 2.554 255 S HA 0.121 4.591 4.470 0.000 0.000 0.226 255 S C 0.556 175.147 174.600 -0.015 0.000 0.980 255 S CA -0.150 58.052 58.200 0.003 0.000 0.939 255 S CB 0.415 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 2.494 117.029 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 0.000 0.000 0.281 256 T C -0.465 174.227 174.700 -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 70.051 68.868 -0.180 0.000 0.983 256 T HN 0.091 nan 8.240 nan 0.000 0.455 257 L N 2.967 124.181 121.223 -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 0.846 42.759 42.059 -0.243 0.000 1.214 257 L HN 0.626 nan 8.230 nan 0.000 0.426 258 Y N 4.041 124.395 120.300 0.090 0.000 2.388 258 Y HA 0.489 5.039 4.550 0.000 0.000 0.328 258 Y C -0.931 174.925 175.900 -0.074 0.000 0.963 258 Y CA -1.130 57.073 58.100 0.171 0.000 1.240 258 Y CB 0.653 39.348 38.460 0.392 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.024 123.276 118.700 -0.747 0.000 2.265 259 N HA 0.539 5.279 4.740 0.000 0.000 0.300 259 N C -1.898 173.096 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.281 40.269 38.487 -0.831 0.000 1.434 259 N HN 0.477 nan 8.380 nan 0.000 0.481 260 L N 0.769 121.698 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 0.000 0.000 0.276 260 L C 0.118 176.985 176.870 -0.005 0.000 1.006 260 L CA -0.186 54.542 54.840 -0.187 0.000 0.817 260 L CB 1.289 43.218 42.059 -0.216 0.000 1.272 260 L HN 0.452 nan 8.230 nan 0.000 0.421 261 E N 1.745 122.080 120.200 0.224 0.000 2.390 261 E HA 0.444 4.794 4.350 0.000 0.000 0.277 261 E C -1.416 175.283 176.600 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 0.642 nan 8.360 nan 0.000 0.450 262 N N 0.308 119.040 118.700 0.052 0.000 2.381 262 N HA 0.573 5.313 4.740 0.000 0.000 0.294 262 N C -1.142 174.400 175.510 0.054 0.000 1.216 262 N CA -0.620 52.389 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 -1.496 114.235 115.700 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 64.213 63.200 0.169 0.000 1.139 263 S HN 1.077 nan 8.310 nan 0.000 0.472 264 A N 1.835 124.721 122.820 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 -0.581 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 0.652 nan 8.150 nan 0.000 0.418 265 Q N 0.078 119.980 119.800 0.171 0.000 2.359 265 Q HA 0.721 5.061 4.340 0.000 0.000 0.274 265 Q C -0.705 175.453 176.000 0.263 0.000 1.074 265 Q CA -0.602 55.348 55.803 0.245 0.000 0.810 265 Q CB 2.530 31.464 28.738 0.326 0.000 1.342 265 Q HN 1.102 nan 8.270 nan 0.000 0.427 266 A N -0.428 122.553 122.820 0.268 0.000 2.486 266 A HA 0.914 5.234 4.320 0.000 0.000 0.289 266 A C 0.223 177.916 177.584 0.182 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.598 20.630 19.000 0.054 0.000 1.337 266 A HN 1.019 nan 8.150 nan 0.000 0.423 267 G N -0.976 107.819 108.800 -0.008 0.000 2.155 267 G HA2 0.016 3.976 3.960 0.000 0.000 0.135 267 G HA3 0.016 3.976 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 0.099 0.000 0.688 267 G HN 0.776 nan 8.290 nan 0.000 0.499 268 L N 1.446 122.441 121.223 -0.380 0.000 2.371 268 L HA 0.711 5.051 4.340 0.000 0.000 0.272 268 L C 0.565 177.345 176.870 -0.150 0.000 1.124 268 L CA 0.218 54.805 54.840 -0.421 0.000 0.816 268 L CB 1.508 43.186 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.897 116.398 114.554 -0.089 0.000 2.916 269 T HA 0.378 4.728 4.350 0.000 0.000 0.298 269 T C -2.667 172.002 174.700 -0.053 0.000 1.031 269 T CA -1.467 60.605 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 0.353 177.625 177.300 -0.046 0.000 1.173 270 P CA 0.480 63.555 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 -0.865 117.794 118.700 -0.068 0.000 2.753 271 N HA -0.145 4.595 4.740 0.000 0.000 0.251 271 N C -0.604 174.871 175.510 -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 36.806 38.487 -0.028 0.000 1.137 271 N HN 0.181 nan 8.380 nan 0.000 0.566 272 V N 0.800 120.674 119.914 -0.066 0.000 2.555 272 V HA 0.239 4.359 4.120 0.000 0.000 0.302 272 V C 0.084 176.147 176.094 -0.052 0.000 1.038 272 V CA -0.865 61.414 62.300 -0.036 0.000 0.887 272 V CB 2.193 34.013 31.823 -0.005 0.000 0.991 272 V HN -0.057 nan 8.190 nan 0.000 0.434 273 D N 3.230 123.609 120.400 -0.034 0.000 2.434 273 D HA 0.133 4.773 4.640 0.000 0.000 0.252 273 D C -0.579 175.731 176.300 0.017 0.000 1.185 273 D CA 0.491 54.465 54.000 -0.042 0.000 0.886 273 D CB 0.425 41.223 40.800 -0.003 0.000 1.148 273 D HN 0.344 nan 8.370 nan 0.000 0.483 274 F N 3.626 123.481 119.950 -0.160 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.727 175.015 175.800 -0.098 0.000 1.122 274 F CA -0.792 57.131 58.000 -0.129 0.000 1.090 274 F CB 0.790 39.686 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.893 126.521 119.914 -0.476 0.000 2.417 275 V HA 0.422 4.542 4.120 0.000 0.000 0.291 275 V C -0.581 175.252 176.094 -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 5.305 125.072 119.914 -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 1.166 32.927 31.823 -0.103 0.000 0.999 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 Q N 3.258 122.944 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 0.000 0.000 0.260 277 Q C -1.168 174.686 176.000 -0.244 0.000 0.976 277 Q CA -0.062 55.653 55.803 -0.147 0.000 0.881 277 Q CB 0.998 29.676 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.359 120.548 120.300 -0.185 0.000 2.310 278 Y HA 0.378 4.928 4.550 0.000 0.000 0.326 278 Y C 0.516 176.305 175.900 -0.185 0.000 1.151 278 Y CA -0.530 57.351 58.100 -0.365 0.000 1.195 278 Y CB 1.031 39.200 38.460 -0.484 0.000 1.210 278 Y HN 0.670 nan 8.280 nan 0.000 0.483 279 A N 2.684 125.523 122.820 0.032 0.000 2.296 279 A HA 0.366 4.686 4.320 0.000 0.000 0.264 279 A C -0.200 177.367 177.584 -0.027 0.000 1.097 279 A CA -0.766 51.224 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 -1.220 117.393 118.700 -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 -0.039 52.929 53.050 -0.137 0.000 0.972 280 N CB 0.878 39.275 38.487 -0.151 0.000 1.210 280 N HN 1.347 nan 8.380 nan 0.000 0.547 281 L N -3.577 117.615 121.223 -0.052 0.000 3.121 281 L HA -0.223 4.117 4.340 0.000 0.000 0.404 281 L C -1.057 176.092 176.870 0.465 0.000 0.695 281 L CA 1.670 56.625 54.840 0.192 0.000 3.096 281 L CB -1.592 40.505 42.059 0.063 0.000 0.683 281 L HN 0.633 nan 8.230 nan 0.000 0.743 282 Y N 2.154 122.472 120.300 0.030 0.000 2.309 282 Y HA 0.546 5.096 4.550 0.000 0.000 0.327 282 Y C 1.064 176.972 175.900 0.014 0.000 1.172 282 Y CA -0.596 57.381 58.100 -0.205 0.000 1.280 282 Y CB 0.409 38.275 38.460 -0.990 0.000 1.234 282 Y HN 0.180 nan 8.280 nan 0.000 0.512 283 R N 3.680 124.277 120.500 0.162 0.000 2.233 283 R HA 0.241 4.581 4.340 0.000 0.000 0.334 283 R C -1.481 174.899 176.300 0.132 0.000 1.037 283 R CA -0.580 55.619 56.100 0.165 0.000 0.920 283 R CB 0.192 30.525 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.161 123.588 120.300 0.213 0.000 2.486 284 Y HA 0.041 4.591 4.550 0.000 0.000 0.348 284 Y C 1.454 177.435 175.900 0.136 0.000 1.000 284 Y CA -0.235 58.006 58.100 0.235 0.000 1.253 284 Y CB 0.639 39.258 38.460 0.264 0.000 1.140 284 Y HN 0.452 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 0.766 177.760 176.870 0.207 0.000 1.094 285 L CA 0.602 55.517 54.840 0.125 0.000 0.790 285 L CB -0.120 41.931 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.983 113.899 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 0.000 0.000 0.270 286 S C -0.612 174.187 174.600 0.332 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 0.328 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 0.609 4.959 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 0.168 0.000 0.997 287 T HN 0.659 nan 8.240 nan 0.000 0.443 288 I N 2.291 122.777 120.570 -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 60.302 61.300 -0.052 0.000 1.093 288 I CB 1.739 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 6.361 129.108 122.820 -0.122 0.000 2.335 289 A HA 0.748 5.068 4.320 0.000 0.000 0.304 289 A C -1.085 176.604 177.584 0.176 0.000 1.118 289 A CA -0.476 51.503 52.037 -0.097 0.000 0.757 289 A CB 1.383 20.213 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.343 123.388 119.914 0.218 0.000 2.370 290 V HA 0.306 4.426 4.120 0.000 0.000 0.283 290 V C -0.656 175.654 176.094 0.361 0.000 1.023 290 V CA -0.381 62.095 62.300 0.293 0.000 0.857 290 V CB 1.171 33.134 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 0.467 176.173 175.800 -0.157 0.000 1.178 291 F CA -1.823 56.205 58.000 0.046 0.000 1.210 291 F CB 0.143 39.187 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 0.002 0.000 2.435 292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 292 D C -0.061 175.914 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.517 0.000 0.947 292 D CB -0.318 40.424 40.800 -0.097 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.855 120.980 118.700 -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 -0.469 37.305 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.805 109.408 108.800 -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 -0.214 0.000 1.055 294 G CA 0.504 45.478 45.100 -0.210 0.000 0.922 294 G HN 1.094 nan 8.290 nan 0.000 0.503 295 G N -2.328 106.301 108.800 -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 0.463 175.231 174.900 -0.220 0.000 0.984 295 G CA 0.695 45.695 45.100 -0.167 0.000 0.633 295 G HN 1.746 nan 8.290 nan 0.000 0.525 296 S N 0.074 115.513 115.700 -0.436 0.000 2.489 296 S HA 0.768 5.238 4.470 0.000 0.000 0.291 296 S C -0.820 173.375 174.600 -0.675 0.000 1.151 296 S CA -0.333 57.659 58.200 -0.347 0.000 1.082 296 S CB 0.905 63.939 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.978 122.826 119.950 -0.170 0.000 2.445 297 F HA 0.438 4.965 4.527 0.000 0.000 0.348 297 F C 0.461 176.202 175.800 -0.097 0.000 1.125 297 F CA -0.852 57.057 58.000 -0.150 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 1.426 120.128 118.700 0.002 0.000 2.430 298 N HA 0.512 5.252 4.740 0.000 0.000 0.298 298 N C -0.455 175.126 175.510 0.118 0.000 1.130 298 N CA -0.702 52.371 53.050 0.038 0.000 0.894 298 N CB 2.173 40.648 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.492 123.377 122.820 0.108 0.000 3.063 299 A HA 0.471 4.791 4.320 0.000 0.000 0.263 299 A C 1.326 179.022 177.584 0.186 0.000 1.736 299 A CA 0.277 52.396 52.037 0.135 0.000 1.408 299 A CB -1.396 17.663 19.000 0.097 0.000 1.108 299 A HN 0.906 nan 8.150 nan 0.000 0.621 300 G N 1.025 110.000 108.800 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 1.565 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 -0.718 113.903 114.554 0.112 0.000 3.051 301 T HA 0.072 4.422 4.350 0.000 0.000 0.269 301 T C 1.488 176.219 174.700 0.053 0.000 1.127 301 T CA 1.796 63.937 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 0.365 120.809 120.400 0.073 0.000 2.368 302 D HA 0.231 4.871 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 0.627 176.693 176.117 -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 3.712 122.313 118.700 -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 1.387 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 -1.921 118.296 120.300 -0.138 0.000 2.713 305 Y HA 0.634 5.184 4.550 0.000 0.000 0.335 305 Y C -1.762 173.954 175.900 -0.306 0.000 1.222 305 Y CA -1.430 56.569 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 1.703 122.835 121.223 -0.152 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.094 176.629 176.870 -0.246 0.000 1.014 306 L CA -0.556 53.951 54.840 -0.554 0.000 0.820 306 L CB 2.199 43.420 42.059 -1.395 0.000 1.352 306 L HN 0.898 nan 8.230 nan 0.000 0.421 307 S N -0.169 115.301 115.700 -0.384 0.000 2.636 307 S HA 0.567 5.037 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 57.536 58.200 -0.049 0.000 0.815 307 S CB 1.540 64.750 63.200 0.015 0.000 1.119 307 S HN 0.579 nan 8.310 nan 0.000 0.470 308 Q N 1.159 120.960 119.800 0.002 0.000 2.321 308 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 308 Q C -0.994 175.021 176.000 0.024 0.000 1.032 308 Q CA -0.596 55.235 55.803 0.046 0.000 0.784 308 Q CB 2.335 31.154 28.738 0.137 0.000 1.264 308 Q HN 0.557 nan 8.270 nan 0.000 0.448 309 R N 1.250 121.770 120.500 0.033 0.000 2.686 309 R HA 0.570 4.910 4.340 0.000 0.000 0.283 309 R C -1.292 175.018 176.300 0.017 0.000 0.978 309 R CA -0.305 55.799 56.100 0.008 0.000 0.897 309 R CB 1.958 32.256 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.254 116.803 114.554 -0.009 0.000 2.794 310 T HA 0.421 4.771 4.350 0.000 0.000 0.280 310 T C -0.287 174.410 174.700 -0.004 0.000 0.987 310 T CA -0.455 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.520 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 2.984 125.806 122.820 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 -1.631 17.367 19.000 -0.003 0.000 1.005 311 A HN 1.836 nan 8.150 nan 0.000 0.506 312 N N -1.078 117.617 118.700 -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 2.240 55.284 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 2.376 nan 8.380 nan 0.000 0.557 313 F N -1.645 118.291 119.950 -0.023 0.000 3.087 313 F HA 0.803 5.330 4.527 0.000 0.000 0.371 313 F C 1.467 177.237 175.800 -0.049 0.000 1.144 313 F CA 1.325 59.302 58.000 -0.038 0.000 1.030 313 F CB -0.438 38.531 39.000 -0.051 0.000 1.366 313 F HN 1.794 nan 8.300 nan 0.000 0.522 314 S N 0.105 115.782 115.700 -0.038 0.000 3.307 314 S HA -0.183 4.287 4.470 0.000 0.000 0.634 314 S C -0.547 174.026 174.600 -0.046 0.000 2.711 314 S CA 0.839 59.014 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 0.331 4.971 4.640 0.000 0.000 0.251 315 D C 1.215 177.484 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.595 54.000 -0.048 0.000 0.876 315 D CB 1.252 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 -0.714 113.814 114.554 -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 -0.261 61.807 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 0.110 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 3.356 124.686 121.223 0.178 0.000 2.388 319 L HA 0.330 4.670 4.340 0.000 0.000 0.264 319 L C -0.442 176.561 176.870 0.221 0.000 0.998 319 L CA -1.364 53.600 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 0.588 121.091 120.400 0.171 0.000 2.368 320 D HA 0.130 4.770 4.640 0.000 0.000 0.240 320 D C -2.115 174.299 176.300 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 41.501 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 1.516 64.725 63.100 0.182 0.000 0.858 321 P CB 0.076 31.853 31.700 0.127 0.000 0.789 322 K N -0.943 119.587 120.400 0.218 0.000 2.097 322 K HA -0.090 4.230 4.320 0.000 0.000 0.205 322 K C 1.741 178.466 176.600 0.208 0.000 1.050 322 K CA 1.651 58.059 56.287 0.201 0.000 0.938 322 K CB -0.430 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 0.457 115.132 114.554 0.201 0.000 2.904 323 T HA -0.147 4.203 4.350 0.000 0.000 0.267 323 T C 1.144 175.977 174.700 0.222 0.000 1.059 323 T CA 0.819 63.022 62.100 0.172 0.000 1.137 323 T CB -0.206 68.743 68.868 0.136 0.000 0.879 323 T HN 0.446 nan 8.240 nan 0.000 0.467 324 W N 2.176 123.547 121.300 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 58.682 57.345 0.153 0.000 1.274 324 W CB -0.570 28.991 29.460 0.167 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.881 123.994 122.820 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 0.200 0.000 1.169 325 A CA 2.492 54.749 52.037 0.367 0.000 0.635 325 A CB -1.199 17.992 19.000 0.318 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.837 122.075 122.820 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 -0.633 119.177 119.800 0.016 0.000 2.124 327 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 327 Q C 2.146 178.163 176.000 0.028 0.000 0.977 327 Q CA 1.995 57.777 55.803 -0.034 0.000 0.850 327 Q CB -0.917 27.717 28.738 -0.174 0.000 0.901 327 Q HN 0.655 nan 8.270 nan 0.000 0.429 328 T N 1.010 115.618 114.554 0.089 0.000 2.821 328 T HA -0.072 4.278 4.350 0.000 0.000 0.267 328 T C 1.804 176.567 174.700 0.105 0.000 1.046 328 T CA 0.741 62.967 62.100 0.210 0.000 1.139 328 T CB -0.062 69.025 68.868 0.365 0.000 0.871 328 T HN 0.255 nan 8.240 nan 0.000 0.454 329 R N 0.728 121.269 120.500 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 56.895 56.100 0.018 0.000 0.982 329 R CB -0.081 30.234 30.300 0.025 0.000 0.868 329 R HN 0.232 nan 8.270 nan 0.000 0.453 330 R N 0.172 120.688 120.500 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 0.020 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 0.429 120.958 120.500 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 -0.023 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 -3.947 116.568 120.570 -0.092 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.479 176.502 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.284 61.300 -0.182 0.000 1.124 332 I CB 0.882 38.638 38.000 -0.407 0.000 1.129 332 I HN -0.038 nan 8.210 nan 0.000 0.428 333 A N 0.255 123.017 122.820 -0.097 0.000 2.861 333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 333 A C 0.640 178.175 177.584 -0.082 0.000 1.351 333 A CA 1.681 53.674 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 -1.864 112.622 114.554 -0.114 0.000 2.654 334 T HA 0.492 4.842 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 0.130 62.166 62.100 -0.106 0.000 0.971 334 T CB 0.917 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 0.621 120.960 120.400 -0.101 0.000 2.181 335 D HA 0.530 5.170 4.640 0.000 0.000 0.248 335 D C -0.252 175.959 176.300 -0.149 0.000 1.020 335 D CA -0.115 53.847 54.000 -0.064 0.000 0.891 335 D CB 0.764 41.575 40.800 0.019 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 56.533 58.000 -0.243 0.000 1.241 336 F CB -0.215 38.535 39.000 -0.417 0.000 1.234 336 F HN 0.083 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 -0.292 62.865 63.100 0.096 0.000 0.794 337 P CB 0.312 32.163 31.700 0.252 0.000 0.959 338 K N 1.014 121.449 120.400 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 -0.732 31.825 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.193 110.002 108.800 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 -0.079 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 1.063 120.760 119.914 -0.362 0.000 2.350 340 V HA 0.641 4.761 4.120 0.000 0.000 0.276 340 V C -0.319 175.417 176.094 -0.597 0.000 1.028 340 V CA -0.801 61.294 62.300 -0.341 0.000 0.860 340 V CB 0.793 32.394 31.823 -0.370 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.303 124.654 120.300 0.084 0.000 2.364 341 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 341 Y C -0.470 175.625 175.900 0.325 0.000 0.975 341 Y CA -0.827 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.693 40.245 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.393 122.990 120.300 0.496 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.137 175.052 175.900 0.481 0.000 1.021 342 Y CA -1.805 56.486 58.100 0.319 0.000 1.079 342 Y CB 1.699 40.263 38.460 0.173 0.000 1.226 342 Y HN 0.805 nan 8.280 nan 0.000 0.460 343 C N 6.567 125.601 119.300 -0.443 0.000 2.516 343 C HA 0.373 4.833 4.460 0.000 0.000 0.338 343 C C -1.379 173.206 174.990 -0.675 0.000 1.132 343 C CA -0.690 58.120 59.018 -0.347 0.000 1.310 343 C CB 0.005 27.931 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 -0.522 0.000 2.274 344 D HA 0.326 4.966 4.640 0.000 0.000 0.239 344 D C 0.040 176.306 176.300 -0.058 0.000 1.104 344 D CA 0.233 54.103 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 3.381 122.092 118.700 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 0.709 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 0.482 121.027 120.500 0.076 0.000 2.081 346 R HA -0.041 4.299 4.340 0.000 0.000 0.235 346 R C 0.762 177.088 176.300 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 0.426 120.856 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.192 176.518 176.300 0.045 0.000 0.965 347 D CA 1.261 55.286 54.000 0.042 0.000 0.852 347 D CB 0.234 41.058 40.800 0.041 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.795 121.229 120.400 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 2.535 35.091 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 -0.090 177.308 177.300 0.163 0.000 1.195 349 P CA -0.204 62.964 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 3.826 124.480 120.570 0.140 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.026 176.267 176.117 0.293 0.000 1.134 350 I CA 0.400 61.742 61.300 0.070 0.000 1.410 350 I CB -1.181 36.602 38.000 -0.362 0.000 1.392 350 I HN 0.422 nan 8.210 nan 0.000 0.545 351 Y N 5.951 126.309 120.300 0.097 0.000 2.317 351 Y HA 0.125 4.675 4.550 0.000 0.000 0.329 351 Y C 1.257 177.192 175.900 0.060 0.000 1.101 351 Y CA -0.960 57.201 58.100 0.101 0.000 1.228 351 Y CB 1.241 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 -0.076 114.359 114.554 -0.199 0.000 2.778 352 T HA -0.234 4.116 4.350 0.000 0.000 0.269 352 T C 1.776 176.269 174.700 -0.345 0.000 1.050 352 T CA 1.863 63.839 62.100 -0.206 0.000 1.137 352 T CB -0.765 68.020 68.868 -0.139 0.000 0.860 352 T HN 0.707 nan 8.240 nan 0.000 0.468 353 L N 0.356 121.135 121.223 -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 1.345 55.852 54.840 -0.554 0.000 0.962 353 L CB -1.692 39.967 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.338 117.286 119.800 -0.293 0.000 2.519 354 Q HA 0.116 4.456 4.340 0.000 0.000 0.248 354 Q C 0.080 175.802 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.859 55.803 -0.314 0.000 0.979 354 Q CB 0.969 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 0.265 120.549 120.300 -0.026 0.000 2.712 355 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 355 Y C 0.498 176.376 175.900 -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 1.190 110.020 108.800 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 -0.046 174.864 174.900 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 -0.041 175.492 175.510 0.039 0.000 1.362 357 N CA 0.141 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 1.205 121.163 119.914 0.073 0.000 2.628 358 V HA 0.741 4.861 4.120 0.000 0.000 0.306 358 V C 0.716 176.969 176.094 0.266 0.000 1.045 358 V CA -0.752 61.618 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 1.804 110.748 108.800 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 -1.854 173.211 174.900 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 1.778 121.747 119.950 0.031 0.000 2.408 360 F HA 0.645 5.172 4.527 0.000 0.000 0.344 360 F C -0.261 175.521 175.800 -0.030 0.000 1.112 360 F CA -0.512 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 6.499 126.100 119.914 -0.522 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.861 174.989 176.094 -0.407 0.000 1.038 361 V CA -0.876 61.239 62.300 -0.308 0.000 0.887 361 V CB 1.654 33.379 31.823 -0.163 0.000 0.991 361 V HN 0.564 nan 8.190 nan 0.000 0.434 362 V N 3.946 123.728 119.914 -0.220 0.000 2.482 362 V HA 0.439 4.559 4.120 0.000 0.000 0.295 362 V C -0.366 175.512 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.332 0.000 0.856 362 V CB 1.932 33.585 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 -2.722 172.494 175.510 -0.491 0.000 0.984 363 N CA -1.612 51.071 53.050 -0.613 0.000 0.935 363 N CB 2.466 40.272 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 2.069 33.628 31.700 -0.235 0.000 0.933 365 K N 1.473 121.846 120.400 -0.044 0.000 2.202 365 K HA 0.091 4.411 4.320 0.000 0.000 0.201 365 K C -0.007 176.592 176.600 -0.001 0.000 1.051 365 K CA 0.913 57.185 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 0.914 115.489 114.554 0.035 0.000 2.881 366 T HA 0.415 4.765 4.350 0.000 0.000 0.290 366 T C -1.458 173.275 174.700 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 4.589 124.514 119.914 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 1.483 33.315 31.823 0.016 0.000 1.003 367 V HN 0.764 nan 8.190 nan 0.000 0.426 368 N N 2.369 121.016 118.700 -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 0.736 39.133 38.487 -0.149 0.000 1.210 368 N HN 0.771 nan 8.380 nan 0.000 0.547 369 Q N 0.526 120.285 119.800 -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 0.200 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 -1.237 174.243 175.510 -0.051 0.000 1.111 370 N CA 0.942 53.970 53.050 -0.037 0.000 0.711 370 N CB -1.671 36.797 38.487 -0.032 0.000 1.065 370 N HN 0.632 nan 8.380 nan 0.000 0.556 371 A N 0.804 123.592 122.820 -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 0.218 52.236 52.037 -0.032 0.000 0.794 371 A CB 0.629 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 0.653 121.177 120.500 0.040 0.000 2.728 372 R HA 0.595 4.935 4.340 0.000 0.000 0.274 372 R C -2.135 174.221 176.300 0.095 0.000 1.032 372 R CA -0.934 55.173 56.100 0.012 0.000 0.866 372 R CB 0.812 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 2.464 123.727 121.223 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 -1.054 53.860 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 4.729 126.075 121.223 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 54.709 54.840 0.256 0.000 0.820 374 L CB 1.150 43.481 42.059 0.454 0.000 1.204 374 L HN 0.484 nan 8.230 nan 0.000 0.424 375 M N 2.440 122.038 119.600 -0.003 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 54.732 55.300 -0.304 0.000 1.068 375 M CB 1.462 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 2.527 110.856 108.800 -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 -2.019 172.418 174.900 -0.771 0.000 1.387 376 G CA -0.256 44.163 45.100 -1.133 0.000 0.982 376 G HN 0.555 nan 8.290 nan 0.000 0.501 377 Y N 0.168 120.475 120.300 0.011 0.000 2.499 377 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 377 Y C 0.277 176.419 175.900 0.404 0.000 0.987 377 Y CA -0.954 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 2.450 122.973 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 0.000 0.000 0.267 378 E C -1.771 174.986 176.600 0.262 0.000 0.893 378 E CA -0.708 55.848 56.400 0.260 0.000 0.761 378 E CB 1.495 31.380 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.294 121.591 120.300 -0.005 0.000 2.670 379 Y HA 0.626 5.176 4.550 0.000 0.000 0.334 379 Y C -1.843 173.999 175.900 -0.097 0.000 1.185 379 Y CA -1.447 56.559 58.100 -0.157 0.000 1.053 379 Y CB 0.731 38.953 38.460 -0.397 0.000 1.298 379 Y HN 0.185 nan 8.280 nan 0.000 0.459 380 F N 0.631 120.684 119.950 0.171 0.000 2.522 380 F HA 0.810 5.337 4.527 0.000 0.000 0.324 380 F C 0.180 176.029 175.800 0.083 0.000 1.077 380 F CA -0.885 57.161 58.000 0.077 0.000 0.944 380 F CB 2.197 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 0.768 115.461 114.554 0.232 0.000 2.886 381 T HA 0.407 4.757 4.350 0.000 0.000 0.330 381 T C -1.069 173.671 174.700 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 0.046 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.256 117.997 115.700 0.067 0.000 2.564 382 S HA 0.241 4.711 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 -0.570 57.649 58.200 0.031 0.000 1.048 382 S CB 0.931 64.153 63.200 0.037 0.000 0.900 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 1.137 121.642 120.500 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 1.453 57.557 56.100 0.005 0.000 0.976 383 R CB -0.453 29.850 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