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 1hb7_1_D DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 0.000 176.872 176.870 0.003 0.000 1.165 15 L CA 0.000 54.843 54.840 0.005 0.000 0.813 15 L CB 0.000 42.062 42.059 0.005 0.000 0.961 16 R N 0.142 120.644 120.500 0.003 0.000 2.366 16 R HA 0.244 4.584 4.340 0.000 0.000 0.201 16 R C 1.591 177.890 176.300 -0.001 0.000 1.057 16 R CA 2.227 58.328 56.100 0.001 0.000 1.086 16 R CB -1.966 28.336 30.300 0.003 0.000 0.914 16 R HN 1.969 nan 8.270 nan 0.000 0.476 17 N N -0.453 118.246 118.700 -0.002 0.000 2.135 17 N HA -0.173 4.567 4.740 0.000 0.000 0.186 17 N C 2.489 177.993 175.510 -0.009 0.000 1.027 17 N CA 1.922 54.968 53.050 -0.006 0.000 0.849 17 N CB -0.759 37.725 38.487 -0.005 0.000 1.002 17 N HN 0.745 nan 8.380 nan 0.000 0.425 18 Q N 0.241 120.036 119.800 -0.007 0.000 2.133 18 Q HA -0.327 4.013 4.340 0.000 0.000 0.208 18 Q C 2.140 178.135 176.000 -0.009 0.000 0.991 18 Q CA 2.251 58.049 55.803 -0.009 0.000 0.867 18 Q CB -1.080 27.654 28.738 -0.006 0.000 0.911 18 Q HN 0.955 nan 8.270 nan 0.000 0.417 19 Q N -0.544 119.252 119.800 -0.006 0.000 2.079 19 Q HA 0.060 4.400 4.340 0.000 0.000 0.200 19 Q C 2.567 178.563 176.000 -0.007 0.000 0.974 19 Q CA 1.206 57.006 55.803 -0.005 0.000 0.840 19 Q CB -0.240 28.497 28.738 -0.002 0.000 0.898 19 Q HN 0.724 nan 8.270 nan 0.000 0.430 20 A N 1.262 124.078 122.820 -0.008 0.000 1.877 20 A HA -0.172 4.148 4.320 0.000 0.000 0.216 20 A C 2.141 179.715 177.584 -0.018 0.000 1.186 20 A CA 1.464 53.495 52.037 -0.011 0.000 0.620 20 A CB -0.512 18.481 19.000 -0.011 0.000 0.822 20 A HN 0.269 nan 8.150 nan 0.000 0.443 21 M N -0.602 118.985 119.600 -0.022 0.000 2.132 21 M HA -0.109 4.371 4.480 0.000 0.000 0.263 21 M C 2.558 178.843 176.300 -0.026 0.000 1.065 21 M CA 1.347 56.628 55.300 -0.031 0.000 1.122 21 M CB -0.517 32.063 32.600 -0.034 0.000 1.365 21 M HN 0.479 nan 8.290 nan 0.000 0.411 22 A N 0.665 123.474 122.820 -0.018 0.000 1.902 22 A HA -0.065 4.255 4.320 0.000 0.000 0.217 22 A C 2.399 179.976 177.584 -0.012 0.000 1.181 22 A CA 2.042 54.070 52.037 -0.014 0.000 0.623 22 A CB -0.896 18.099 19.000 -0.010 0.000 0.818 22 A HN 0.492 nan 8.150 nan 0.000 0.443 23 A N 0.215 123.029 122.820 -0.010 0.000 1.873 23 A HA -0.195 4.125 4.320 0.000 0.000 0.215 23 A C 1.959 179.537 177.584 -0.009 0.000 1.186 23 A CA 2.047 54.080 52.037 -0.006 0.000 0.616 23 A CB -0.848 18.151 19.000 -0.003 0.000 0.823 23 A HN 0.656 nan 8.150 nan 0.000 0.442 24 N N -0.271 118.419 118.700 -0.016 0.000 2.036 24 N HA -0.199 4.541 4.740 0.000 0.000 0.195 24 N C 1.583 177.078 175.510 -0.025 0.000 1.037 24 N CA 1.899 54.935 53.050 -0.023 0.000 0.855 24 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 24 N HN 0.293 nan 8.380 nan 0.000 0.423 25 L N 1.091 122.297 121.223 -0.028 0.000 2.079 25 L HA -0.135 4.205 4.340 0.000 0.000 0.210 25 L C 2.338 179.197 176.870 -0.018 0.000 1.081 25 L CA 1.784 56.608 54.840 -0.027 0.000 0.752 25 L CB -1.154 40.889 42.059 -0.027 0.000 0.896 25 L HN 0.432 nan 8.230 nan 0.000 0.433 26 Q N -0.917 118.875 119.800 -0.013 0.000 2.079 26 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 26 Q C 2.118 178.116 176.000 -0.005 0.000 0.974 26 Q CA 1.712 57.511 55.803 -0.007 0.000 0.840 26 Q CB -0.180 28.556 28.738 -0.003 0.000 0.898 26 Q HN 0.624 nan 8.270 nan 0.000 0.430 27 A N 1.350 124.168 122.820 -0.004 0.000 1.933 27 A HA -0.209 4.111 4.320 0.000 0.000 0.218 27 A C 2.134 179.714 177.584 -0.006 0.000 1.175 27 A CA 1.464 53.501 52.037 0.000 0.000 0.628 27 A CB -0.680 18.322 19.000 0.004 0.000 0.814 27 A HN 0.436 nan 8.150 nan 0.000 0.444 28 R N -0.278 120.214 120.500 -0.013 0.000 2.073 28 R HA -0.187 4.153 4.340 0.000 0.000 0.234 28 R C 2.287 178.577 176.300 -0.016 0.000 1.134 28 R CA 1.878 57.967 56.100 -0.018 0.000 0.952 28 R CB -0.358 29.928 30.300 -0.024 0.000 0.850 28 R HN 0.695 nan 8.270 nan 0.000 0.433 29 Q N 0.103 119.894 119.800 -0.014 0.000 2.124 29 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 29 Q C 2.275 178.269 176.000 -0.010 0.000 0.977 29 Q CA 1.534 57.329 55.803 -0.013 0.000 0.850 29 Q CB -0.094 28.637 28.738 -0.011 0.000 0.901 29 Q HN 0.475 nan 8.270 nan 0.000 0.429 30 I N 0.169 120.736 120.570 -0.005 0.000 2.252 30 I HA -0.232 3.938 4.170 0.000 0.000 0.245 30 I C 2.308 178.424 176.117 -0.002 0.000 1.102 30 I CA 0.745 62.046 61.300 0.001 0.000 1.385 30 I CB -0.267 37.738 38.000 0.009 0.000 1.064 30 I HN 0.008 nan 8.210 nan 0.000 0.414 31 V N 1.202 121.111 119.914 -0.009 0.000 2.295 31 V HA -0.276 3.844 4.120 0.000 0.000 0.246 31 V C 2.406 178.487 176.094 -0.022 0.000 1.049 31 V CA 1.762 64.050 62.300 -0.019 0.000 1.024 31 V CB -0.437 31.369 31.823 -0.027 0.000 0.648 31 V HN 0.360 nan 8.190 nan 0.000 0.447 32 L N -0.371 120.837 121.223 -0.025 0.000 2.083 32 L HA -0.238 4.102 4.340 0.000 0.000 0.209 32 L C 2.623 179.472 176.870 -0.034 0.000 1.083 32 L CA 1.985 56.803 54.840 -0.036 0.000 0.752 32 L CB -0.562 41.475 42.059 -0.036 0.000 0.899 32 L HN 0.439 nan 8.230 nan 0.000 0.433 33 Q N -0.604 119.185 119.800 -0.019 0.000 2.083 33 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 33 Q C 2.164 178.167 176.000 0.006 0.000 0.969 33 Q CA 1.136 56.934 55.803 -0.009 0.000 0.838 33 Q CB 0.214 28.950 28.738 -0.003 0.000 0.900 33 Q HN 0.458 nan 8.270 nan 0.000 0.436 34 Q N 0.298 120.104 119.800 0.010 0.000 2.250 34 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 34 Q C 1.238 177.263 176.000 0.043 0.000 0.941 34 Q CA 0.747 56.566 55.803 0.028 0.000 0.872 34 Q CB 0.430 29.183 28.738 0.026 0.000 0.965 34 Q HN 0.346 nan 8.270 nan 0.000 0.480 35 S N -0.564 115.150 115.700 0.024 0.000 2.634 35 S HA 0.320 4.790 4.470 0.000 0.000 0.261 35 S C -0.581 174.064 174.600 0.075 0.000 1.271 35 S CA -0.633 57.593 58.200 0.042 0.000 0.985 35 S CB 0.782 63.985 63.200 0.004 0.000 0.968 35 S HN 0.205 nan 8.310 nan 0.000 0.568 36 Y N 0.844 121.123 120.300 -0.034 0.000 2.391 36 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 36 Y C -2.829 173.015 175.900 -0.093 0.000 0.965 36 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 36 Y CB 1.906 40.342 38.460 -0.041 0.000 1.199 36 Y HN 0.517 nan 8.280 nan 0.000 0.450 37 P HA 0.234 nan 4.420 nan 0.000 0.276 37 P C -1.401 175.743 177.300 -0.260 0.000 1.230 37 P CA 0.030 62.913 63.100 -0.362 0.000 0.776 37 P CB 1.057 32.517 31.700 -0.400 0.000 0.888 38 V N 4.733 124.433 119.914 -0.357 0.000 2.760 38 V HA 0.466 4.586 4.120 0.000 0.000 0.309 38 V C -0.276 175.628 176.094 -0.317 0.000 1.077 38 V CA -0.633 61.449 62.300 -0.363 0.000 0.910 38 V CB 2.344 33.753 31.823 -0.689 0.000 1.008 38 V HN 0.472 nan 8.190 nan 0.000 0.424 39 I N 3.703 124.225 120.570 -0.079 0.000 2.418 39 I HA 0.627 4.797 4.170 0.000 0.000 0.287 39 I C -0.745 175.490 176.117 0.196 0.000 1.008 39 I CA -0.094 61.251 61.300 0.074 0.000 1.104 39 I CB 1.520 39.556 38.000 0.060 0.000 1.264 39 I HN 0.844 nan 8.210 nan 0.000 0.438 40 Q N 6.680 126.684 119.800 0.340 0.000 2.331 40 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 40 Q C -1.442 174.783 176.000 0.376 0.000 1.062 40 Q CA -0.755 55.269 55.803 0.368 0.000 0.806 40 Q CB 2.244 31.198 28.738 0.360 0.000 1.312 40 Q HN 0.729 nan 8.270 nan 0.000 0.431 41 Q N 2.045 121.999 119.800 0.257 0.000 2.311 41 Q HA 0.165 4.505 4.340 0.000 0.000 0.272 41 Q C 0.204 176.216 176.000 0.019 0.000 1.012 41 Q CA 0.179 55.928 55.803 -0.091 0.000 0.891 41 Q CB 0.977 29.585 28.738 -0.217 0.000 1.201 41 Q HN 0.644 nan 8.270 nan 0.000 0.391 42 V N 0.087 120.007 119.914 0.011 0.000 3.572 42 V HA 0.430 4.550 4.120 0.000 0.000 0.260 42 V C 0.074 176.182 176.094 0.023 0.000 1.324 42 V CA 0.427 62.763 62.300 0.060 0.000 1.068 42 V CB 0.403 32.303 31.823 0.128 0.000 0.837 42 V HN 0.834 nan 8.190 nan 0.000 0.450 43 E N -0.622 119.569 120.200 -0.014 0.000 2.400 43 E HA 0.520 4.870 4.350 0.000 0.000 0.285 43 E C -1.581 174.962 176.600 -0.094 0.000 1.005 43 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 43 E CB 2.194 31.937 29.700 0.071 0.000 1.220 43 E HN 0.270 nan 8.360 nan 0.000 0.426 44 T N 2.554 116.989 114.554 -0.198 0.000 2.909 44 T HA 0.559 4.909 4.350 0.000 0.000 0.299 44 T C -1.393 173.005 174.700 -0.504 0.000 1.073 44 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 44 T CB 1.780 70.514 68.868 -0.223 0.000 1.098 44 T HN 0.475 nan 8.240 nan 0.000 0.477 45 Q N 0.788 120.105 119.800 -0.805 0.000 2.438 45 Q HA 0.554 4.894 4.340 0.000 0.000 0.272 45 Q C -1.825 173.879 176.000 -0.493 0.000 0.994 45 Q CA -0.583 54.825 55.803 -0.659 0.000 0.887 45 Q CB 1.928 30.167 28.738 -0.832 0.000 1.432 45 Q HN 0.657 nan 8.270 nan 0.000 0.392 46 T N 3.627 118.050 114.554 -0.217 0.000 2.841 46 T HA 0.814 5.164 4.350 0.000 0.000 0.283 46 T C -1.157 173.562 174.700 0.031 0.000 1.000 46 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 46 T CB 0.467 69.252 68.868 -0.138 0.000 0.979 46 T HN 0.475 nan 8.240 nan 0.000 0.446 47 F N -0.492 119.363 119.950 -0.158 0.000 2.745 47 F HA 0.741 5.268 4.527 0.000 0.000 0.316 47 F C -1.729 174.054 175.800 -0.028 0.000 1.155 47 F CA -1.262 56.711 58.000 -0.046 0.000 0.937 47 F CB 1.244 40.283 39.000 0.065 0.000 1.361 47 F HN 0.330 nan 8.300 nan 0.000 0.472 48 D N 1.379 121.861 120.400 0.137 0.000 2.381 48 D HA 0.426 5.066 4.640 0.000 0.000 0.235 48 D C -2.170 174.267 176.300 0.229 0.000 1.068 48 D CA -2.408 51.624 54.000 0.052 0.000 0.832 48 D CB 2.296 43.148 40.800 0.087 0.000 1.101 48 D HN 0.205 nan 8.370 nan 0.000 0.515 49 P HA -0.115 nan 4.420 nan 0.000 0.220 49 P C 0.903 178.329 177.300 0.211 0.000 1.144 49 P CA 0.995 64.233 63.100 0.231 0.000 0.800 49 P CB 0.312 32.020 31.700 0.014 0.000 0.772 50 A N -0.725 122.205 122.820 0.183 0.000 2.015 50 A HA -0.174 4.146 4.320 0.000 0.000 0.219 50 A C 2.057 179.714 177.584 0.122 0.000 1.163 50 A CA 1.582 53.708 52.037 0.149 0.000 0.646 50 A CB -0.827 18.251 19.000 0.129 0.000 0.806 50 A HN 0.163 nan 8.150 nan 0.000 0.448 51 N N -1.413 117.369 118.700 0.137 0.000 2.387 51 N HA 0.102 4.842 4.740 0.000 0.000 0.176 51 N C 0.750 176.300 175.510 0.067 0.000 1.022 51 N CA 0.577 53.687 53.050 0.100 0.000 0.883 51 N CB 0.203 38.756 38.487 0.110 0.000 1.019 51 N HN 0.558 nan 8.380 nan 0.000 0.435 52 R N -0.741 119.823 120.500 0.107 0.000 2.664 52 R HA 0.263 4.603 4.340 0.000 0.000 0.266 52 R C -0.925 175.374 176.300 -0.001 0.000 1.046 52 R CA -0.071 56.000 56.100 -0.049 0.000 0.885 52 R CB 0.734 30.893 30.300 -0.234 0.000 1.254 52 R HN 0.060 nan 8.270 nan 0.000 0.465 53 S N 0.103 115.723 115.700 -0.134 0.000 2.800 53 S HA 0.214 4.684 4.470 0.000 0.000 0.266 53 S C -0.676 173.938 174.600 0.024 0.000 1.029 53 S CA -0.319 57.933 58.200 0.085 0.000 1.302 53 S CB 0.857 64.183 63.200 0.210 0.000 1.212 53 S HN 0.146 nan 8.310 nan 0.000 0.683 54 V N 2.885 122.582 119.914 -0.362 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.341 174.367 176.094 -0.643 0.000 1.025 54 V CA -0.421 61.700 62.300 -0.298 0.000 0.859 54 V CB 0.991 32.681 31.823 -0.223 0.000 0.988 54 V HN 0.426 nan 8.190 nan 0.000 0.431 55 F N 2.145 122.023 119.950 -0.121 0.000 2.576 55 F HA 0.509 5.036 4.527 0.000 0.000 0.313 55 F C -0.070 175.649 175.800 -0.135 0.000 1.078 55 F CA -0.845 57.085 58.000 -0.117 0.000 0.921 55 F CB 1.965 40.910 39.000 -0.091 0.000 1.232 55 F HN 0.381 nan 8.300 nan 0.000 0.459 56 D N 2.592 123.028 120.400 0.059 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.178 175.129 176.300 0.010 0.000 1.073 56 D CA -0.085 53.905 54.000 -0.016 0.000 0.850 56 D CB 1.649 42.415 40.800 -0.056 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.363 123.256 119.914 -0.035 0.000 2.546 57 V HA 0.277 4.397 4.120 0.000 0.000 0.284 57 V C 0.685 176.741 176.094 -0.064 0.000 1.050 57 V CA -0.228 62.056 62.300 -0.027 0.000 0.981 57 V CB 1.685 33.462 31.823 -0.077 0.000 0.990 57 V HN 0.531 nan 8.190 nan 0.000 0.474 58 T N 7.270 121.810 114.554 -0.023 0.000 2.801 58 T HA 0.385 4.735 4.350 0.000 0.000 0.306 58 T C -2.333 172.372 174.700 0.009 0.000 1.020 58 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 58 T CB 1.200 70.063 68.868 -0.010 0.000 0.962 58 T HN 0.473 nan 8.240 nan 0.000 0.465 59 P HA 0.387 nan 4.420 nan 0.000 0.273 59 P C -0.713 176.646 177.300 0.098 0.000 1.250 59 P CA -0.563 62.622 63.100 0.141 0.000 0.793 59 P CB 0.473 32.360 31.700 0.311 0.000 1.011 60 A N 1.172 124.042 122.820 0.084 0.000 2.327 60 A HA 0.229 4.549 4.320 0.000 0.000 0.283 60 A C 0.012 177.572 177.584 -0.040 0.000 1.127 60 A CA -0.473 51.561 52.037 -0.004 0.000 0.810 60 A CB -0.380 18.585 19.000 -0.059 0.000 1.066 60 A HN 0.572 nan 8.150 nan 0.000 0.492 61 N N 0.919 119.597 118.700 -0.037 0.000 2.868 61 N HA 0.362 5.102 4.740 0.000 0.000 0.252 61 N C -1.164 174.298 175.510 -0.080 0.000 1.130 61 N CA -0.029 53.002 53.050 -0.033 0.000 1.026 61 N CB 0.933 39.421 38.487 0.000 0.000 1.335 61 N HN 0.391 nan 8.380 nan 0.000 0.516 62 V N 1.563 121.372 119.914 -0.176 0.000 2.733 62 V HA 0.676 4.796 4.120 0.000 0.000 0.306 62 V C 0.637 176.626 176.094 -0.175 0.000 1.084 62 V CA 0.174 62.347 62.300 -0.211 0.000 0.905 62 V CB 0.942 32.538 31.823 -0.379 0.000 1.010 62 V HN 0.759 nan 8.190 nan 0.000 0.424 63 G N 6.260 115.041 108.800 -0.032 0.000 2.594 63 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 63 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 63 G C -0.096 174.811 174.900 0.012 0.000 1.273 63 G CA 0.544 45.654 45.100 0.017 0.000 0.974 63 G HN 1.247 nan 8.290 nan 0.000 0.552 64 I N 0.764 121.362 120.570 0.047 0.000 2.312 64 I HA 0.374 4.544 4.170 0.000 0.000 0.290 64 I C 0.391 176.548 176.117 0.067 0.000 1.008 64 I CA -0.722 60.597 61.300 0.032 0.000 1.226 64 I CB 1.569 39.574 38.000 0.008 0.000 1.371 64 I HN 0.320 nan 8.210 nan 0.000 0.468 65 V N 7.703 127.628 119.914 0.018 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.923 176.956 176.094 -0.101 0.000 1.047 65 V CA -0.283 61.991 62.300 -0.044 0.000 0.955 65 V CB 1.116 32.867 31.823 -0.120 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.925 123.267 120.400 -0.097 0.000 2.276 66 K HA 0.458 4.778 4.320 0.000 0.000 0.198 66 K C 0.807 177.316 176.600 -0.152 0.000 1.052 66 K CA 0.722 56.991 56.287 -0.030 0.000 0.984 66 K CB 0.767 33.334 32.500 0.112 0.000 0.836 66 K HN 0.899 nan 8.250 nan 0.000 0.490 67 G N 0.221 108.713 108.800 -0.513 0.000 2.320 67 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 67 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 67 G C -1.975 172.058 174.900 -1.444 0.000 1.306 67 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 67 G HN -0.002 nan 8.290 nan 0.000 0.517 68 F N -0.455 118.893 119.950 -1.004 0.000 2.547 68 F HA 0.642 5.169 4.527 0.000 0.000 0.316 68 F C -0.226 175.437 175.800 -0.229 0.000 1.121 68 F CA -0.806 56.951 58.000 -0.405 0.000 0.911 68 F CB 2.397 41.260 39.000 -0.228 0.000 1.179 68 F HN 0.413 nan 8.300 nan 0.000 0.443 69 L N 4.619 126.096 121.223 0.425 0.000 2.265 69 L HA 0.699 5.039 4.340 0.000 0.000 0.289 69 L C -1.036 176.172 176.870 0.563 0.000 1.033 69 L CA -0.480 54.749 54.840 0.647 0.000 0.814 69 L CB 1.078 43.569 42.059 0.721 0.000 1.203 69 L HN 0.400 nan 8.230 nan 0.000 0.423 70 V N 5.642 125.852 119.914 0.493 0.000 2.347 70 V HA 0.400 4.520 4.120 0.000 0.000 0.280 70 V C 0.040 176.329 176.094 0.325 0.000 1.021 70 V CA -0.788 61.742 62.300 0.383 0.000 0.847 70 V CB 1.183 33.164 31.823 0.263 0.000 0.990 70 V HN 0.714 nan 8.190 nan 0.000 0.444 71 K N 4.283 124.790 120.400 0.179 0.000 2.211 71 K HA 0.704 5.024 4.320 0.000 0.000 0.275 71 K C -1.389 175.209 176.600 -0.003 0.000 1.024 71 K CA -0.388 55.749 56.287 -0.251 0.000 0.887 71 K CB 1.595 33.957 32.500 -0.230 0.000 1.084 71 K HN 0.504 nan 8.250 nan 0.000 0.463 72 V N 3.526 123.423 119.914 -0.028 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.378 175.747 176.094 0.052 0.000 1.034 72 V CA -0.833 61.551 62.300 0.141 0.000 0.865 72 V CB 1.672 33.705 31.823 0.351 0.000 0.995 72 V HN 1.000 nan 8.190 nan 0.000 0.424 73 T N 1.319 115.893 114.554 0.033 0.000 2.908 73 T HA 0.957 5.307 4.350 0.000 0.000 0.290 73 T C -0.491 174.226 174.700 0.028 0.000 1.034 73 T CA -0.541 61.577 62.100 0.030 0.000 1.010 73 T CB 2.271 71.143 68.868 0.008 0.000 1.068 73 T HN 1.354 nan 8.240 nan 0.000 0.481 74 A N 0.833 123.704 122.820 0.085 0.000 2.594 74 A HA 0.908 5.228 4.320 0.000 0.000 0.295 74 A C -0.951 176.724 177.584 0.152 0.000 1.071 74 A CA -0.807 51.312 52.037 0.135 0.000 0.685 74 A CB 1.271 20.456 19.000 0.308 0.000 1.285 74 A HN 1.657 nan 8.150 nan 0.000 0.405 75 A N 1.371 124.284 122.820 0.154 0.000 2.318 75 A HA 0.765 5.085 4.320 0.000 0.000 0.317 75 A C -0.831 176.819 177.584 0.110 0.000 1.159 75 A CA -0.288 51.808 52.037 0.098 0.000 0.799 75 A CB 0.366 19.394 19.000 0.047 0.000 1.194 75 A HN 0.747 nan 8.150 nan 0.000 0.479 76 I N 2.103 122.683 120.570 0.017 0.000 2.406 76 I HA 0.339 4.509 4.170 0.000 0.000 0.290 76 I C -0.259 175.761 176.117 -0.161 0.000 0.999 76 I CA -0.226 61.009 61.300 -0.107 0.000 1.124 76 I CB 2.407 40.321 38.000 -0.142 0.000 1.289 76 I HN 0.559 nan 8.210 nan 0.000 0.441 77 T N 4.463 118.905 114.554 -0.186 0.000 2.771 77 T HA 0.214 4.564 4.350 0.000 0.000 0.281 77 T C -0.053 174.491 174.700 -0.260 0.000 0.982 77 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 77 T CB 0.801 69.603 68.868 -0.111 0.000 0.930 77 T HN 0.384 nan 8.240 nan 0.000 0.447 78 N N 2.955 121.515 118.700 -0.233 0.000 2.521 78 N HA 0.073 4.813 4.740 0.000 0.000 0.236 78 N C 0.651 176.081 175.510 -0.132 0.000 1.067 78 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 78 N CB 0.190 38.554 38.487 -0.205 0.000 1.201 78 N HN 0.665 nan 8.380 nan 0.000 0.511 79 N N 2.273 120.898 118.700 -0.125 0.000 2.383 79 N HA -0.109 4.631 4.740 0.000 0.000 0.192 79 N C -0.191 175.286 175.510 -0.054 0.000 1.141 79 N CA -0.204 52.796 53.050 -0.083 0.000 0.851 79 N CB 0.104 38.539 38.487 -0.088 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 H N -0.311 118.691 119.070 -0.112 0.000 2.852 80 H HA 0.168 4.724 4.556 0.000 0.000 0.362 80 H C 1.240 176.529 175.328 -0.065 0.000 1.122 80 H CA 0.742 56.739 56.048 -0.084 0.000 1.419 80 H CB 1.344 31.055 29.762 -0.085 0.000 1.401 80 H HN 0.177 nan 8.280 nan 0.000 0.609 81 A N 2.396 125.009 122.820 -0.344 0.000 1.898 81 A HA -0.110 4.210 4.320 0.000 0.000 0.216 81 A C 1.879 179.491 177.584 0.047 0.000 1.181 81 A CA 2.070 54.026 52.037 -0.135 0.000 0.620 81 A CB -0.461 18.416 19.000 -0.204 0.000 0.819 81 A HN 0.869 nan 8.150 nan 0.000 0.442 82 T N -4.821 109.896 114.554 0.273 0.000 3.046 82 T HA 0.206 4.556 4.350 0.000 0.000 0.270 82 T C -0.076 174.701 174.700 0.129 0.000 0.920 82 T CA -0.296 61.910 62.100 0.178 0.000 0.874 82 T CB 0.204 69.139 68.868 0.111 0.000 1.214 82 T HN 0.175 nan 8.240 nan 0.000 0.536 83 E N 1.601 121.865 120.200 0.106 0.000 2.204 83 E HA 0.755 5.105 4.350 0.000 0.000 0.276 83 E C -0.249 176.239 176.600 -0.187 0.000 0.974 83 E CA -0.449 55.820 56.400 -0.218 0.000 0.815 83 E CB 2.015 31.363 29.700 -0.587 0.000 1.119 83 E HN 0.516 nan 8.360 nan 0.000 0.393 84 A N 1.910 124.656 122.820 -0.123 0.000 2.247 84 A HA 0.729 5.049 4.320 0.000 0.000 0.313 84 A C -0.115 177.414 177.584 -0.091 0.000 1.109 84 A CA -0.542 51.438 52.037 -0.095 0.000 0.890 84 A CB 0.785 19.754 19.000 -0.052 0.000 1.239 84 A HN 0.399 nan 8.150 nan 0.000 0.506 85 V N -4.086 115.793 119.914 -0.059 0.000 3.078 85 V HA 0.950 5.070 4.120 0.000 0.000 0.311 85 V C -0.246 175.931 176.094 0.139 0.000 1.138 85 V CA -0.329 61.985 62.300 0.025 0.000 1.007 85 V CB 1.125 32.964 31.823 0.027 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.447 125.406 122.820 0.231 0.000 2.454 86 A HA 0.852 5.172 4.320 0.000 0.000 0.302 86 A C -0.561 177.154 177.584 0.218 0.000 1.079 86 A CA -0.994 51.197 52.037 0.257 0.000 0.731 86 A CB 1.466 20.531 19.000 0.108 0.000 1.299 86 A HN 1.106 nan 8.150 nan 0.000 0.413 87 L N 1.878 123.119 121.223 0.029 0.000 2.543 87 L HA 0.123 4.463 4.340 0.000 0.000 0.285 87 L C 1.489 178.259 176.870 -0.167 0.000 1.236 87 L CA 0.164 54.813 54.840 -0.318 0.000 0.871 87 L CB 0.372 42.278 42.059 -0.255 0.000 1.121 87 L HN 0.997 nan 8.230 nan 0.000 0.501 88 T N -1.885 112.541 114.554 -0.213 0.000 2.770 88 T HA 0.085 4.435 4.350 0.000 0.000 0.281 88 T C 0.756 175.368 174.700 -0.147 0.000 0.981 88 T CA -0.788 61.205 62.100 -0.179 0.000 0.955 88 T CB 0.787 69.514 68.868 -0.236 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.223 120.063 120.400 -0.190 0.000 2.178 89 D HA -0.016 4.624 4.640 0.000 0.000 0.201 89 D C 1.525 177.967 176.300 0.237 0.000 0.980 89 D CA 1.062 55.042 54.000 -0.033 0.000 0.842 89 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 89 D HN 0.472 nan 8.370 nan 0.000 0.472 90 F N 0.190 120.066 119.950 -0.124 0.000 2.473 90 F HA 0.245 4.772 4.527 0.000 0.000 0.294 90 F C 2.186 177.932 175.800 -0.091 0.000 1.103 90 F CA 0.411 58.374 58.000 -0.062 0.000 1.442 90 F CB -0.949 37.983 39.000 -0.113 0.000 1.097 90 F HN -0.028 nan 8.300 nan 0.000 0.547 91 G N 2.680 111.497 108.800 0.028 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 -1.118 173.754 174.900 -0.047 0.000 1.286 91 G CA 0.560 45.596 45.100 -0.106 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.040 nan 4.420 nan 0.000 0.228 92 P C 1.602 178.914 177.300 0.019 0.000 1.151 92 P CA 2.265 65.374 63.100 0.015 0.000 0.770 92 P CB -0.377 31.325 31.700 0.004 0.000 0.786 93 A N 0.065 122.857 122.820 -0.047 0.000 2.172 93 A HA -0.095 4.225 4.320 0.000 0.000 0.216 93 A C 1.839 179.558 177.584 0.224 0.000 1.154 93 A CA 1.000 53.005 52.037 -0.055 0.000 0.701 93 A CB -0.973 17.886 19.000 -0.236 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.384 118.446 118.700 0.217 0.000 2.268 94 N HA 0.185 4.925 4.740 0.000 0.000 0.204 94 N C 1.053 176.706 175.510 0.238 0.000 1.124 94 N CA 0.076 53.277 53.050 0.251 0.000 0.838 94 N CB 0.106 38.721 38.487 0.213 0.000 0.994 94 N HN 0.467 nan 8.380 nan 0.000 0.489 95 L N -0.254 121.144 121.223 0.292 0.000 2.201 95 L HA -0.003 4.337 4.340 0.000 0.000 0.212 95 L C 0.302 177.350 176.870 0.297 0.000 1.105 95 L CA 0.785 55.825 54.840 0.333 0.000 0.775 95 L CB 0.227 42.505 42.059 0.365 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.100 119.913 119.914 0.165 0.000 2.384 96 V HA 0.130 4.250 4.120 0.000 0.000 0.287 96 V C 0.532 176.531 176.094 -0.157 0.000 1.020 96 V CA -0.550 61.615 62.300 -0.225 0.000 0.850 96 V CB 1.710 33.083 31.823 -0.750 0.000 0.987 96 V HN 0.162 nan 8.190 nan 0.000 0.436 97 Q N 3.506 123.225 119.800 -0.136 0.000 2.123 97 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 97 Q C 0.468 176.374 176.000 -0.155 0.000 0.958 97 Q CA 1.019 56.785 55.803 -0.062 0.000 0.841 97 Q CB 0.463 29.199 28.738 -0.005 0.000 0.915 97 Q HN 0.627 nan 8.270 nan 0.000 0.455 98 R N -1.052 119.306 120.500 -0.237 0.000 2.710 98 R HA 0.632 4.972 4.340 0.000 0.000 0.270 98 R C -1.377 174.735 176.300 -0.314 0.000 1.021 98 R CA -0.519 55.431 56.100 -0.249 0.000 0.889 98 R CB 2.249 32.450 30.300 -0.165 0.000 1.243 98 R HN -0.187 nan 8.270 nan 0.000 0.464 99 V N 2.565 122.311 119.914 -0.280 0.000 2.841 99 V HA 0.621 4.741 4.120 0.000 0.000 0.310 99 V C -0.767 175.213 176.094 -0.189 0.000 1.090 99 V CA -0.679 61.457 62.300 -0.273 0.000 0.930 99 V CB 2.328 33.965 31.823 -0.310 0.000 1.014 99 V HN 0.566 nan 8.190 nan 0.000 0.425 100 I N 3.683 124.162 120.570 -0.152 0.000 2.607 100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 100 I C -1.742 174.324 176.117 -0.086 0.000 1.129 100 I CA -0.703 60.517 61.300 -0.133 0.000 1.042 100 I CB 2.374 40.307 38.000 -0.113 0.000 1.242 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.253 126.409 120.300 -0.241 0.000 2.376 101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 101 Y C -1.709 174.066 175.900 -0.208 0.000 0.965 101 Y CA -0.698 57.295 58.100 -0.178 0.000 1.078 101 Y CB 1.283 39.646 38.460 -0.163 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.655 124.447 120.300 -0.847 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.101 175.260 175.900 -0.897 0.000 0.975 102 Y CA -1.030 56.730 58.100 -0.567 0.000 1.089 102 Y CB 1.165 39.438 38.460 -0.311 0.000 1.192 102 Y HN 0.715 nan 8.280 nan 0.000 0.454 103 D N 2.691 122.943 120.400 -0.246 0.000 2.451 103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 103 D C -2.207 174.094 176.300 0.001 0.000 1.201 103 D CA -2.287 51.666 54.000 -0.077 0.000 1.028 103 D CB 0.384 41.326 40.800 0.237 0.000 1.095 103 D HN 0.169 nan 8.370 nan 0.000 0.539 104 P HA -0.062 nan 4.420 nan 0.000 0.221 104 P C -0.041 177.285 177.300 0.043 0.000 1.145 104 P CA 1.015 64.137 63.100 0.037 0.000 0.795 104 P CB 0.104 31.836 31.700 0.054 0.000 0.775 105 D N -1.680 118.764 120.400 0.073 0.000 2.358 105 D HA 0.035 4.675 4.640 0.000 0.000 0.224 105 D C 0.463 176.808 176.300 0.075 0.000 1.123 105 D CA 0.049 54.091 54.000 0.070 0.000 0.833 105 D CB -1.062 39.789 40.800 0.085 0.000 0.946 105 D HN 0.207 nan 8.370 nan 0.000 0.505 106 N N 0.640 119.386 118.700 0.076 0.000 2.800 106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 106 N C -0.162 175.463 175.510 0.191 0.000 1.078 106 N CA 0.189 53.302 53.050 0.106 0.000 0.804 106 N CB -0.424 38.093 38.487 0.049 0.000 1.135 106 N HN 0.158 nan 8.380 nan 0.000 0.565 107 Q N 1.615 121.519 119.800 0.173 0.000 2.256 107 Q HA 0.354 4.694 4.340 0.000 0.000 0.254 107 Q C -0.517 175.575 176.000 0.153 0.000 0.916 107 Q CA -0.244 55.646 55.803 0.144 0.000 0.932 107 Q CB 0.878 29.678 28.738 0.103 0.000 1.207 107 Q HN 0.182 nan 8.270 nan 0.000 0.426 108 R N 2.949 123.452 120.500 0.004 0.000 2.441 108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 108 R C 0.260 176.568 176.300 0.013 0.000 1.070 108 R CA -0.141 55.862 56.100 -0.162 0.000 1.047 108 R CB 0.688 30.775 30.300 -0.355 0.000 1.016 108 R HN 0.820 nan 8.270 nan 0.000 0.477 109 H N 0.198 119.231 119.070 -0.062 0.000 5.067 109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 109 H C 0.077 175.324 175.328 -0.134 0.000 1.355 109 H CA -0.367 55.659 56.048 -0.036 0.000 0.741 109 H CB 0.279 30.090 29.762 0.081 0.000 1.615 109 H HN 0.380 nan 8.280 nan 0.000 0.266 110 T N 1.531 116.090 114.554 0.008 0.000 2.916 110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 110 T C 0.110 174.745 174.700 -0.108 0.000 1.025 110 T CA 0.465 62.491 62.100 -0.123 0.000 1.142 110 T CB 0.319 69.077 68.868 -0.184 0.000 0.947 110 T HN 0.394 nan 8.240 nan 0.000 0.544 111 E N 2.204 122.343 120.200 -0.100 0.000 2.642 111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 111 E C -0.778 175.779 176.600 -0.071 0.000 1.039 111 E CA -0.474 55.868 56.400 -0.096 0.000 0.777 111 E CB 0.911 30.563 29.700 -0.080 0.000 1.473 111 E HN 0.589 nan 8.360 nan 0.000 0.388 112 T N 0.978 115.463 114.554 -0.114 0.000 2.671 112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 112 T C -0.913 173.654 174.700 -0.223 0.000 1.238 112 T CA -0.195 61.833 62.100 -0.121 0.000 1.020 112 T CB 1.050 69.916 68.868 -0.003 0.000 1.503 112 T HN 0.419 nan 8.240 nan 0.000 0.497 113 S N -0.045 115.450 115.700 -0.342 0.000 2.617 113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 113 S C 1.620 175.957 174.600 -0.440 0.000 1.292 113 S CA 0.054 57.976 58.200 -0.463 0.000 1.010 113 S CB 0.861 63.545 63.200 -0.860 0.000 0.944 113 S HN 1.071 nan 8.310 nan 0.000 0.536 114 G N 1.084 109.684 108.800 -0.333 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 1.322 176.211 174.900 -0.017 0.000 1.158 114 G CA 0.754 45.709 45.100 -0.241 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.191 121.448 121.300 -0.072 0.000 2.388 115 W HA -0.022 4.638 4.660 0.000 0.000 0.294 115 W C 1.784 177.991 176.519 -0.520 0.000 1.212 115 W CA 0.834 57.951 57.345 -0.381 0.000 1.271 115 W CB -1.031 28.168 29.460 -0.435 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.265 119.974 119.070 -0.603 0.000 2.326 116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 116 H C 2.352 177.573 175.328 -0.177 0.000 1.081 116 H CA 1.786 57.611 56.048 -0.371 0.000 1.334 116 H CB -0.125 29.253 29.762 -0.639 0.000 1.385 116 H HN 0.118 nan 8.280 nan 0.000 0.504 117 L N 1.062 122.064 121.223 -0.370 0.000 2.043 117 L HA -0.218 4.122 4.340 0.000 0.000 0.212 117 L C 2.590 179.362 176.870 -0.163 0.000 1.075 117 L CA 2.459 57.116 54.840 -0.304 0.000 0.752 117 L CB -1.113 40.836 42.059 -0.183 0.000 0.891 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 H N -1.041 117.954 119.070 -0.125 0.000 2.353 118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 118 H C 1.929 177.238 175.328 -0.033 0.000 1.090 118 H CA 2.228 58.197 56.048 -0.132 0.000 1.327 118 H CB -0.586 29.069 29.762 -0.177 0.000 1.383 118 H HN 0.473 nan 8.280 nan 0.000 0.508 119 F N -0.733 119.101 119.950 -0.193 0.000 2.216 119 F HA -0.161 4.366 4.527 0.000 0.000 0.300 119 F C 2.537 178.271 175.800 -0.110 0.000 1.085 119 F CA 0.558 58.496 58.000 -0.103 0.000 1.326 119 F CB -0.053 38.932 39.000 -0.024 0.000 1.027 119 F HN 0.087 nan 8.300 nan 0.000 0.497 120 V N 0.255 120.154 119.914 -0.024 0.000 2.427 120 V HA -0.286 3.834 4.120 0.000 0.000 0.248 120 V C 1.667 177.701 176.094 -0.101 0.000 1.051 120 V CA 1.953 64.222 62.300 -0.052 0.000 1.048 120 V CB -0.772 30.950 31.823 -0.169 0.000 0.666 120 V HN 0.377 nan 8.190 nan 0.000 0.456 121 N N -0.302 118.251 118.700 -0.246 0.000 2.104 121 N HA -0.190 4.550 4.740 0.000 0.000 0.190 121 N C 1.836 177.210 175.510 -0.226 0.000 1.024 121 N CA 1.829 54.614 53.050 -0.442 0.000 0.853 121 N CB -0.200 37.625 38.487 -1.103 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.577 115.028 114.554 -0.170 0.000 2.708 122 T HA -0.091 4.260 4.350 0.000 0.000 0.266 122 T C 2.058 176.718 174.700 -0.067 0.000 1.037 122 T CA 1.193 63.261 62.100 -0.052 0.000 1.146 122 T CB -0.335 68.476 68.868 -0.096 0.000 0.865 122 T HN 0.331 nan 8.240 nan 0.000 0.435 123 A N 1.896 124.684 122.820 -0.052 0.000 1.908 123 A HA -0.154 4.166 4.320 0.000 0.000 0.218 123 A C 2.277 179.845 177.584 -0.027 0.000 1.181 123 A CA 1.396 53.365 52.037 -0.113 0.000 0.627 123 A CB -0.332 18.562 19.000 -0.177 0.000 0.818 123 A HN 0.290 nan 8.150 nan 0.000 0.445 124 K N -0.632 119.759 120.400 -0.015 0.000 2.155 124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 124 K C 2.146 178.725 176.600 -0.035 0.000 1.052 124 K CA 1.442 57.710 56.287 -0.031 0.000 0.948 124 K CB -0.237 32.218 32.500 -0.075 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 Q N -0.062 119.735 119.800 -0.005 0.000 2.187 125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 125 Q C 0.651 176.635 176.000 -0.028 0.000 0.957 125 Q CA 1.312 57.118 55.803 0.005 0.000 0.857 125 Q CB 0.241 29.033 28.738 0.090 0.000 0.929 125 Q HN 0.441 nan 8.270 nan 0.000 0.453 126 G N -0.621 108.154 108.800 -0.040 0.000 2.141 126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 126 G C -0.060 174.792 174.900 -0.079 0.000 0.984 126 G CA 0.187 45.254 45.100 -0.054 0.000 0.660 126 G HN 0.826 nan 8.290 nan 0.000 0.525 127 A N -1.281 121.490 122.820 -0.083 0.000 2.586 127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 127 A C -3.144 174.399 177.584 -0.069 0.000 1.062 127 A CA -0.761 51.219 52.037 -0.095 0.000 0.666 127 A CB 0.703 19.658 19.000 -0.074 0.000 1.281 127 A HN 0.151 nan 8.150 nan 0.000 0.421 128 P HA 0.119 nan 4.420 nan 0.000 0.258 128 P C -0.350 177.010 177.300 0.100 0.000 1.172 128 P CA 0.550 63.659 63.100 0.015 0.000 0.762 128 P CB -0.159 31.552 31.700 0.018 0.000 0.764 129 F N 5.768 125.719 119.950 0.003 0.000 2.604 129 F HA -0.066 4.461 4.527 0.000 0.000 0.393 129 F C 1.174 176.993 175.800 0.030 0.000 1.043 129 F CA 0.379 58.391 58.000 0.019 0.000 1.227 129 F CB -0.403 38.633 39.000 0.061 0.000 1.016 129 F HN 0.274 nan 8.300 nan 0.000 0.556 130 L N 3.586 124.438 121.223 -0.618 0.000 3.839 130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 130 L C 0.624 177.339 176.870 -0.257 0.000 1.195 130 L CA 0.556 55.051 54.840 -0.576 0.000 0.946 130 L CB -2.344 39.220 42.059 -0.825 0.000 1.891 130 L HN 0.734 nan 8.230 nan 0.000 0.963 131 S N -1.829 113.784 115.700 -0.145 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.318 174.867 174.600 -0.085 0.000 1.258 131 S CA -0.027 58.127 58.200 -0.076 0.000 0.990 131 S CB 2.192 65.373 63.200 -0.031 0.000 0.967 131 S HN 0.278 nan 8.310 nan 0.000 0.556 132 S N 1.554 117.221 115.700 -0.056 0.000 2.498 132 S HA 0.402 4.872 4.470 0.000 0.000 0.324 132 S C -0.356 174.221 174.600 -0.038 0.000 1.071 132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 132 S CB -0.044 63.139 63.200 -0.027 0.000 0.976 132 S HN 0.786 nan 8.310 nan 0.000 0.462 133 M N 5.977 125.547 119.600 -0.050 0.000 2.238 133 M HA 0.381 4.861 4.480 0.000 0.000 0.347 133 M C -1.087 175.192 176.300 -0.034 0.000 1.173 133 M CA -0.226 55.046 55.300 -0.046 0.000 1.147 133 M CB 0.635 33.197 32.600 -0.063 0.000 1.547 133 M HN 0.424 nan 8.290 nan 0.000 0.455 134 V N 4.654 124.553 119.914 -0.024 0.000 2.465 134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 134 V C 0.425 176.508 176.094 -0.018 0.000 1.045 134 V CA -0.242 62.050 62.300 -0.013 0.000 0.938 134 V CB 1.073 32.892 31.823 -0.006 0.000 0.986 134 V HN 1.022 nan 8.190 nan 0.000 0.467 135 T N -0.232 114.315 114.554 -0.011 0.000 2.838 135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 135 T C 0.259 174.962 174.700 0.004 0.000 1.113 135 T CA -0.276 61.815 62.100 -0.015 0.000 1.008 135 T CB 1.903 70.747 68.868 -0.040 0.000 1.259 135 T HN 0.632 nan 8.240 nan 0.000 0.520 136 D N -0.061 120.340 120.400 0.003 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.658 176.975 176.300 0.028 0.000 1.061 136 D CA -0.177 53.831 54.000 0.012 0.000 0.875 136 D CB -0.379 40.424 40.800 0.006 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.788 117.514 115.700 0.044 0.000 2.544 137 S HA 0.081 4.551 4.470 0.000 0.000 0.290 137 S C -1.047 173.606 174.600 0.088 0.000 1.276 137 S CA -0.930 57.321 58.200 0.085 0.000 1.075 137 S CB 0.997 64.296 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.066 nan 4.420 nan 0.000 0.225 138 P C 0.116 177.431 177.300 0.026 0.000 1.156 138 P CA 0.326 63.448 63.100 0.037 0.000 0.787 138 P CB -0.041 31.674 31.700 0.023 0.000 0.802 139 I N 1.172 121.770 120.570 0.046 0.000 2.648 139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.322 177.379 176.117 -0.100 0.000 1.153 139 I CA 0.276 61.543 61.300 -0.055 0.000 1.426 139 I CB 0.178 38.136 38.000 -0.071 0.000 1.381 139 I HN -0.269 nan 8.210 nan 0.000 0.571 140 K N 6.639 126.933 120.400 -0.178 0.000 3.233 140 K HA 0.082 4.402 4.320 0.000 0.000 0.283 140 K C -0.706 175.803 176.600 -0.151 0.000 1.209 140 K CA -0.004 56.209 56.287 -0.123 0.000 1.197 140 K CB -0.568 31.879 32.500 -0.088 0.000 1.431 140 K HN 0.388 nan 8.250 nan 0.000 0.326 141 Y N 0.427 120.715 120.300 -0.019 0.000 2.296 141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 141 Y CA 0.573 58.658 58.100 -0.024 0.000 1.490 141 Y CB 0.914 39.358 38.460 -0.028 0.000 1.359 141 Y HN 0.447 nan 8.280 nan 0.000 0.599 142 G N 0.160 109.054 108.800 0.155 0.000 2.332 142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 142 G C -1.791 173.132 174.900 0.039 0.000 1.329 142 G CA -0.862 44.282 45.100 0.073 0.000 0.949 142 G HN 0.525 nan 8.290 nan 0.000 0.476 143 D N 0.521 120.934 120.400 0.022 0.000 2.508 143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 143 D C 1.372 177.679 176.300 0.012 0.000 1.171 143 D CA 0.095 54.102 54.000 0.012 0.000 1.006 143 D CB 0.699 41.506 40.800 0.011 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.847 122.767 119.914 0.009 0.000 2.575 144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 144 V C 1.878 177.976 176.094 0.006 0.000 1.045 144 V CA 0.781 63.083 62.300 0.004 0.000 1.065 144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 144 V HN 0.555 nan 8.190 nan 0.000 0.467 145 M N -0.412 119.190 119.600 0.003 0.000 2.371 145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 145 M C 0.369 176.683 176.300 0.024 0.000 1.103 145 M CA 0.093 55.398 55.300 0.009 0.000 1.010 145 M CB -0.651 31.946 32.600 -0.005 0.000 1.457 145 M HN 0.387 nan 8.290 nan 0.000 0.486 146 N N 1.146 119.859 118.700 0.022 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.020 176.568 175.510 0.063 0.000 0.993 146 N CA 0.263 53.337 53.050 0.038 0.000 0.759 146 N CB -1.236 37.280 38.487 0.047 0.000 0.906 146 N HN 0.156 nan 8.380 nan 0.000 0.541 147 V N -0.197 119.736 119.914 0.033 0.000 2.287 147 V HA -0.108 4.012 4.120 0.000 0.000 0.248 147 V C 1.408 177.600 176.094 0.163 0.000 1.053 147 V CA 1.557 63.887 62.300 0.050 0.000 1.027 147 V CB 0.022 31.763 31.823 -0.137 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 0.422 121.043 120.570 0.084 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.142 175.012 176.117 0.062 0.000 1.009 148 I CA -0.305 61.055 61.300 0.101 0.000 1.111 148 I CB 1.761 39.801 38.000 0.066 0.000 1.262 148 I HN 0.222 nan 8.210 nan 0.000 0.443 149 D N 5.445 125.886 120.400 0.069 0.000 2.717 149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 149 D C -1.613 174.731 176.300 0.073 0.000 1.240 149 D CA -0.302 53.735 54.000 0.062 0.000 0.801 149 D CB 2.315 43.155 40.800 0.066 0.000 1.556 149 D HN 0.680 nan 8.370 nan 0.000 0.462 150 A N 2.626 125.491 122.820 0.075 0.000 2.555 150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 150 A C -2.847 174.816 177.584 0.131 0.000 1.060 150 A CA -1.207 50.899 52.037 0.114 0.000 0.710 150 A CB 1.158 20.209 19.000 0.084 0.000 1.282 150 A HN 0.433 nan 8.150 nan 0.000 0.399 151 P HA 0.338 nan 4.420 nan 0.000 0.268 151 P C 1.075 178.506 177.300 0.218 0.000 1.204 151 P CA 0.533 63.732 63.100 0.165 0.000 0.768 151 P CB 1.117 32.900 31.700 0.139 0.000 0.842 152 A N 3.036 125.939 122.820 0.138 0.000 1.978 152 A HA -0.022 4.298 4.320 0.000 0.000 0.220 152 A C 1.007 178.709 177.584 0.196 0.000 1.170 152 A CA 1.999 54.111 52.037 0.124 0.000 0.636 152 A CB -0.906 18.138 19.000 0.073 0.000 0.810 152 A HN 0.643 nan 8.150 nan 0.000 0.448 153 T N -3.863 110.797 114.554 0.178 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.873 173.850 174.700 0.037 0.000 1.158 153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 153 T CB 1.493 70.402 68.868 0.068 0.000 1.186 153 T HN 0.167 nan 8.240 nan 0.000 0.499 154 I N 1.733 122.247 120.570 -0.093 0.000 2.439 154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 154 I C 0.615 176.652 176.117 -0.133 0.000 1.023 154 I CA -1.105 60.086 61.300 -0.183 0.000 1.100 154 I CB 1.443 39.198 38.000 -0.409 0.000 1.238 154 I HN 1.033 nan 8.210 nan 0.000 0.445 155 A N 4.727 127.498 122.820 -0.082 0.000 2.346 155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 155 A C 0.644 178.188 177.584 -0.066 0.000 1.089 155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 155 A CB 0.439 19.418 19.000 -0.035 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.026 122.770 122.820 -0.039 0.000 2.566 156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 156 A C 1.623 179.192 177.584 -0.025 0.000 1.056 156 A CA 0.961 52.992 52.037 -0.011 0.000 0.757 156 A CB -1.115 17.911 19.000 0.042 0.000 0.979 156 A HN 2.751 nan 8.150 nan 0.000 0.508 157 G N 0.885 109.661 108.800 -0.039 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 0.565 175.432 174.900 -0.055 0.000 0.982 157 G CA 0.570 45.643 45.100 -0.045 0.000 0.632 157 G HN 2.180 nan 8.290 nan 0.000 0.529 158 A N -0.479 122.301 122.820 -0.068 0.000 2.264 158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 158 A C 0.260 177.788 177.584 -0.092 0.000 1.100 158 A CA 0.687 52.682 52.037 -0.070 0.000 0.839 158 A CB 1.049 20.009 19.000 -0.066 0.000 1.121 158 A HN 0.710 nan 8.150 nan 0.000 0.496 159 T N 0.537 115.048 114.554 -0.073 0.000 2.812 159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 159 T C 0.154 174.819 174.700 -0.058 0.000 0.990 159 T CA 0.057 62.112 62.100 -0.074 0.000 0.960 159 T CB 1.498 70.338 68.868 -0.047 0.000 0.948 159 T HN 1.044 nan 8.240 nan 0.000 0.438 160 G N 1.905 110.663 108.800 -0.070 0.000 2.400 160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 160 G C -0.884 174.032 174.900 0.027 0.000 1.143 160 G CA -0.577 44.509 45.100 -0.024 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.629 120.861 120.200 0.053 0.000 2.158 161 E HA 0.479 4.829 4.350 0.000 0.000 0.271 161 E C -0.912 175.748 176.600 0.100 0.000 0.911 161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 161 E CB 2.384 32.114 29.700 0.050 0.000 1.120 161 E HN 0.133 nan 8.360 nan 0.000 0.405 162 L N 1.402 122.698 121.223 0.121 0.000 2.341 162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 162 L C 0.052 176.986 176.870 0.108 0.000 1.009 162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 162 L CB 2.104 44.274 42.059 0.185 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.229 116.841 114.554 0.097 0.000 2.921 163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 163 T C -1.091 173.654 174.700 0.076 0.000 1.013 163 T CA -0.364 61.784 62.100 0.081 0.000 0.990 163 T CB 1.640 70.576 68.868 0.113 0.000 1.023 163 T HN 0.439 nan 8.240 nan 0.000 0.447 164 M N 3.171 122.784 119.600 0.022 0.000 2.501 164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 164 M C -2.375 173.878 176.300 -0.078 0.000 1.192 164 M CA -0.760 54.530 55.300 -0.017 0.000 0.886 164 M CB 1.695 34.262 32.600 -0.056 0.000 1.710 164 M HN 0.619 nan 8.290 nan 0.000 0.457 165 Y N 2.714 122.982 120.300 -0.053 0.000 2.462 165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 165 Y C -1.529 174.415 175.900 0.074 0.000 0.976 165 Y CA -0.329 57.853 58.100 0.136 0.000 1.044 165 Y CB 2.064 40.659 38.460 0.224 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.205 121.799 120.300 0.491 0.000 2.477 166 Y HA 0.284 4.834 4.550 0.000 0.000 0.347 166 Y C -1.022 175.095 175.900 0.363 0.000 0.981 166 Y CA -1.554 56.728 58.100 0.303 0.000 1.033 166 Y CB 2.038 40.563 38.460 0.108 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.003 126.386 121.300 0.140 0.000 2.361 167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 167 W C -1.904 174.639 176.519 0.041 0.000 1.041 167 W CA -1.020 56.398 57.345 0.122 0.000 1.241 167 W CB 1.451 30.942 29.460 0.051 0.000 1.279 167 W HN 0.311 nan 8.180 nan 0.000 0.436 168 V N 9.395 129.022 119.914 -0.477 0.000 2.334 168 V HA 0.191 4.311 4.120 0.000 0.000 0.267 168 V C -1.588 174.013 176.094 -0.821 0.000 1.040 168 V CA -1.522 60.510 62.300 -0.447 0.000 0.866 168 V CB 0.946 32.636 31.823 -0.221 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.394 nan 4.420 nan 0.000 0.286 169 P C 0.033 177.230 177.300 -0.171 0.000 1.261 169 P CA -0.313 62.622 63.100 -0.274 0.000 0.821 169 P CB 2.533 34.394 31.700 0.268 0.000 1.013 170 L N 1.308 122.472 121.223 -0.098 0.000 2.675 170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 170 L C 1.363 178.362 176.870 0.215 0.000 1.135 170 L CA 0.100 54.900 54.840 -0.066 0.000 0.855 170 L CB -0.780 41.105 42.059 -0.292 0.000 1.235 170 L HN 0.325 nan 8.230 nan 0.000 0.499 171 A N -0.906 122.009 122.820 0.159 0.000 2.445 171 A HA -0.014 4.306 4.320 0.000 0.000 0.242 171 A C 0.525 178.262 177.584 0.255 0.000 1.075 171 A CA 0.027 52.179 52.037 0.192 0.000 0.777 171 A CB -0.016 19.060 19.000 0.126 0.000 1.013 171 A HN 0.361 nan 8.150 nan 0.000 0.493 172 Y N 2.248 122.537 120.300 -0.018 0.000 2.181 172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 172 Y C 1.277 177.131 175.900 -0.077 0.000 1.146 172 Y CA 1.790 59.708 58.100 -0.303 0.000 1.164 172 Y CB 0.020 38.324 38.460 -0.260 0.000 0.982 172 Y HN 0.878 nan 8.280 nan 0.000 0.515 173 S N -2.425 113.253 115.700 -0.038 0.000 2.790 173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 173 S C 0.349 174.933 174.600 -0.028 0.000 1.197 173 S CA -0.622 57.513 58.200 -0.108 0.000 0.851 173 S CB 1.080 64.202 63.200 -0.131 0.000 1.217 173 S HN 0.082 nan 8.310 nan 0.000 0.526 174 E N 1.100 121.254 120.200 -0.076 0.000 2.274 174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 174 E C 1.693 178.266 176.600 -0.044 0.000 0.996 174 E CA 1.819 58.176 56.400 -0.072 0.000 0.840 174 E CB -0.323 29.306 29.700 -0.119 0.000 0.772 174 E HN 0.847 nan 8.360 nan 0.000 0.491 175 T N -2.434 112.105 114.554 -0.024 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.443 175.151 174.700 0.014 0.000 1.021 175 T CA -0.306 61.787 62.100 -0.011 0.000 0.957 175 T CB 0.440 69.300 68.868 -0.013 0.000 1.047 175 T HN -0.208 nan 8.240 nan 0.000 0.511 176 D N 1.194 121.625 120.400 0.051 0.000 2.453 176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 176 D C 0.624 176.961 176.300 0.062 0.000 1.088 176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 176 D CB 1.023 41.927 40.800 0.173 0.000 1.076 176 D HN 0.215 nan 8.370 nan 0.000 0.533 177 L N 2.499 123.731 121.223 0.015 0.000 2.627 177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 177 L C 0.773 177.642 176.870 -0.002 0.000 1.144 177 L CA 0.157 55.006 54.840 0.016 0.000 0.892 177 L CB -0.342 41.718 42.059 0.001 0.000 1.039 177 L HN 0.255 nan 8.230 nan 0.000 0.442 178 T N 0.860 115.379 114.554 -0.058 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.260 175.951 174.700 -0.014 0.000 0.998 178 T CA 1.057 63.053 62.100 -0.174 0.000 1.162 178 T CB 0.845 69.396 68.868 -0.528 0.000 0.947 178 T HN 0.632 nan 8.240 nan 0.000 0.536 179 G N 2.052 110.872 108.800 0.034 0.000 2.195 179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 179 G C 0.363 175.377 174.900 0.189 0.000 0.984 179 G CA -0.030 45.191 45.100 0.202 0.000 0.633 179 G HN 1.159 nan 8.290 nan 0.000 0.525 180 A N -0.476 122.408 122.820 0.106 0.000 2.386 180 A HA 0.649 4.969 4.320 0.000 0.000 0.246 180 A C 0.404 178.030 177.584 0.070 0.000 1.089 180 A CA 0.749 52.822 52.037 0.060 0.000 0.790 180 A CB 0.873 19.895 19.000 0.037 0.000 1.042 180 A HN 1.196 nan 8.150 nan 0.000 0.497 181 V N 1.876 121.809 119.914 0.030 0.000 2.448 181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 181 V C -0.476 175.650 176.094 0.052 0.000 1.025 181 V CA -0.510 61.828 62.300 0.063 0.000 0.859 181 V CB 1.342 33.201 31.823 0.059 0.000 0.988 181 V HN 0.768 nan 8.190 nan 0.000 0.431 182 L N 5.179 126.440 121.223 0.064 0.000 2.325 182 L HA 0.589 4.929 4.340 0.000 0.000 0.284 182 L C 0.866 177.771 176.870 0.059 0.000 1.089 182 L CA 0.700 55.570 54.840 0.048 0.000 0.836 182 L CB 0.992 43.084 42.059 0.055 0.000 1.184 182 L HN 0.748 nan 8.230 nan 0.000 0.444 183 A N 2.620 125.465 122.820 0.040 0.000 2.469 183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 183 A C 1.548 179.149 177.584 0.028 0.000 1.221 183 A CA 0.483 52.544 52.037 0.040 0.000 0.946 183 A CB -0.805 18.215 19.000 0.034 0.000 1.049 183 A HN 0.766 nan 8.150 nan 0.000 0.529 184 N N 0.366 119.089 118.700 0.038 0.000 2.459 184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 184 N C 1.297 176.855 175.510 0.079 0.000 1.046 184 N CA 1.073 54.158 53.050 0.058 0.000 0.904 184 N CB -0.908 37.637 38.487 0.097 0.000 0.964 184 N HN 0.782 nan 8.380 nan 0.000 0.444 185 V N 0.314 120.276 119.914 0.080 0.000 4.119 185 V HA 0.230 4.350 4.120 0.000 0.000 0.286 185 V C -1.141 174.985 176.094 0.054 0.000 0.996 185 V CA -0.517 61.829 62.300 0.076 0.000 1.027 185 V CB -1.131 30.736 31.823 0.074 0.000 1.193 185 V HN 0.306 nan 8.190 nan 0.000 0.454 186 P HA 0.188 nan 4.420 nan 0.000 0.274 186 P C 0.737 178.053 177.300 0.026 0.000 1.209 186 P CA 1.458 64.577 63.100 0.032 0.000 0.790 186 P CB 0.079 31.797 31.700 0.029 0.000 0.834 187 Q N 0.954 120.764 119.800 0.017 0.000 2.369 187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 187 Q C 1.252 177.256 176.000 0.006 0.000 0.963 187 Q CA 1.301 57.111 55.803 0.011 0.000 0.894 187 Q CB -0.882 27.861 28.738 0.007 0.000 0.965 187 Q HN 0.514 nan 8.270 nan 0.000 0.475 188 S N 1.303 117.006 115.700 0.006 0.000 2.702 188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 188 S C 0.397 174.994 174.600 -0.005 0.000 1.244 188 S CA 0.181 58.380 58.200 -0.003 0.000 1.058 188 S CB 0.007 63.208 63.200 0.002 0.000 0.783 188 S HN 0.722 nan 8.310 nan 0.000 0.503 189 K N 4.345 124.732 120.400 -0.021 0.000 2.202 189 K HA 0.282 4.602 4.320 0.000 0.000 0.264 189 K C -0.069 176.503 176.600 -0.046 0.000 1.010 189 K CA -0.608 55.663 56.287 -0.027 0.000 0.940 189 K CB 0.544 33.021 32.500 -0.038 0.000 0.983 189 K HN 0.634 nan 8.250 nan 0.000 0.475 190 Q N 1.089 120.867 119.800 -0.035 0.000 2.212 190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 190 Q C -0.772 175.146 176.000 -0.137 0.000 0.955 190 Q CA -0.720 55.030 55.803 -0.088 0.000 0.906 190 Q CB 1.523 30.290 28.738 0.049 0.000 1.215 190 Q HN 0.461 nan 8.270 nan 0.000 0.478 191 R N 1.218 121.571 120.500 -0.246 0.000 2.483 191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 191 R C -1.628 174.556 176.300 -0.193 0.000 0.987 191 R CA -0.736 55.258 56.100 -0.176 0.000 0.881 191 R CB 1.192 31.404 30.300 -0.146 0.000 1.177 191 R HN 0.331 nan 8.270 nan 0.000 0.451 192 L N 3.784 124.903 121.223 -0.173 0.000 2.301 192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 192 L C -0.867 175.904 176.870 -0.165 0.000 1.022 192 L CA -0.255 54.469 54.840 -0.193 0.000 0.854 192 L CB 0.811 42.608 42.059 -0.438 0.000 1.226 192 L HN 0.398 nan 8.230 nan 0.000 0.429 193 K N 6.148 126.479 120.400 -0.114 0.000 2.201 193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 193 K C -1.221 175.256 176.600 -0.204 0.000 1.027 193 K CA -0.410 55.807 56.287 -0.117 0.000 0.909 193 K CB 1.348 33.822 32.500 -0.043 0.000 1.062 193 K HN 0.542 nan 8.250 nan 0.000 0.465 194 L N 2.467 123.544 121.223 -0.244 0.000 2.381 194 L HA 0.358 4.698 4.340 0.000 0.000 0.274 194 L C -0.437 176.197 176.870 -0.393 0.000 0.988 194 L CA -0.621 53.955 54.840 -0.439 0.000 0.824 194 L CB 1.940 43.599 42.059 -0.667 0.000 1.263 194 L HN 0.649 nan 8.230 nan 0.000 0.410 195 E N 3.207 123.155 120.200 -0.420 0.000 2.129 195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 195 E C -1.300 175.122 176.600 -0.298 0.000 0.900 195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 195 E CB 1.031 30.647 29.700 -0.139 0.000 1.117 195 E HN 0.299 nan 8.360 nan 0.000 0.410 196 F N 1.902 121.864 119.950 0.021 0.000 2.370 196 F HA 0.462 4.989 4.527 0.000 0.000 0.319 196 F C 1.076 176.904 175.800 0.046 0.000 1.129 196 F CA -0.545 57.493 58.000 0.063 0.000 1.109 196 F CB 0.833 39.965 39.000 0.219 0.000 1.262 196 F HN 0.507 nan 8.300 nan 0.000 0.534 197 A N 1.652 124.619 122.820 0.244 0.000 2.448 197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 197 A C -0.261 177.382 177.584 0.097 0.000 1.080 197 A CA -0.168 51.971 52.037 0.170 0.000 0.779 197 A CB -0.194 18.956 19.000 0.249 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.715 118.098 118.700 0.187 0.000 3.102 198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 198 N C -0.119 175.639 175.510 0.413 0.000 1.482 198 N CA -0.822 52.367 53.050 0.231 0.000 0.785 198 N CB 0.351 38.947 38.487 0.182 0.000 1.680 198 N HN 0.298 nan 8.380 nan 0.000 0.594 199 N N -0.565 118.402 118.700 0.445 0.000 2.520 199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 199 N C -0.026 175.695 175.510 0.352 0.000 1.068 199 N CA 0.669 54.021 53.050 0.504 0.000 0.911 199 N CB -0.535 38.203 38.487 0.417 0.000 0.961 199 N HN 0.580 nan 8.380 nan 0.000 0.446 200 N N -1.026 117.812 118.700 0.229 0.000 2.388 200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 200 N C 1.504 177.084 175.510 0.116 0.000 1.062 200 N CA 0.804 53.954 53.050 0.166 0.000 0.895 200 N CB 0.388 38.953 38.487 0.130 0.000 1.018 200 N HN 0.244 nan 8.380 nan 0.000 0.456 201 T N -2.848 111.759 114.554 0.088 0.000 3.000 201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 201 T C 1.849 176.514 174.700 -0.058 0.000 1.034 201 T CA 0.159 62.286 62.100 0.045 0.000 1.060 201 T CB 0.098 69.012 68.868 0.077 0.000 0.983 201 T HN 0.039 nan 8.240 nan 0.000 0.482 202 A N 0.807 123.481 122.820 -0.243 0.000 2.066 202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 202 A C 0.287 177.365 177.584 -0.843 0.000 1.157 202 A CA 0.174 51.831 52.037 -0.633 0.000 0.670 202 A CB -0.626 17.773 19.000 -1.001 0.000 0.804 202 A HN 0.600 nan 8.150 nan 0.000 0.453 203 F N -0.849 119.160 119.950 0.098 0.000 2.477 203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 203 F C 0.221 176.055 175.800 0.057 0.000 1.130 203 F CA -0.811 57.231 58.000 0.069 0.000 0.948 203 F CB 1.744 40.764 39.000 0.032 0.000 1.154 203 F HN 0.050 nan 8.300 nan 0.000 0.439 204 A N 2.209 125.140 122.820 0.186 0.000 2.304 204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 204 A C -0.213 177.429 177.584 0.096 0.000 1.195 204 A CA -0.632 51.471 52.037 0.109 0.000 0.826 204 A CB 0.679 19.711 19.000 0.054 0.000 1.184 204 A HN 0.942 nan 8.150 nan 0.000 0.496 205 A N 1.799 124.664 122.820 0.076 0.000 2.366 205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 205 A C 0.430 178.033 177.584 0.032 0.000 1.084 205 A CA -0.295 51.771 52.037 0.049 0.000 0.794 205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 205 A HN 1.214 nan 8.150 nan 0.000 0.491 206 V N 1.375 121.298 119.914 0.016 0.000 2.694 206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 206 V C 1.703 177.804 176.094 0.011 0.000 1.054 206 V CA 1.854 64.159 62.300 0.009 0.000 1.161 206 V CB 0.012 31.834 31.823 -0.002 0.000 0.916 206 V HN 1.981 nan 8.190 nan 0.000 0.490 207 G N 3.135 111.940 108.800 0.009 0.000 2.225 207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 207 G C 0.383 175.289 174.900 0.010 0.000 0.988 207 G CA 0.287 45.390 45.100 0.006 0.000 0.625 207 G HN 1.524 nan 8.290 nan 0.000 0.527 208 A N -0.235 122.597 122.820 0.019 0.000 2.264 208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 208 A C 0.470 178.072 177.584 0.029 0.000 1.100 208 A CA 0.019 52.072 52.037 0.026 0.000 0.839 208 A CB 0.453 19.475 19.000 0.037 0.000 1.121 208 A HN 0.491 nan 8.150 nan 0.000 0.496 209 N N 1.164 119.886 118.700 0.036 0.000 2.452 209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 209 N C -1.776 173.758 175.510 0.040 0.000 1.209 209 N CA -1.283 51.803 53.050 0.061 0.000 0.929 209 N CB 1.008 39.534 38.487 0.065 0.000 1.063 209 N HN 0.351 nan 8.380 nan 0.000 0.472 210 P HA 0.001 nan 4.420 nan 0.000 0.261 210 P C 1.505 178.636 177.300 -0.282 0.000 1.268 210 P CA -0.136 62.898 63.100 -0.111 0.000 0.833 210 P CB 0.472 32.087 31.700 -0.141 0.000 1.231 211 L N 1.558 122.632 121.223 -0.248 0.000 2.010 211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 211 L C 1.738 178.405 176.870 -0.339 0.000 1.077 211 L CA 2.208 56.772 54.840 -0.459 0.000 0.773 211 L CB -0.887 41.144 42.059 -0.046 0.000 0.892 211 L HN -0.119 nan 8.230 nan 0.000 0.436 212 E N -0.003 120.159 120.200 -0.064 0.000 2.474 212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 212 E C 0.689 177.310 176.600 0.036 0.000 1.039 212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 212 E CB -0.067 29.717 29.700 0.139 0.000 0.970 212 E HN 0.577 nan 8.360 nan 0.000 0.486 213 A N 0.750 123.540 122.820 -0.050 0.000 2.271 213 A HA 0.505 4.825 4.320 0.000 0.000 0.288 213 A C 1.108 178.646 177.584 -0.077 0.000 1.094 213 A CA -0.443 51.558 52.037 -0.059 0.000 0.828 213 A CB 0.529 19.500 19.000 -0.048 0.000 1.091 213 A HN 0.047 nan 8.150 nan 0.000 0.493 214 I N -1.573 118.942 120.570 -0.091 0.000 3.039 214 I HA 0.121 4.291 4.170 0.000 0.000 0.270 214 I C -0.354 175.577 176.117 -0.310 0.000 1.150 214 I CA 0.654 61.869 61.300 -0.142 0.000 1.448 214 I CB -0.010 37.967 38.000 -0.039 0.000 1.197 214 I HN 0.585 nan 8.210 nan 0.000 0.450 215 Y N 0.346 120.667 120.300 0.035 0.000 2.499 215 Y HA 0.564 5.114 4.550 0.000 0.000 0.347 215 Y C -0.238 175.717 175.900 0.091 0.000 0.987 215 Y CA -0.737 57.418 58.100 0.093 0.000 1.044 215 Y CB 1.763 40.330 38.460 0.179 0.000 1.245 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.298 121.222 119.800 0.206 0.000 2.359 216 Q HA 0.770 5.111 4.340 0.000 0.000 0.274 216 Q C -0.980 175.077 176.000 0.094 0.000 1.074 216 Q CA -0.640 55.235 55.803 0.120 0.000 0.810 216 Q CB 2.693 31.457 28.738 0.044 0.000 1.342 216 Q HN 0.969 nan 8.270 nan 0.000 0.427 217 G N 0.340 109.172 108.800 0.053 0.000 2.336 217 G HA2 0.352 4.312 3.960 0.000 0.000 0.300 217 G HA3 0.352 4.312 3.960 0.000 0.000 0.300 217 G C -0.208 174.665 174.900 -0.044 0.000 1.375 217 G CA -0.128 44.974 45.100 0.004 0.000 0.885 217 G HN 0.738 nan 8.290 nan 0.000 0.599 218 A N -0.840 121.925 122.820 -0.093 0.000 2.024 218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 218 A C 2.278 179.670 177.584 -0.319 0.000 1.164 218 A CA 2.800 54.741 52.037 -0.159 0.000 0.643 218 A CB -0.491 18.412 19.000 -0.163 0.000 0.806 218 A HN 2.031 nan 8.150 nan 0.000 0.451 219 G N -1.700 106.886 108.800 -0.356 0.000 3.189 219 G HA2 0.348 4.308 3.960 0.000 0.000 0.225 219 G HA3 0.348 4.308 3.960 0.000 0.000 0.225 219 G C 1.266 176.072 174.900 -0.156 0.000 1.159 219 G CA 0.863 45.687 45.100 -0.461 0.000 0.763 219 G HN 0.625 nan 8.290 nan 0.000 0.549 220 A N 1.451 124.218 122.820 -0.088 0.000 1.892 220 A HA 0.103 4.423 4.320 0.000 0.000 0.218 220 A C 2.771 180.346 177.584 -0.016 0.000 1.188 220 A CA 2.233 54.259 52.037 -0.017 0.000 0.631 220 A CB -0.734 18.319 19.000 0.088 0.000 0.822 220 A HN 0.805 nan 8.150 nan 0.000 0.447 221 A N -0.646 122.192 122.820 0.030 0.000 2.032 221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 221 A C 1.343 178.934 177.584 0.011 0.000 1.165 221 A CA 1.807 53.874 52.037 0.050 0.000 0.645 221 A CB -0.357 18.686 19.000 0.071 0.000 0.807 221 A HN 0.488 nan 8.150 nan 0.000 0.453 222 D N -1.235 119.163 120.400 -0.002 0.000 2.424 222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 222 D C -0.366 175.818 176.300 -0.194 0.000 1.150 222 D CA -0.043 53.925 54.000 -0.052 0.000 0.831 222 D CB -0.095 40.713 40.800 0.013 0.000 0.981 222 D HN 0.290 nan 8.370 nan 0.000 0.500 223 C N 1.539 120.600 119.300 -0.398 0.000 2.398 223 C HA 0.571 5.031 4.460 0.000 0.000 0.364 223 C C 0.528 175.007 174.990 -0.850 0.000 1.219 223 C CA -0.507 58.032 59.018 -0.797 0.000 2.312 223 C CB 0.875 27.758 27.740 -1.429 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.610 120.403 120.200 -0.677 0.000 2.407 224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 224 E C -1.733 174.820 176.600 -0.079 0.000 1.012 224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 224 E CB 0.625 30.301 29.700 -0.039 0.000 1.276 224 E HN 0.401 nan 8.360 nan 0.000 0.452 225 F N 1.462 121.530 119.950 0.197 0.000 2.427 225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 225 F C 1.781 177.602 175.800 0.036 0.000 1.100 225 F CA 0.044 58.127 58.000 0.139 0.000 1.191 225 F CB 1.441 40.513 39.000 0.121 0.000 1.128 225 F HN 0.764 nan 8.300 nan 0.000 0.533 226 E N 2.427 122.737 120.200 0.183 0.000 2.076 226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 226 E C -0.239 176.397 176.600 0.060 0.000 0.979 226 E CA 0.890 57.340 56.400 0.083 0.000 0.807 226 E CB 0.367 30.089 29.700 0.038 0.000 0.761 226 E HN 0.806 nan 8.360 nan 0.000 0.454 227 E N -1.013 119.222 120.200 0.058 0.000 2.398 227 E HA 0.351 4.701 4.350 0.000 0.000 0.280 227 E C -1.304 175.162 176.600 -0.223 0.000 1.122 227 E CA -0.688 55.639 56.400 -0.120 0.000 0.873 227 E CB 0.542 30.162 29.700 -0.132 0.000 1.294 227 E HN 0.044 nan 8.360 nan 0.000 0.435 228 I N 0.956 121.158 120.570 -0.612 0.000 2.647 228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 228 I C -0.896 174.794 176.117 -0.712 0.000 1.078 228 I CA -0.945 59.930 61.300 -0.709 0.000 1.048 228 I CB 2.217 39.532 38.000 -1.142 0.000 1.239 228 I HN 0.561 nan 8.210 nan 0.000 0.421 229 S N 4.168 119.646 115.700 -0.369 0.000 2.549 229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 229 S C -1.591 172.947 174.600 -0.103 0.000 1.109 229 S CA -0.435 57.609 58.200 -0.261 0.000 0.905 229 S CB 1.445 64.532 63.200 -0.188 0.000 1.081 229 S HN 0.483 nan 8.310 nan 0.000 0.477 230 Y N -0.179 120.037 120.300 -0.140 0.000 2.562 230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 230 Y C -0.869 175.005 175.900 -0.044 0.000 1.045 230 Y CA -0.842 57.235 58.100 -0.038 0.000 1.028 230 Y CB 1.409 39.916 38.460 0.077 0.000 1.297 230 Y HN 0.435 nan 8.280 nan 0.000 0.463 231 T N 2.878 117.545 114.554 0.189 0.000 2.928 231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 231 T C -1.453 173.331 174.700 0.140 0.000 1.000 231 T CA -0.653 61.470 62.100 0.038 0.000 0.989 231 T CB 1.525 70.356 68.868 -0.061 0.000 1.005 231 T HN 0.626 nan 8.240 nan 0.000 0.442 232 V N 4.071 124.040 119.914 0.093 0.000 2.398 232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 232 V C -1.145 174.982 176.094 0.055 0.000 1.026 232 V CA -0.766 61.631 62.300 0.161 0.000 0.868 232 V CB 0.905 32.824 31.823 0.160 0.000 0.982 232 V HN 0.818 nan 8.190 nan 0.000 0.443 233 Y N 2.976 123.458 120.300 0.303 0.000 2.352 233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 233 Y C 0.297 176.394 175.900 0.328 0.000 0.992 233 Y CA -0.331 57.945 58.100 0.292 0.000 1.100 233 Y CB 1.729 40.358 38.460 0.282 0.000 1.192 233 Y HN 0.565 nan 8.280 nan 0.000 0.458 234 Q N 2.162 122.229 119.800 0.445 0.000 2.271 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 234 Q C -0.885 175.282 176.000 0.279 0.000 0.936 234 Q CA -0.571 55.410 55.803 0.298 0.000 0.909 234 Q CB 1.323 30.265 28.738 0.339 0.000 1.253 234 Q HN 0.653 nan 8.270 nan 0.000 0.440 235 S N 4.389 120.158 115.700 0.114 0.000 2.433 235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 235 S C -1.371 173.311 174.600 0.136 0.000 1.097 235 S CA -0.379 57.913 58.200 0.153 0.000 1.103 235 S CB 0.226 63.623 63.200 0.328 0.000 0.992 235 S HN 0.572 nan 8.310 nan 0.000 0.469 236 Y N 2.086 122.386 120.300 -0.000 0.000 2.689 236 Y HA 0.727 5.277 4.550 0.000 0.000 0.333 236 Y C -1.810 174.088 175.900 -0.004 0.000 1.190 236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 236 Y CB 0.884 39.330 38.460 -0.023 0.000 1.294 236 Y HN 0.414 nan 8.280 nan 0.000 0.466 237 L N 2.401 123.703 121.223 0.132 0.000 2.313 237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 237 L C -0.854 176.112 176.870 0.160 0.000 1.013 237 L CA -0.569 54.293 54.840 0.038 0.000 0.816 237 L CB 1.437 43.501 42.059 0.008 0.000 1.236 237 L HN 0.689 nan 8.230 nan 0.000 0.419 238 D N 1.806 122.279 120.400 0.122 0.000 2.449 238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 238 D C -0.343 176.019 176.300 0.103 0.000 1.050 238 D CA -0.017 54.090 54.000 0.178 0.000 1.024 238 D CB 1.431 42.373 40.800 0.237 0.000 1.218 238 D HN 0.362 nan 8.370 nan 0.000 0.566 239 Q N 0.164 120.017 119.800 0.089 0.000 2.470 239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 239 Q C -0.480 175.537 176.000 0.028 0.000 1.356 239 Q CA 0.363 56.208 55.803 0.069 0.000 0.805 239 Q CB -1.843 26.945 28.738 0.083 0.000 1.157 239 Q HN 0.471 nan 8.270 nan 0.000 0.431 240 L N 2.011 123.203 121.223 -0.052 0.000 2.490 240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 240 L C -1.053 175.791 176.870 -0.043 0.000 1.201 240 L CA -1.092 53.656 54.840 -0.153 0.000 0.869 240 L CB -0.206 41.554 42.059 -0.498 0.000 1.123 240 L HN 0.010 nan 8.230 nan 0.000 0.484 241 P HA 0.137 nan 4.420 nan 0.000 0.271 241 P C -0.822 176.573 177.300 0.158 0.000 1.216 241 P CA -0.176 62.965 63.100 0.069 0.000 0.771 241 P CB 1.382 33.107 31.700 0.041 0.000 0.864 242 V N 2.442 122.461 119.914 0.174 0.000 2.667 242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 242 V C 0.902 177.057 176.094 0.101 0.000 1.048 242 V CA -0.152 62.263 62.300 0.192 0.000 0.928 242 V CB 1.709 33.627 31.823 0.160 0.000 1.004 242 V HN 0.903 nan 8.190 nan 0.000 0.444 243 G N 1.166 110.014 108.800 0.080 0.000 3.247 243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 243 G C 0.544 175.462 174.900 0.029 0.000 1.220 243 G CA 0.572 45.701 45.100 0.049 0.000 0.875 243 G HN 0.745 nan 8.290 nan 0.000 0.606 244 Q N -1.447 118.366 119.800 0.022 0.000 1.921 244 Q HA -0.168 4.172 4.340 0.000 0.000 0.208 244 Q C 2.559 178.562 176.000 0.006 0.000 0.994 244 Q CA 2.961 58.771 55.803 0.012 0.000 0.857 244 Q CB -1.987 26.758 28.738 0.011 0.000 0.925 244 Q HN 1.337 nan 8.270 nan 0.000 0.421 245 N N -0.093 118.613 118.700 0.010 0.000 2.520 245 N HA 0.372 5.112 4.740 0.000 0.000 0.185 245 N C 1.463 176.969 175.510 -0.007 0.000 1.068 245 N CA 1.773 54.825 53.050 0.003 0.000 0.911 245 N CB -0.135 38.359 38.487 0.012 0.000 0.961 245 N HN 1.580 nan 8.380 nan 0.000 0.446 246 G N -1.868 106.933 108.800 0.001 0.000 2.250 246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 246 G C -0.807 174.139 174.900 0.077 0.000 1.308 246 G CA -0.416 44.666 45.100 -0.029 0.000 1.207 246 G HN 0.453 nan 8.290 nan 0.000 0.505 247 Y N 0.915 121.226 120.300 0.018 0.000 2.805 247 Y HA 0.223 4.773 4.550 0.000 0.000 0.331 247 Y C 1.340 177.251 175.900 0.018 0.000 1.241 247 Y CA -0.088 58.025 58.100 0.021 0.000 1.546 247 Y CB 0.198 38.672 38.460 0.024 0.000 1.248 247 Y HN 0.238 nan 8.280 nan 0.000 0.559 248 I N 6.727 127.407 120.570 0.184 0.000 2.308 248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 248 I C -0.476 175.676 176.117 0.057 0.000 1.078 248 I CA 0.263 61.618 61.300 0.092 0.000 1.292 248 I CB 0.059 38.096 38.000 0.063 0.000 1.423 248 I HN 0.366 nan 8.210 nan 0.000 0.493 249 L N 8.627 129.883 121.223 0.054 0.000 2.401 249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 249 L C -2.422 174.458 176.870 0.017 0.000 0.991 249 L CA -1.878 52.980 54.840 0.028 0.000 0.818 249 L CB 2.529 44.615 42.059 0.045 0.000 1.321 249 L HN 0.344 nan 8.230 nan 0.000 0.413 250 P HA 0.166 nan 4.420 nan 0.000 0.273 250 P C 0.647 177.943 177.300 -0.007 0.000 1.428 250 P CA -0.234 62.861 63.100 -0.009 0.000 0.995 250 P CB 0.657 32.345 31.700 -0.020 0.000 1.286 251 L N 2.692 123.915 121.223 -0.001 0.000 2.131 251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 251 L C 2.372 179.235 176.870 -0.012 0.000 1.092 251 L CA 1.310 56.151 54.840 0.003 0.000 0.759 251 L CB -0.522 41.543 42.059 0.009 0.000 0.903 251 L HN 0.279 nan 8.230 nan 0.000 0.435 252 I N -0.423 120.128 120.570 -0.031 0.000 2.233 252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 252 I C 2.110 178.181 176.117 -0.076 0.000 1.093 252 I CA 1.010 62.277 61.300 -0.055 0.000 1.380 252 I CB -0.420 37.537 38.000 -0.072 0.000 1.067 252 I HN 0.201 nan 8.210 nan 0.000 0.413 253 D N 1.334 121.688 120.400 -0.077 0.000 2.106 253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 253 D C 2.194 178.469 176.300 -0.041 0.000 0.997 253 D CA 1.474 55.422 54.000 -0.087 0.000 0.834 253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 253 D HN 0.277 nan 8.370 nan 0.000 0.448 254 L N 0.405 121.623 121.223 -0.009 0.000 2.465 254 L HA -0.015 4.325 4.340 0.000 0.000 0.224 254 L C 1.708 178.601 176.870 0.038 0.000 1.145 254 L CA 0.737 55.593 54.840 0.028 0.000 0.834 254 L CB -0.239 41.840 42.059 0.033 0.000 0.944 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.018 112.689 115.700 0.010 0.000 2.568 255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 255 S C 0.564 175.160 174.600 -0.006 0.000 0.975 255 S CA -0.536 57.672 58.200 0.014 0.000 0.949 255 S CB 0.081 63.286 63.200 0.008 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.479 256 T N 2.749 117.288 114.554 -0.026 0.000 2.855 256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 256 T C -0.606 174.089 174.700 -0.010 0.000 1.007 256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 256 T CB 1.405 70.169 68.868 -0.174 0.000 0.983 256 T HN 0.240 nan 8.240 nan 0.000 0.455 257 L N 2.943 124.161 121.223 -0.009 0.000 2.295 257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 257 L C -1.027 175.931 176.870 0.147 0.000 1.035 257 L CA -1.130 53.686 54.840 -0.040 0.000 0.806 257 L CB 0.874 42.790 42.059 -0.238 0.000 1.214 257 L HN 0.627 nan 8.230 nan 0.000 0.426 258 Y N 4.064 124.418 120.300 0.090 0.000 2.388 258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 258 Y C -0.930 174.924 175.900 -0.077 0.000 0.963 258 Y CA -1.139 57.062 58.100 0.168 0.000 1.240 258 Y CB 0.649 39.341 38.460 0.385 0.000 1.118 258 Y HN 0.531 nan 8.280 nan 0.000 0.484 259 N N 5.859 124.113 118.700 -0.744 0.000 2.312 259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 259 N C -1.519 173.474 175.510 -0.860 0.000 1.193 259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 259 N CB 2.370 40.363 38.487 -0.823 0.000 1.435 259 N HN 0.567 nan 8.380 nan 0.000 0.484 260 L N 0.490 121.417 121.223 -0.493 0.000 2.346 260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 260 L C 0.020 176.885 176.870 -0.008 0.000 1.006 260 L CA -0.546 54.181 54.840 -0.189 0.000 0.817 260 L CB 1.712 43.647 42.059 -0.207 0.000 1.272 260 L HN 0.379 nan 8.230 nan 0.000 0.421 261 E N 2.075 122.407 120.200 0.221 0.000 2.390 261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 261 E C -1.508 175.192 176.600 0.165 0.000 0.939 261 E CA -0.819 55.711 56.400 0.218 0.000 0.769 261 E CB 3.089 33.002 29.700 0.354 0.000 1.251 261 E HN 0.670 nan 8.360 nan 0.000 0.450 262 N N -0.009 118.724 118.700 0.055 0.000 2.453 262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 262 N C -1.086 174.462 175.510 0.063 0.000 1.250 262 N CA -0.608 52.402 53.050 -0.066 0.000 0.815 262 N CB 1.854 40.203 38.487 -0.230 0.000 1.381 262 N HN 0.472 nan 8.380 nan 0.000 0.510 263 S N -1.985 113.752 115.700 0.062 0.000 2.615 263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 263 S C -1.656 173.010 174.600 0.110 0.000 1.161 263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 263 S CB 1.098 64.406 63.200 0.181 0.000 1.131 263 S HN 1.092 nan 8.310 nan 0.000 0.467 264 A N 0.858 123.751 122.820 0.122 0.000 2.414 264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 264 A C -1.163 176.508 177.584 0.144 0.000 1.054 264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 264 A CB 1.610 20.692 19.000 0.136 0.000 1.267 264 A HN 0.689 nan 8.150 nan 0.000 0.418 265 Q N 0.094 120.004 119.800 0.183 0.000 2.372 265 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 265 Q C -0.701 175.467 176.000 0.281 0.000 1.078 265 Q CA -0.598 55.361 55.803 0.259 0.000 0.806 265 Q CB 2.518 31.456 28.738 0.334 0.000 1.332 265 Q HN 1.086 nan 8.270 nan 0.000 0.435 266 A N -0.433 122.558 122.820 0.285 0.000 2.486 266 A HA 0.908 5.229 4.320 0.000 0.000 0.289 266 A C 0.208 177.908 177.584 0.193 0.000 1.176 266 A CA -0.137 51.968 52.037 0.115 0.000 0.757 266 A CB 1.613 20.651 19.000 0.064 0.000 1.337 266 A HN 1.004 nan 8.150 nan 0.000 0.423 267 G N -0.913 107.886 108.800 -0.003 0.000 2.155 267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 267 G C -0.400 174.482 174.900 -0.030 0.000 1.023 267 G CA -0.080 45.077 45.100 0.096 0.000 0.688 267 G HN 0.780 nan 8.290 nan 0.000 0.499 268 L N 1.376 122.358 121.223 -0.403 0.000 2.397 268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 268 L C 0.586 177.358 176.870 -0.163 0.000 1.148 268 L CA 0.293 54.859 54.840 -0.456 0.000 0.825 268 L CB 1.446 43.110 42.059 -0.658 0.000 1.117 268 L HN 0.162 nan 8.230 nan 0.000 0.456 269 T N 2.401 116.895 114.554 -0.099 0.000 2.916 269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 269 T C -2.636 172.030 174.700 -0.057 0.000 1.031 269 T CA -1.389 60.680 62.100 -0.051 0.000 0.993 269 T CB 1.921 70.780 68.868 -0.014 0.000 1.045 269 T HN 0.214 nan 8.240 nan 0.000 0.454 270 P HA 0.053 nan 4.420 nan 0.000 0.261 270 P C 0.364 177.635 177.300 -0.048 0.000 1.173 270 P CA 0.438 63.512 63.100 -0.044 0.000 0.760 270 P CB 0.146 31.831 31.700 -0.026 0.000 0.783 271 N N -0.911 117.748 118.700 -0.069 0.000 2.753 271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 271 N C -0.608 174.867 175.510 -0.058 0.000 1.097 271 N CA 0.756 53.767 53.050 -0.066 0.000 0.786 271 N CB -1.649 36.821 38.487 -0.027 0.000 1.137 271 N HN 0.186 nan 8.380 nan 0.000 0.566 272 V N 0.923 120.798 119.914 -0.065 0.000 2.555 272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 272 V C 0.092 176.157 176.094 -0.049 0.000 1.038 272 V CA -0.848 61.432 62.300 -0.033 0.000 0.887 272 V CB 2.159 33.980 31.823 -0.003 0.000 0.991 272 V HN -0.053 nan 8.190 nan 0.000 0.434 273 D N 3.318 123.700 120.400 -0.030 0.000 2.434 273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 273 D C -0.572 175.743 176.300 0.026 0.000 1.185 273 D CA 0.497 54.476 54.000 -0.036 0.000 0.886 273 D CB 0.419 41.221 40.800 0.003 0.000 1.148 273 D HN 0.342 nan 8.370 nan 0.000 0.483 274 F N 3.596 123.452 119.950 -0.157 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.725 175.017 175.800 -0.096 0.000 1.122 274 F CA -0.806 57.118 58.000 -0.125 0.000 1.090 274 F CB 0.813 39.710 39.000 -0.171 0.000 1.150 274 F HN -0.000 nan 8.300 nan 0.000 0.472 275 V N 6.966 126.609 119.914 -0.452 0.000 2.384 275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 275 V C -0.569 175.271 176.094 -0.422 0.000 1.020 275 V CA -0.892 61.216 62.300 -0.320 0.000 0.850 275 V CB 1.419 33.132 31.823 -0.184 0.000 0.987 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.470 125.234 119.914 -0.251 0.000 2.328 276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 276 V C 0.227 176.185 176.094 -0.227 0.000 1.021 276 V CA -0.590 61.574 62.300 -0.226 0.000 0.838 276 V CB 1.082 32.837 31.823 -0.112 0.000 0.999 276 V HN 0.925 nan 8.190 nan 0.000 0.447 277 Q N 3.216 122.893 119.800 -0.205 0.000 2.352 277 Q HA 0.345 4.685 4.340 0.000 0.000 0.260 277 Q C -1.144 174.608 176.000 -0.413 0.000 0.976 277 Q CA -0.024 55.646 55.803 -0.222 0.000 0.881 277 Q CB 0.982 29.647 28.738 -0.123 0.000 1.235 277 Q HN 0.655 nan 8.270 nan 0.000 0.419 278 Y N 0.203 120.248 120.300 -0.426 0.000 2.320 278 Y HA 0.404 4.954 4.550 0.000 0.000 0.324 278 Y C 0.480 175.936 175.900 -0.740 0.000 1.190 278 Y CA -0.567 57.150 58.100 -0.640 0.000 1.215 278 Y CB 1.081 39.127 38.460 -0.690 0.000 1.221 278 Y HN 0.669 nan 8.280 nan 0.000 0.486 279 A N 2.409 124.956 122.820 -0.454 0.000 2.272 279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 279 A C -0.257 177.123 177.584 -0.340 0.000 1.096 279 A CA -0.729 50.873 52.037 -0.726 0.000 0.822 279 A CB 0.057 18.819 19.000 -0.397 0.000 1.088 279 A HN 0.876 nan 8.150 nan 0.000 0.495 280 N N -1.424 117.108 118.700 -0.279 0.000 2.447 280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 280 N C 0.203 175.608 175.510 -0.176 0.000 1.226 280 N CA -0.022 52.914 53.050 -0.190 0.000 0.980 280 N CB 1.035 39.442 38.487 -0.133 0.000 1.206 280 N HN 1.417 nan 8.380 nan 0.000 0.558 281 L N -3.361 117.808 121.223 -0.090 0.000 3.121 281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 281 L C -1.049 176.102 176.870 0.468 0.000 0.695 281 L CA 1.598 56.543 54.840 0.176 0.000 3.096 281 L CB -1.767 40.337 42.059 0.074 0.000 0.683 281 L HN 0.745 nan 8.230 nan 0.000 0.743 282 Y N 1.909 122.221 120.300 0.021 0.000 2.309 282 Y HA 0.480 5.030 4.550 0.000 0.000 0.327 282 Y C 0.804 176.710 175.900 0.010 0.000 1.172 282 Y CA -0.921 57.053 58.100 -0.209 0.000 1.280 282 Y CB 0.502 38.362 38.460 -1.000 0.000 1.234 282 Y HN 0.069 nan 8.280 nan 0.000 0.512 283 R N 3.867 124.463 120.500 0.160 0.000 2.280 283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 283 R C -1.694 174.668 176.300 0.103 0.000 1.080 283 R CA -0.642 55.550 56.100 0.154 0.000 1.002 283 R CB 0.269 30.596 30.300 0.044 0.000 1.136 283 R HN 0.578 nan 8.270 nan 0.000 0.509 284 Y N 2.957 123.361 120.300 0.173 0.000 2.531 284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 284 Y C 1.563 177.523 175.900 0.099 0.000 1.024 284 Y CA -0.188 58.027 58.100 0.193 0.000 1.306 284 Y CB 0.606 39.190 38.460 0.207 0.000 1.149 284 Y HN 0.440 nan 8.280 nan 0.000 0.527 285 L N 1.912 123.254 121.223 0.198 0.000 2.162 285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 285 L C 0.770 177.750 176.870 0.183 0.000 1.086 285 L CA 0.630 55.529 54.840 0.099 0.000 0.778 285 L CB -0.130 41.908 42.059 -0.034 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.970 113.900 115.700 0.283 0.000 2.570 286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 286 S C -0.614 174.172 174.600 0.311 0.000 1.149 286 S CA -0.686 57.652 58.200 0.230 0.000 0.837 286 S CB 2.379 65.767 63.200 0.312 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.981 116.629 114.554 0.157 0.000 2.886 287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 287 T C -0.933 173.737 174.700 -0.050 0.000 1.012 287 T CA -0.422 61.718 62.100 0.067 0.000 0.982 287 T CB 0.885 69.831 68.868 0.131 0.000 1.018 287 T HN 0.660 nan 8.240 nan 0.000 0.451 288 I N 2.273 122.744 120.570 -0.164 0.000 2.465 288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 288 I C -0.380 175.595 176.117 -0.238 0.000 1.014 288 I CA -0.980 60.279 61.300 -0.069 0.000 1.093 288 I CB 1.751 39.814 38.000 0.105 0.000 1.267 288 I HN 0.727 nan 8.210 nan 0.000 0.431 289 A N 6.371 129.113 122.820 -0.130 0.000 2.335 289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 289 A C -1.098 176.591 177.584 0.175 0.000 1.118 289 A CA -0.472 51.506 52.037 -0.099 0.000 0.757 289 A CB 1.376 20.208 19.000 -0.281 0.000 1.188 289 A HN 0.394 nan 8.150 nan 0.000 0.460 290 V N 3.311 123.356 119.914 0.217 0.000 2.370 290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 290 V C -0.659 175.652 176.094 0.361 0.000 1.023 290 V CA -0.389 62.086 62.300 0.292 0.000 0.857 290 V CB 1.208 33.170 31.823 0.232 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.321 125.388 119.950 0.196 0.000 2.451 291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 291 F C 0.442 176.145 175.800 -0.161 0.000 1.178 291 F CA -1.852 56.175 58.000 0.046 0.000 1.210 291 F CB 0.176 39.222 39.000 0.076 0.000 1.504 291 F HN 0.607 nan 8.300 nan 0.000 0.598 292 D N 4.129 124.528 120.400 -0.001 0.000 2.435 292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 292 D C -0.063 175.912 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.773 54.000 -0.527 0.000 0.947 292 D CB -0.316 40.423 40.800 -0.101 0.000 1.048 292 D HN 0.255 nan 8.370 nan 0.000 0.512 293 N N 2.862 120.988 118.700 -0.957 0.000 3.178 293 N HA 0.197 4.937 4.740 0.000 0.000 0.300 293 N C 0.741 175.956 175.510 -0.492 0.000 1.242 293 N CA 0.457 52.999 53.050 -0.848 0.000 1.192 293 N CB -0.468 37.324 38.487 -1.159 0.000 1.463 293 N HN 0.616 nan 8.380 nan 0.000 0.539 294 G N 0.780 109.388 108.800 -0.321 0.000 2.295 294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 294 G C 0.965 175.740 174.900 -0.208 0.000 1.055 294 G CA 0.511 45.489 45.100 -0.203 0.000 0.922 294 G HN 1.084 nan 8.290 nan 0.000 0.503 295 G N -2.335 106.298 108.800 -0.278 0.000 2.195 295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 295 G C 0.461 175.238 174.900 -0.204 0.000 0.984 295 G CA 0.682 45.687 45.100 -0.157 0.000 0.633 295 G HN 1.751 nan 8.290 nan 0.000 0.525 296 S N 0.115 115.563 115.700 -0.420 0.000 2.489 296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 296 S C -0.821 173.388 174.600 -0.653 0.000 1.151 296 S CA -0.334 57.667 58.200 -0.332 0.000 1.082 296 S CB 0.928 63.968 63.200 -0.267 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.918 122.766 119.950 -0.170 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.467 176.207 175.800 -0.100 0.000 1.125 297 F CA -0.851 57.057 58.000 -0.153 0.000 0.983 297 F CB 1.175 40.087 39.000 -0.147 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.422 120.122 118.700 -0.001 0.000 2.430 298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 298 N C -0.487 175.091 175.510 0.114 0.000 1.130 298 N CA -0.707 52.364 53.050 0.035 0.000 0.894 298 N CB 2.196 40.668 38.487 -0.025 0.000 1.209 298 N HN 0.563 nan 8.380 nan 0.000 0.503 299 A N 0.519 123.402 122.820 0.105 0.000 3.037 299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 299 A C 1.329 179.023 177.584 0.183 0.000 1.723 299 A CA 0.280 52.397 52.037 0.134 0.000 1.413 299 A CB -1.396 17.662 19.000 0.096 0.000 1.112 299 A HN 0.906 nan 8.150 nan 0.000 0.606 300 G N 1.121 110.093 108.800 0.288 0.000 2.257 300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 300 G C 1.277 176.264 174.900 0.145 0.000 0.984 300 G CA 1.609 46.870 45.100 0.269 0.000 0.626 300 G HN 1.495 nan 8.290 nan 0.000 0.540 301 T N -0.746 113.874 114.554 0.110 0.000 3.007 301 T HA 0.058 4.408 4.350 0.000 0.000 0.270 301 T C 1.508 176.239 174.700 0.051 0.000 1.107 301 T CA 1.797 63.937 62.100 0.067 0.000 1.118 301 T CB -0.196 68.699 68.868 0.046 0.000 0.889 301 T HN 0.605 nan 8.240 nan 0.000 0.506 302 D N 0.411 120.852 120.400 0.070 0.000 2.368 302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 302 D C 0.217 176.600 176.300 0.139 0.000 1.112 302 D CA -0.468 53.581 54.000 0.081 0.000 0.834 302 D CB -0.274 40.536 40.800 0.016 0.000 0.953 302 D HN 0.470 nan 8.370 nan 0.000 0.505 303 I N 0.430 121.038 120.570 0.064 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.643 176.711 176.117 -0.083 0.000 1.040 303 I CA -0.880 60.385 61.300 -0.058 0.000 1.068 303 I CB 2.123 40.024 38.000 -0.165 0.000 1.251 303 I HN -0.270 nan 8.210 nan 0.000 0.424 304 N N 3.694 122.297 118.700 -0.162 0.000 2.197 304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 304 N C -0.593 174.921 175.510 0.007 0.000 1.030 304 N CA 1.368 54.366 53.050 -0.087 0.000 0.851 304 N CB 0.288 38.681 38.487 -0.157 0.000 1.003 304 N HN 0.632 nan 8.380 nan 0.000 0.430 305 Y N -1.935 118.283 120.300 -0.137 0.000 2.713 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 305 Y C -1.782 173.936 175.900 -0.305 0.000 1.222 305 Y CA -1.429 56.572 58.100 -0.165 0.000 1.061 305 Y CB 0.475 38.881 38.460 -0.091 0.000 1.314 305 Y HN -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.688 122.827 121.223 -0.141 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.096 176.633 176.870 -0.236 0.000 1.014 306 L CA -0.542 53.970 54.840 -0.547 0.000 0.820 306 L CB 2.206 43.428 42.059 -1.393 0.000 1.352 306 L HN 0.902 nan 8.230 nan 0.000 0.421 307 S N -0.176 115.299 115.700 -0.375 0.000 2.636 307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 307 S C -2.102 172.390 174.600 -0.180 0.000 1.147 307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 307 S CB 1.536 64.749 63.200 0.021 0.000 1.119 307 S HN 0.577 nan 8.310 nan 0.000 0.470 308 Q N 1.126 120.934 119.800 0.013 0.000 2.321 308 Q HA 0.542 4.882 4.340 0.000 0.000 0.270 308 Q C -1.016 175.004 176.000 0.034 0.000 1.032 308 Q CA -0.597 55.238 55.803 0.054 0.000 0.784 308 Q CB 2.354 31.176 28.738 0.140 0.000 1.264 308 Q HN 0.559 nan 8.270 nan 0.000 0.448 309 R N 1.017 121.538 120.500 0.036 0.000 2.686 309 R HA 0.548 4.888 4.340 0.000 0.000 0.283 309 R C -1.189 175.120 176.300 0.015 0.000 0.978 309 R CA -0.339 55.770 56.100 0.014 0.000 0.897 309 R CB 1.738 32.039 30.300 0.001 0.000 1.192 309 R HN 0.699 nan 8.270 nan 0.000 0.457 310 T N 0.760 115.314 114.554 0.000 0.000 2.794 310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 310 T C 0.244 174.938 174.700 -0.009 0.000 0.987 310 T CA -0.752 61.344 62.100 -0.007 0.000 0.993 310 T CB 1.671 70.531 68.868 -0.013 0.000 0.939 310 T HN 0.695 nan 8.240 nan 0.000 0.449 311 A N 2.510 125.324 122.820 -0.010 0.000 2.566 311 A HA 0.456 4.776 4.320 0.000 0.000 0.245 311 A C 1.462 179.040 177.584 -0.011 0.000 1.056 311 A CA 0.565 52.596 52.037 -0.010 0.000 0.757 311 A CB -1.950 17.044 19.000 -0.010 0.000 0.979 311 A HN 2.487 nan 8.150 nan 0.000 0.508 312 N N -1.034 117.660 118.700 -0.010 0.000 2.756 312 N HA 0.237 4.977 4.740 0.000 0.000 0.248 312 N C 0.325 175.829 175.510 -0.010 0.000 1.062 312 N CA 2.087 55.131 53.050 -0.010 0.000 0.696 312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 312 N HN 2.497 nan 8.380 nan 0.000 0.548 313 F N -1.944 117.999 119.950 -0.011 0.000 3.281 313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 313 F CB -0.832 38.161 39.000 -0.011 0.000 1.717 313 F HN 1.986 nan 8.300 nan 0.000 0.480 314 S N 0.177 115.868 115.700 -0.015 0.000 3.160 314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 314 S C -0.363 174.227 174.600 -0.018 0.000 2.861 314 S CA 1.518 59.706 58.200 -0.019 0.000 3.097 314 S CB -1.137 62.048 63.200 -0.025 0.000 0.331 314 S HN 1.121 nan 8.310 nan 0.000 1.767 315 D N 0.777 121.162 120.400 -0.026 0.000 2.302 315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 315 D C 1.216 177.507 176.300 -0.016 0.000 1.094 315 D CA 0.406 54.393 54.000 -0.021 0.000 0.897 315 D CB 1.046 41.823 40.800 -0.039 0.000 1.200 315 D HN 0.639 nan 8.370 nan 0.000 0.429 316 T N -1.217 113.335 114.554 -0.003 0.000 3.044 316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 316 T C 0.692 175.391 174.700 -0.001 0.000 1.081 316 T CA -0.364 61.733 62.100 -0.005 0.000 1.040 316 T CB -0.058 68.808 68.868 -0.004 0.000 0.962 316 T HN 0.597 nan 8.240 nan 0.000 0.506 317 R N 0.282 120.793 120.500 0.020 0.000 2.747 317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 317 R C -0.948 175.422 176.300 0.117 0.000 1.438 317 R CA -0.653 55.472 56.100 0.041 0.000 1.334 317 R CB -0.335 29.965 30.300 0.000 0.000 1.523 317 R HN 0.084 nan 8.270 nan 0.000 0.741 318 K N 3.009 123.432 120.400 0.039 0.000 2.310 318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 318 K C -0.967 175.654 176.600 0.034 0.000 1.077 318 K CA -0.177 56.108 56.287 -0.004 0.000 0.922 318 K CB 0.521 32.907 32.500 -0.190 0.000 1.057 318 K HN 0.453 nan 8.250 nan 0.000 0.479 319 L N 3.322 124.653 121.223 0.180 0.000 2.388 319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 319 L C -0.422 176.581 176.870 0.221 0.000 0.998 319 L CA -1.369 53.597 54.840 0.209 0.000 0.817 319 L CB 2.048 44.305 42.059 0.330 0.000 1.338 319 L HN 0.745 nan 8.230 nan 0.000 0.414 320 D N 0.516 121.019 120.400 0.171 0.000 2.368 320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 320 D C -2.111 174.301 176.300 0.188 0.000 1.169 320 D CA -1.149 52.945 54.000 0.157 0.000 0.906 320 D CB 0.619 41.492 40.800 0.120 0.000 1.187 320 D HN 0.195 nan 8.370 nan 0.000 0.435 321 P HA -0.199 nan 4.420 nan 0.000 0.216 321 P C 1.003 178.474 177.300 0.286 0.000 1.153 321 P CA 1.532 64.736 63.100 0.173 0.000 0.858 321 P CB 0.110 31.881 31.700 0.117 0.000 0.789 322 K N -1.199 119.330 120.400 0.214 0.000 2.097 322 K HA -0.053 4.267 4.320 0.000 0.000 0.205 322 K C 1.954 178.678 176.600 0.208 0.000 1.050 322 K CA 1.601 58.008 56.287 0.200 0.000 0.938 322 K CB -0.703 31.880 32.500 0.138 0.000 0.718 322 K HN 0.156 nan 8.250 nan 0.000 0.442 323 T N 0.521 115.194 114.554 0.199 0.000 2.904 323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 323 T C 1.178 176.012 174.700 0.222 0.000 1.059 323 T CA 0.648 62.851 62.100 0.171 0.000 1.137 323 T CB -0.133 68.817 68.868 0.135 0.000 0.879 323 T HN 0.430 nan 8.240 nan 0.000 0.467 324 W N 2.150 123.520 121.300 0.117 0.000 2.381 324 W HA -0.063 4.597 4.660 0.000 0.000 0.301 324 W C 2.447 179.085 176.519 0.197 0.000 1.205 324 W CA 1.219 58.654 57.345 0.150 0.000 1.285 324 W CB -0.565 28.991 29.460 0.161 0.000 1.133 324 W HN 0.289 nan 8.180 nan 0.000 0.521 325 A N 0.882 123.996 122.820 0.490 0.000 1.972 325 A HA -0.059 4.261 4.320 0.000 0.000 0.219 325 A C 2.178 179.882 177.584 0.201 0.000 1.169 325 A CA 2.470 54.729 52.037 0.369 0.000 0.635 325 A CB -1.194 17.997 19.000 0.319 0.000 0.810 325 A HN 0.287 nan 8.150 nan 0.000 0.446 326 A N -0.740 122.172 122.820 0.153 0.000 1.902 326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 326 A C 2.095 179.710 177.584 0.053 0.000 1.181 326 A CA 1.690 53.780 52.037 0.088 0.000 0.623 326 A CB -0.461 18.583 19.000 0.073 0.000 0.818 326 A HN 0.509 nan 8.150 nan 0.000 0.443 327 Q N -0.442 119.366 119.800 0.014 0.000 2.124 327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 327 Q C 2.114 178.131 176.000 0.027 0.000 0.977 327 Q CA 2.010 57.791 55.803 -0.036 0.000 0.850 327 Q CB -1.323 27.308 28.738 -0.178 0.000 0.901 327 Q HN 0.636 nan 8.270 nan 0.000 0.429 328 T N 1.242 115.850 114.554 0.090 0.000 2.821 328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 328 T C 1.819 176.582 174.700 0.105 0.000 1.046 328 T CA 0.818 63.044 62.100 0.210 0.000 1.139 328 T CB -0.062 69.027 68.868 0.367 0.000 0.871 328 T HN 0.268 nan 8.240 nan 0.000 0.454 329 R N 0.727 121.268 120.500 0.069 0.000 2.159 329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 329 R C 2.445 178.749 176.300 0.006 0.000 1.131 329 R CA 0.797 56.908 56.100 0.018 0.000 0.982 329 R CB -0.084 30.231 30.300 0.026 0.000 0.868 329 R HN 0.242 nan 8.270 nan 0.000 0.453 330 R N 0.151 120.665 120.500 0.024 0.000 2.235 330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 330 R C 1.850 178.164 176.300 0.023 0.000 1.059 330 R CA 0.695 56.806 56.100 0.017 0.000 0.997 330 R CB 0.031 30.343 30.300 0.019 0.000 0.884 330 R HN 0.170 nan 8.270 nan 0.000 0.462 331 R N 0.450 120.977 120.500 0.045 0.000 2.146 331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 331 R C 2.031 178.314 176.300 -0.028 0.000 1.049 331 R CA 0.773 56.907 56.100 0.056 0.000 1.029 331 R CB 0.028 30.441 30.300 0.188 0.000 0.949 331 R HN 0.314 nan 8.270 nan 0.000 0.471 332 I N -3.940 116.574 120.570 -0.095 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.483 176.505 176.117 -0.158 0.000 1.473 332 I CA 0.099 61.288 61.300 -0.185 0.000 1.124 332 I CB 0.891 38.647 38.000 -0.406 0.000 1.129 332 I HN -0.036 nan 8.210 nan 0.000 0.428 333 A N 0.253 123.014 122.820 -0.098 0.000 2.861 333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 333 A C 0.644 178.178 177.584 -0.084 0.000 1.351 333 A CA 1.683 53.675 52.037 -0.076 0.000 0.904 333 A CB -2.305 16.654 19.000 -0.070 0.000 1.076 333 A HN 0.815 nan 8.150 nan 0.000 0.729 334 T N -1.868 112.618 114.554 -0.114 0.000 2.654 334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 334 T C -2.144 172.477 174.700 -0.133 0.000 1.656 334 T CA 0.134 62.171 62.100 -0.106 0.000 0.971 334 T CB 0.927 69.724 68.868 -0.119 0.000 1.811 334 T HN 0.284 nan 8.240 nan 0.000 0.483 335 D N 0.610 120.952 120.400 -0.098 0.000 2.181 335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 335 D C -0.252 175.964 176.300 -0.140 0.000 1.020 335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 335 D CB 0.814 41.628 40.800 0.023 0.000 1.187 335 D HN 0.330 nan 8.370 nan 0.000 0.443 336 F N 0.638 120.520 119.950 -0.113 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 336 F CA -1.254 56.602 58.000 -0.241 0.000 1.192 336 F CB 0.032 38.785 39.000 -0.412 0.000 1.256 336 F HN 0.079 nan 8.300 nan 0.000 0.558 337 P HA -0.003 nan 4.420 nan 0.000 0.270 337 P C -1.198 176.127 177.300 0.042 0.000 1.227 337 P CA -0.270 62.886 63.100 0.094 0.000 0.788 337 P CB 0.327 32.177 31.700 0.250 0.000 0.926 338 K N 1.096 121.530 120.400 0.058 0.000 2.530 338 K HA 0.144 4.464 4.320 0.000 0.000 0.280 338 K C 1.281 177.938 176.600 0.095 0.000 1.004 338 K CA 1.233 57.555 56.287 0.059 0.000 1.071 338 K CB -0.730 31.826 32.500 0.093 0.000 0.876 338 K HN 0.857 nan 8.250 nan 0.000 0.487 339 G N 1.176 109.982 108.800 0.009 0.000 2.179 339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 339 G C 0.017 174.862 174.900 -0.092 0.000 0.977 339 G CA 0.039 45.208 45.100 0.115 0.000 0.641 339 G HN 0.428 nan 8.290 nan 0.000 0.533 340 V N 1.037 120.729 119.914 -0.370 0.000 2.370 340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 340 V C -0.302 175.420 176.094 -0.620 0.000 1.029 340 V CA -0.768 61.319 62.300 -0.356 0.000 0.870 340 V CB 0.819 32.412 31.823 -0.384 0.000 0.984 340 V HN 0.252 nan 8.190 nan 0.000 0.451 341 Y N 4.265 124.609 120.300 0.073 0.000 2.376 341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 341 Y C -0.485 175.601 175.900 0.309 0.000 0.965 341 Y CA -0.773 57.474 58.100 0.244 0.000 1.078 341 Y CB 1.743 40.289 38.460 0.144 0.000 1.193 341 Y HN 0.639 nan 8.280 nan 0.000 0.452 342 Y N 2.443 123.033 120.300 0.483 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.124 175.060 175.900 0.474 0.000 1.021 342 Y CA -1.797 56.489 58.100 0.309 0.000 1.079 342 Y CB 1.698 40.256 38.460 0.163 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.544 125.560 119.300 -0.473 0.000 2.505 343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 343 C C -1.389 173.189 174.990 -0.687 0.000 1.121 343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 343 C CB -0.024 27.889 27.740 0.288 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.976 124.060 120.400 -0.527 0.000 2.274 344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 344 D C 0.036 176.293 176.300 -0.071 0.000 1.104 344 D CA 0.237 54.104 54.000 -0.221 0.000 0.840 344 D CB 0.790 41.600 40.800 0.016 0.000 1.100 344 D HN 0.708 nan 8.370 nan 0.000 0.477 345 N N 3.443 122.143 118.700 -0.000 0.000 2.451 345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 345 N C 1.085 176.617 175.510 0.037 0.000 1.410 345 N CA -0.160 52.901 53.050 0.019 0.000 0.884 345 N CB 0.710 39.216 38.487 0.032 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.479 121.011 120.500 0.053 0.000 2.081 346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 346 R C 0.775 177.087 176.300 0.021 0.000 1.131 346 R CA 1.146 57.275 56.100 0.048 0.000 0.960 346 R CB 0.099 30.464 30.300 0.108 0.000 0.856 346 R HN 0.117 nan 8.270 nan 0.000 0.436 347 D N 0.388 120.804 120.400 0.027 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.184 176.490 176.300 0.010 0.000 0.965 347 D CA 1.254 55.264 54.000 0.017 0.000 0.852 347 D CB 0.240 41.051 40.800 0.018 0.000 0.947 347 D HN 0.115 nan 8.370 nan 0.000 0.494 348 K N 0.821 121.229 120.400 0.012 0.000 2.752 348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 348 K C -2.754 173.859 176.600 0.022 0.000 1.069 348 K CA -1.427 54.869 56.287 0.015 0.000 1.033 348 K CB 2.480 34.986 32.500 0.011 0.000 1.229 348 K HN -0.127 nan 8.250 nan 0.000 0.572 349 P HA -0.028 nan 4.420 nan 0.000 0.266 349 P C -0.096 177.255 177.300 0.085 0.000 1.195 349 P CA -0.195 62.939 63.100 0.058 0.000 0.768 349 P CB 0.461 32.190 31.700 0.048 0.000 0.838 350 I N 3.743 124.353 120.570 0.067 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.048 176.195 176.117 0.209 0.000 1.134 350 I CA 0.410 61.697 61.300 -0.021 0.000 1.410 350 I CB -1.160 36.581 38.000 -0.432 0.000 1.392 350 I HN 0.419 nan 8.210 nan 0.000 0.545 351 Y N 6.238 126.541 120.300 0.006 0.000 2.317 351 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 351 Y C 1.097 177.002 175.900 0.009 0.000 1.101 351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 351 Y CB 1.344 39.834 38.460 0.050 0.000 1.123 351 Y HN 0.725 nan 8.280 nan 0.000 0.457 352 T N 1.364 115.788 114.554 -0.216 0.000 2.770 352 T HA 0.062 4.412 4.350 0.000 0.000 0.263 352 T C 1.945 176.456 174.700 -0.313 0.000 1.039 352 T CA 2.370 64.335 62.100 -0.225 0.000 1.142 352 T CB -0.626 68.138 68.868 -0.174 0.000 0.868 352 T HN 1.591 nan 8.240 nan 0.000 0.435 353 L N -2.137 118.798 121.223 -0.479 0.000 3.211 353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 353 L C 0.846 177.607 176.870 -0.181 0.000 0.707 353 L CA 2.509 57.123 54.840 -0.377 0.000 2.938 353 L CB -2.631 39.264 42.059 -0.273 0.000 0.825 353 L HN 1.426 nan 8.230 nan 0.000 0.704 354 Q N -1.851 117.866 119.800 -0.138 0.000 2.310 354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 354 Q C -0.494 175.486 176.000 -0.034 0.000 1.025 354 Q CA -0.277 55.493 55.803 -0.055 0.000 0.772 354 Q CB 0.849 29.564 28.738 -0.039 0.000 1.253 354 Q HN 1.701 nan 8.270 nan 0.000 0.450 355 Y N 1.556 121.802 120.300 -0.090 0.000 2.852 355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 355 Y C 1.609 177.472 175.900 -0.060 0.000 1.280 355 Y CA 2.276 60.327 58.100 -0.082 0.000 1.604 355 Y CB 0.140 38.548 38.460 -0.087 0.000 1.216 355 Y HN 1.375 nan 8.280 nan 0.000 0.541 356 G N 2.067 110.681 108.800 -0.311 0.000 2.157 356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 356 G C 0.800 175.665 174.900 -0.058 0.000 0.979 356 G CA 0.691 45.709 45.100 -0.136 0.000 0.650 356 G HN 1.080 nan 8.290 nan 0.000 0.529 357 N N -1.054 117.606 118.700 -0.067 0.000 2.364 357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 357 N C 0.986 176.477 175.510 -0.033 0.000 1.022 357 N CA 2.025 55.048 53.050 -0.045 0.000 0.883 357 N CB 0.152 38.603 38.487 -0.060 0.000 0.965 357 N HN 1.059 nan 8.380 nan 0.000 0.438 358 V N -1.050 118.847 119.914 -0.028 0.000 2.789 358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 358 V C 0.372 176.569 176.094 0.172 0.000 1.073 358 V CA -0.657 61.661 62.300 0.029 0.000 0.921 358 V CB 1.506 33.294 31.823 -0.058 0.000 1.009 358 V HN 0.526 nan 8.190 nan 0.000 0.426 359 G N 1.606 110.519 108.800 0.187 0.000 2.619 359 G HA2 0.674 4.634 3.960 0.000 0.000 0.296 359 G HA3 0.674 4.634 3.960 0.000 0.000 0.296 359 G C -1.939 173.106 174.900 0.242 0.000 1.334 359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 359 G HN 0.487 nan 8.290 nan 0.000 0.476 360 F N 1.833 121.780 119.950 -0.006 0.000 2.410 360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 360 F C -0.220 175.554 175.800 -0.044 0.000 1.117 360 F CA -0.512 57.512 58.000 0.040 0.000 1.104 360 F CB 1.652 40.614 39.000 -0.062 0.000 1.122 360 F HN 0.271 nan 8.300 nan 0.000 0.483 361 V N 6.541 126.146 119.914 -0.516 0.000 2.513 361 V HA 0.588 4.708 4.120 0.000 0.000 0.299 361 V C -0.811 175.031 176.094 -0.420 0.000 1.035 361 V CA -0.871 61.240 62.300 -0.314 0.000 0.889 361 V CB 1.612 33.339 31.823 -0.160 0.000 0.988 361 V HN 0.561 nan 8.190 nan 0.000 0.440 362 V N 3.929 123.706 119.914 -0.229 0.000 2.482 362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 362 V C -0.383 175.496 176.094 -0.359 0.000 1.026 362 V CA -0.632 61.467 62.300 -0.335 0.000 0.856 362 V CB 1.938 33.591 31.823 -0.282 0.000 1.001 362 V HN 0.896 nan 8.190 nan 0.000 0.424 363 N N 7.081 125.424 118.700 -0.596 0.000 2.546 363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 363 N C -2.729 172.487 175.510 -0.490 0.000 0.984 363 N CA -1.616 51.067 53.050 -0.612 0.000 0.935 363 N CB 2.500 40.307 38.487 -1.134 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.144 nan 4.420 nan 0.000 0.279 364 P C 0.200 177.428 177.300 -0.120 0.000 1.239 364 P CA -0.198 62.763 63.100 -0.230 0.000 0.789 364 P CB 2.091 33.648 31.700 -0.237 0.000 0.933 365 K N 1.629 122.003 120.400 -0.043 0.000 2.128 365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 365 K C 0.516 177.115 176.600 -0.002 0.000 1.050 365 K CA 1.039 57.311 56.287 -0.025 0.000 0.966 365 K CB 0.157 32.654 32.500 -0.006 0.000 0.759 365 K HN 0.646 nan 8.250 nan 0.000 0.454 366 T N -1.427 113.146 114.554 0.032 0.000 2.886 366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 366 T C -0.861 173.870 174.700 0.051 0.000 1.012 366 T CA -0.929 61.181 62.100 0.016 0.000 0.982 366 T CB 2.023 70.883 68.868 -0.013 0.000 1.018 366 T HN -0.180 nan 8.240 nan 0.000 0.451 367 V N 4.147 124.072 119.914 0.019 0.000 2.443 367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 367 V C -0.321 175.753 176.094 -0.034 0.000 1.021 367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 367 V CB 1.313 33.144 31.823 0.013 0.000 0.998 367 V HN 0.900 nan 8.190 nan 0.000 0.424 368 N N 2.559 121.210 118.700 -0.080 0.000 2.413 368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 368 N C -0.022 175.444 175.510 -0.073 0.000 1.238 368 N CA -0.654 52.340 53.050 -0.093 0.000 0.972 368 N CB 0.518 38.919 38.487 -0.143 0.000 1.210 368 N HN 0.541 nan 8.380 nan 0.000 0.547 369 Q N 1.221 120.983 119.800 -0.064 0.000 2.337 369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 369 Q C -0.094 175.873 176.000 -0.054 0.000 1.002 369 Q CA 0.364 56.139 55.803 -0.048 0.000 0.888 369 Q CB 0.097 28.812 28.738 -0.037 0.000 1.222 369 Q HN 0.471 nan 8.270 nan 0.000 0.400 370 N N -1.130 117.547 118.700 -0.038 0.000 2.776 370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 370 N C -0.728 174.756 175.510 -0.044 0.000 1.111 370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 370 N CB -1.289 37.182 38.487 -0.027 0.000 1.065 370 N HN 0.676 nan 8.380 nan 0.000 0.556 371 A N 0.775 123.567 122.820 -0.046 0.000 2.351 371 A HA 0.701 5.021 4.320 0.000 0.000 0.257 371 A C 0.870 178.450 177.584 -0.007 0.000 1.087 371 A CA 0.180 52.204 52.037 -0.022 0.000 0.798 371 A CB 0.674 19.700 19.000 0.044 0.000 1.033 371 A HN 0.479 nan 8.150 nan 0.000 0.488 372 R N 0.548 121.079 120.500 0.051 0.000 2.709 372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 372 R C -2.142 174.220 176.300 0.104 0.000 1.038 372 R CA -0.928 55.186 56.100 0.023 0.000 0.872 372 R CB 0.786 31.121 30.300 0.058 0.000 1.259 372 R HN 0.452 nan 8.270 nan 0.000 0.473 373 L N 2.516 123.788 121.223 0.081 0.000 2.296 373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 373 L C -0.680 176.292 176.870 0.170 0.000 1.023 373 L CA -1.045 53.876 54.840 0.135 0.000 0.812 373 L CB 1.648 43.789 42.059 0.138 0.000 1.223 373 L HN 0.447 nan 8.230 nan 0.000 0.421 374 L N 4.769 126.120 121.223 0.212 0.000 2.262 374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 374 L C -0.100 176.874 176.870 0.173 0.000 1.035 374 L CA -0.286 54.712 54.840 0.263 0.000 0.820 374 L CB 1.131 43.467 42.059 0.461 0.000 1.204 374 L HN 0.487 nan 8.230 nan 0.000 0.424 375 M N 2.407 122.008 119.600 0.003 0.000 2.367 375 M HA 0.548 5.028 4.480 0.000 0.000 0.339 375 M C 0.378 176.388 176.300 -0.484 0.000 1.177 375 M CA -0.381 54.738 55.300 -0.301 0.000 1.068 375 M CB 1.448 33.825 32.600 -0.372 0.000 1.602 375 M HN 0.564 nan 8.290 nan 0.000 0.457 376 G N 2.448 110.771 108.800 -0.795 0.000 2.687 376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 376 G C -2.034 172.396 174.900 -0.783 0.000 1.416 376 G CA -0.285 44.134 45.100 -1.135 0.000 1.005 376 G HN 0.581 nan 8.290 nan 0.000 0.509 377 Y N 0.194 120.496 120.300 0.003 0.000 2.499 377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 377 Y C 0.285 176.418 175.900 0.389 0.000 0.987 377 Y CA -0.909 57.399 58.100 0.347 0.000 1.044 377 Y CB 2.738 41.525 38.460 0.545 0.000 1.245 377 Y HN 0.420 nan 8.280 nan 0.000 0.461 378 E N 2.366 122.874 120.200 0.514 0.000 2.176 378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 378 E C -1.725 175.019 176.600 0.239 0.000 0.893 378 E CA -0.758 55.785 56.400 0.238 0.000 0.761 378 E CB 1.690 31.563 29.700 0.289 0.000 1.133 378 E HN 0.560 nan 8.360 nan 0.000 0.409 379 Y N 0.850 121.135 120.300 -0.025 0.000 2.670 379 Y HA 0.587 5.137 4.550 0.000 0.000 0.334 379 Y C -1.702 174.132 175.900 -0.109 0.000 1.185 379 Y CA -1.446 56.545 58.100 -0.181 0.000 1.053 379 Y CB 1.017 39.219 38.460 -0.430 0.000 1.298 379 Y HN 0.306 nan 8.280 nan 0.000 0.459 380 F N 0.650 120.698 119.950 0.163 0.000 2.522 380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 380 F C 0.119 175.971 175.800 0.086 0.000 1.077 380 F CA -0.944 57.101 58.000 0.074 0.000 0.944 380 F CB 2.562 41.557 39.000 -0.009 0.000 1.175 380 F HN 0.722 nan 8.300 nan 0.000 0.468 381 T N 1.121 115.820 114.554 0.242 0.000 2.957 381 T HA 0.278 4.628 4.350 0.000 0.000 0.336 381 T C -1.063 173.687 174.700 0.083 0.000 1.462 381 T CA -0.779 61.411 62.100 0.150 0.000 1.073 381 T CB 1.214 70.128 68.868 0.078 0.000 1.319 381 T HN 0.694 nan 8.240 nan 0.000 0.485 382 S N 3.248 118.996 115.700 0.080 0.000 2.580 382 S HA 0.356 4.826 4.470 0.000 0.000 0.274 382 S C 1.256 175.882 174.600 0.044 0.000 1.329 382 S CA -0.570 57.655 58.200 0.041 0.000 1.036 382 S CB 0.946 64.172 63.200 0.043 0.000 0.919 382 S HN 0.805 nan 8.310 nan 0.000 0.515 383 R N 1.626 122.139 120.500 0.022 0.000 2.193 383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 383 R C 1.641 177.964 176.300 0.039 0.000 1.110 383 R CA 1.038 57.151 56.100 0.021 0.000 0.988 383 R CB -1.759 28.553 30.300 0.021 0.000 0.871 383 R HN 1.083 nan 8.270 nan 0.000 0.458 384 T N -0.551 114.028 114.554 0.043 0.000 0.543 384 T HA -0.187 4.163 4.350 0.000 0.000 0.774 384 T C 0.285 175.009 174.700 0.039 0.000 0.992 384 T CA 1.754 63.881 62.100 0.046 0.000 4.076 384 T CB -0.834 68.070 68.868 0.060 0.000 2.302 384 T HN 0.572 nan 8.240 nan 0.000 0.398 385 E N 0.000 120.223 120.200 0.038 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440