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 1a4e_1_B DATA FIRST_RESID 15 DATA SEQUENCE DVREDRVVTN STGNPINEPF VTQRIGEHGP LLLQDYNLID SLAHFNRENI DATA SEQUENCE PQRNPHAHGS GAFGYFEVTD DITDICGSAM FSKIGKRTKC LTRFSTVGGD DATA SEQUENCE KGSADTVRDP RGFATKFYTE EGNLDWVYNN TPVFFIRDPS KFPHFIHTQK DATA SEQUENCE RNPQTNLRDA DMFWDFLTTP ENQVAIHQVM ILFSDRGTPA NYRSMHGYSG DATA SEQUENCE HTYKWSNKNG DWHYVQVHIK TDQGIKNLTI EEATKIAGSN PDYCQQDLFE DATA SEQUENCE AIQNGNYPSW TVYIQTMTER DAKKLPFSVF DLTKVWPQGQ FPLRRVGKIV DATA SEQUENCE LNENPLNFFA QVEQAAFAPS TTVPYQEASA DPVLQARLFS YADAHRYRLG DATA SEQUENCE PNFHQIPVNC PYASKFFNPA IRDGPMNVNG NFGSEPTYLA NDKSYTYIQQ DATA SEQUENCE DRPIQQHQEV WNGPAIPYHW ATSPGDVDFV QARNLYRVLG KQPGQQKNLA DATA SEQUENCE YNIGIHVEGA CPQIQQRVYD MFARVDKGLS EAIKKVAE 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 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.294 176.300 -0.009 0.000 2.045 15 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 15 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 16 V N 2.206 122.115 119.914 -0.008 0.000 2.472 16 V HA 0.370 4.491 4.120 0.000 0.000 0.290 16 V C 0.683 176.770 176.094 -0.011 0.000 1.037 16 V CA -0.819 61.477 62.300 -0.008 0.000 0.908 16 V CB 1.615 33.436 31.823 -0.003 0.000 0.985 16 V HN 0.406 nan 8.190 nan 0.000 0.454 17 R N 2.885 123.377 120.500 -0.013 0.000 2.522 17 R HA 0.175 4.516 4.340 0.000 0.000 0.284 17 R C 0.589 176.882 176.300 -0.012 0.000 1.032 17 R CA -0.082 56.010 56.100 -0.013 0.000 1.049 17 R CB 0.539 30.831 30.300 -0.015 0.000 0.956 17 R HN 0.718 nan 8.270 nan 0.000 0.422 18 E N 1.639 121.832 120.200 -0.011 0.000 2.085 18 E HA -0.251 4.099 4.350 0.000 0.000 0.194 18 E C 0.901 177.495 176.600 -0.010 0.000 0.994 18 E CA 1.786 58.180 56.400 -0.010 0.000 0.801 18 E CB -0.040 29.654 29.700 -0.010 0.000 0.743 18 E HN 0.836 nan 8.360 nan 0.000 0.453 19 D N 0.230 120.623 120.400 -0.011 0.000 2.348 19 D HA -0.134 4.506 4.640 0.000 0.000 0.216 19 D C 0.175 176.467 176.300 -0.013 0.000 0.970 19 D CA 0.243 54.236 54.000 -0.011 0.000 0.889 19 D CB -0.294 40.499 40.800 -0.012 0.000 0.912 19 D HN 0.007 nan 8.370 nan 0.000 0.524 20 R N -0.861 119.630 120.500 -0.014 0.000 3.516 20 R HA -0.126 4.214 4.340 0.000 0.000 0.271 20 R C -0.726 175.560 176.300 -0.022 0.000 1.098 20 R CA 0.202 56.292 56.100 -0.016 0.000 0.732 20 R CB -2.296 27.996 30.300 -0.013 0.000 1.152 20 R HN 0.150 nan 8.270 nan 0.000 0.455 21 V N 1.544 121.445 119.914 -0.022 0.000 2.470 21 V HA 0.091 4.212 4.120 0.000 0.000 0.276 21 V C 1.017 177.092 176.094 -0.032 0.000 1.040 21 V CA -0.118 62.166 62.300 -0.026 0.000 1.008 21 V CB 1.574 33.384 31.823 -0.021 0.000 0.990 21 V HN 0.039 nan 8.190 nan 0.000 0.477 22 V N 5.993 125.882 119.914 -0.043 0.000 2.488 22 V HA 0.446 4.566 4.120 0.000 0.000 0.277 22 V C 0.624 176.691 176.094 -0.045 0.000 1.046 22 V CA 0.050 62.319 62.300 -0.052 0.000 0.986 22 V CB 1.206 32.982 31.823 -0.078 0.000 0.989 22 V HN 1.090 nan 8.190 nan 0.000 0.475 23 T N 1.504 116.036 114.554 -0.037 0.000 2.888 23 T HA 0.571 4.921 4.350 0.000 0.000 0.288 23 T C -0.260 174.428 174.700 -0.021 0.000 1.063 23 T CA -0.984 61.102 62.100 -0.023 0.000 1.010 23 T CB 1.948 70.806 68.868 -0.017 0.000 1.214 23 T HN 0.622 nan 8.240 nan 0.000 0.533 24 N N 0.034 118.735 118.700 0.002 0.000 2.495 24 N HA 0.300 5.040 4.740 0.000 0.000 0.294 24 N C 1.174 176.682 175.510 -0.003 0.000 1.276 24 N CA -0.549 52.508 53.050 0.012 0.000 0.973 24 N CB -0.484 38.042 38.487 0.064 0.000 1.143 24 N HN 0.499 nan 8.380 nan 0.000 0.589 25 S N -1.484 114.215 115.700 -0.001 0.000 2.400 25 S HA -0.124 4.346 4.470 0.000 0.000 0.232 25 S C 1.071 175.667 174.600 -0.007 0.000 1.025 25 S CA 1.695 59.887 58.200 -0.013 0.000 0.993 25 S CB -0.825 62.378 63.200 0.004 0.000 0.808 25 S HN 0.861 nan 8.310 nan 0.000 0.478 26 T N -1.761 112.792 114.554 -0.000 0.000 3.223 26 T HA 0.509 4.859 4.350 0.000 0.000 0.259 26 T C 1.186 175.880 174.700 -0.010 0.000 1.015 26 T CA 0.410 62.504 62.100 -0.009 0.000 0.908 26 T CB 0.316 69.172 68.868 -0.020 0.000 1.054 26 T HN 0.448 nan 8.240 nan 0.000 0.567 27 G N 1.716 110.512 108.800 -0.007 0.000 2.162 27 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 27 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 27 G C -0.245 174.654 174.900 -0.003 0.000 0.976 27 G CA -0.258 44.837 45.100 -0.009 0.000 0.655 27 G HN 0.679 nan 8.290 nan 0.000 0.533 28 N N 2.518 121.223 118.700 0.008 0.000 2.458 28 N HA 0.480 5.220 4.740 0.000 0.000 0.270 28 N C -2.274 173.248 175.510 0.020 0.000 1.102 28 N CA -1.198 51.864 53.050 0.020 0.000 0.967 28 N CB 1.450 39.963 38.487 0.043 0.000 1.078 28 N HN 0.158 nan 8.380 nan 0.000 0.471 29 P HA 0.039 nan 4.420 nan 0.000 0.271 29 P C -0.497 176.800 177.300 -0.005 0.000 1.220 29 P CA 0.269 63.367 63.100 -0.004 0.000 0.768 29 P CB 0.806 32.502 31.700 -0.008 0.000 0.848 30 I N 4.182 124.738 120.570 -0.025 0.000 2.352 30 I HA 0.063 4.233 4.170 0.000 0.000 0.290 30 I C 1.713 177.798 176.117 -0.052 0.000 1.036 30 I CA -0.333 60.942 61.300 -0.042 0.000 1.336 30 I CB 0.724 38.683 38.000 -0.068 0.000 1.407 30 I HN 0.371 nan 8.210 nan 0.000 0.497 31 N N 4.870 123.543 118.700 -0.046 0.000 2.412 31 N HA 0.005 4.745 4.740 0.000 0.000 0.184 31 N C 0.081 175.559 175.510 -0.054 0.000 1.101 31 N CA 0.403 53.428 53.050 -0.043 0.000 0.881 31 N CB 0.393 38.863 38.487 -0.028 0.000 0.969 31 N HN 0.514 nan 8.380 nan 0.000 0.459 32 E N 0.247 120.402 120.200 -0.074 0.000 2.343 32 E HA 0.193 4.543 4.350 0.000 0.000 0.286 32 E C -2.260 174.250 176.600 -0.151 0.000 0.915 32 E CA -1.295 55.054 56.400 -0.085 0.000 0.784 32 E CB 2.263 31.936 29.700 -0.044 0.000 1.251 32 E HN -0.112 nan 8.360 nan 0.000 0.407 33 P HA -0.046 nan 4.420 nan 0.000 0.218 33 P C 0.744 177.654 177.300 -0.650 0.000 1.148 33 P CA 1.090 63.842 63.100 -0.581 0.000 0.822 33 P CB 0.147 31.298 31.700 -0.916 0.000 0.784 34 F N -0.748 119.183 119.950 -0.031 0.000 2.706 34 F HA 0.133 4.660 4.527 0.000 0.000 0.313 34 F C 1.013 176.788 175.800 -0.041 0.000 1.096 34 F CA -0.934 57.045 58.000 -0.036 0.000 1.219 34 F CB -0.572 38.409 39.000 -0.031 0.000 1.051 34 F HN -0.305 nan 8.300 nan 0.000 0.568 35 V N 0.514 120.474 119.914 0.077 0.000 2.655 35 V HA 0.510 4.630 4.120 0.000 0.000 0.300 35 V C 0.229 176.322 176.094 -0.001 0.000 1.044 35 V CA -0.286 62.031 62.300 0.029 0.000 1.095 35 V CB 0.230 32.047 31.823 -0.010 0.000 0.952 35 V HN 0.332 nan 8.190 nan 0.000 0.485 36 T N 2.108 116.657 114.554 -0.008 0.000 2.861 36 T HA 0.528 4.878 4.350 0.000 0.000 0.287 36 T C -0.582 174.092 174.700 -0.042 0.000 1.003 36 T CA -0.758 61.324 62.100 -0.031 0.000 0.977 36 T CB 1.619 70.478 68.868 -0.015 0.000 0.996 36 T HN 0.796 nan 8.240 nan 0.000 0.448 37 Q N 2.119 121.883 119.800 -0.060 0.000 2.304 37 Q HA 0.473 4.813 4.340 0.000 0.000 0.260 37 Q C 0.279 176.255 176.000 -0.040 0.000 0.965 37 Q CA -0.430 55.339 55.803 -0.056 0.000 0.898 37 Q CB 0.938 29.633 28.738 -0.071 0.000 1.196 37 Q HN 0.705 nan 8.270 nan 0.000 0.402 38 R N 1.082 121.560 120.500 -0.037 0.000 2.781 38 R HA 0.490 4.830 4.340 0.000 0.000 0.269 38 R C -1.042 175.241 176.300 -0.028 0.000 1.025 38 R CA -1.033 55.051 56.100 -0.027 0.000 0.914 38 R CB 0.765 31.049 30.300 -0.026 0.000 1.236 38 R HN 0.354 nan 8.270 nan 0.000 0.465 39 I N 2.025 122.585 120.570 -0.018 0.000 2.396 39 I HA 0.250 4.420 4.170 0.000 0.000 0.289 39 I C 1.329 177.432 176.117 -0.022 0.000 1.056 39 I CA 1.509 62.800 61.300 -0.016 0.000 1.365 39 I CB -0.162 37.835 38.000 -0.006 0.000 1.407 39 I HN 1.027 nan 8.210 nan 0.000 0.509 40 G N 7.121 115.902 108.800 -0.032 0.000 2.598 40 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 40 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 40 G C 0.520 175.362 174.900 -0.096 0.000 1.302 40 G CA 0.110 45.181 45.100 -0.047 0.000 0.903 40 G HN 0.625 nan 8.290 nan 0.000 0.575 41 E N -0.269 119.830 120.200 -0.170 0.000 2.340 41 E HA 0.092 4.442 4.350 0.000 0.000 0.194 41 E C 0.748 177.032 176.600 -0.527 0.000 0.996 41 E CA 0.556 56.730 56.400 -0.376 0.000 0.869 41 E CB 0.226 29.601 29.700 -0.542 0.000 0.835 41 E HN 0.531 nan 8.360 nan 0.000 0.493 42 H N -0.631 118.434 119.070 -0.008 0.000 2.750 42 H HA 0.282 4.838 4.556 0.000 0.000 0.239 42 H C 0.367 175.690 175.328 -0.009 0.000 1.210 42 H CA -0.051 55.991 56.048 -0.009 0.000 0.936 42 H CB 0.609 30.366 29.762 -0.009 0.000 2.074 42 H HN 0.026 nan 8.280 nan 0.000 0.622 43 G N 1.760 110.590 108.800 0.050 0.000 2.537 43 G HA2 0.345 4.305 3.960 0.000 0.000 0.297 43 G HA3 0.345 4.305 3.960 0.000 0.000 0.297 43 G C -2.164 172.749 174.900 0.022 0.000 1.310 43 G CA -1.215 43.904 45.100 0.032 0.000 1.027 43 G HN -0.038 nan 8.290 nan 0.000 0.505 44 P HA 0.201 nan 4.420 nan 0.000 0.272 44 P C -0.552 176.749 177.300 0.003 0.000 1.223 44 P CA -0.540 62.566 63.100 0.009 0.000 0.784 44 P CB 1.099 32.804 31.700 0.008 0.000 0.923 45 L N 2.022 123.246 121.223 0.001 0.000 2.439 45 L HA 0.136 4.476 4.340 0.000 0.000 0.269 45 L C 0.528 177.395 176.870 -0.004 0.000 1.179 45 L CA 0.216 55.053 54.840 -0.005 0.000 0.828 45 L CB -0.309 41.747 42.059 -0.004 0.000 1.106 45 L HN 0.262 nan 8.230 nan 0.000 0.467 46 L N 4.164 125.380 121.223 -0.011 0.000 2.309 46 L HA 0.245 4.585 4.340 0.000 0.000 0.282 46 L C 1.296 178.165 176.870 -0.002 0.000 1.036 46 L CA -0.545 54.291 54.840 -0.007 0.000 0.806 46 L CB 1.244 43.295 42.059 -0.013 0.000 1.220 46 L HN 0.611 nan 8.230 nan 0.000 0.429 47 L N 1.952 123.182 121.223 0.012 0.000 2.187 47 L HA -0.233 4.107 4.340 0.000 0.000 0.213 47 L C 2.420 179.314 176.870 0.041 0.000 1.100 47 L CA 1.474 56.329 54.840 0.026 0.000 0.765 47 L CB -0.094 41.984 42.059 0.031 0.000 0.904 47 L HN 0.867 nan 8.230 nan 0.000 0.437 48 Q N -0.280 119.540 119.800 0.034 0.000 2.297 48 Q HA -0.224 4.116 4.340 0.000 0.000 0.208 48 Q C 0.445 176.434 176.000 -0.018 0.000 0.981 48 Q CA 0.981 56.816 55.803 0.054 0.000 0.876 48 Q CB 0.051 28.806 28.738 0.029 0.000 0.921 48 Q HN 0.275 nan 8.270 nan 0.000 0.446 49 D N 0.143 120.489 120.400 -0.090 0.000 2.508 49 D HA -0.041 4.599 4.640 0.000 0.000 0.224 49 D C 0.324 176.516 176.300 -0.180 0.000 1.171 49 D CA -0.279 53.581 54.000 -0.234 0.000 1.006 49 D CB -0.048 40.664 40.800 -0.148 0.000 1.073 49 D HN 0.351 nan 8.370 nan 0.000 0.513 50 Y N 1.403 121.707 120.300 0.007 0.000 2.439 50 Y HA 0.051 4.601 4.550 0.000 0.000 0.292 50 Y C 1.533 177.440 175.900 0.011 0.000 1.130 50 Y CA 0.180 58.286 58.100 0.010 0.000 1.254 50 Y CB -0.571 37.894 38.460 0.008 0.000 1.000 50 Y HN 0.098 nan 8.280 nan 0.000 0.554 51 N N 0.807 119.419 118.700 -0.147 0.000 2.270 51 N HA -0.099 4.641 4.740 0.000 0.000 0.181 51 N C 1.699 177.201 175.510 -0.012 0.000 1.016 51 N CA 1.105 54.141 53.050 -0.024 0.000 0.870 51 N CB -0.388 38.032 38.487 -0.113 0.000 0.979 51 N HN 0.419 nan 8.380 nan 0.000 0.431 52 L N 1.091 122.287 121.223 -0.045 0.000 2.027 52 L HA 0.048 4.389 4.340 0.000 0.000 0.206 52 L C 1.856 178.740 176.870 0.025 0.000 1.074 52 L CA 1.364 56.197 54.840 -0.010 0.000 0.745 52 L CB -0.492 41.552 42.059 -0.024 0.000 0.898 52 L HN 0.074 nan 8.230 nan 0.000 0.433 53 I N -0.325 120.269 120.570 0.040 0.000 2.394 53 I HA -0.235 3.935 4.170 0.000 0.000 0.251 53 I C 2.109 178.279 176.117 0.088 0.000 1.136 53 I CA 1.356 62.695 61.300 0.065 0.000 1.425 53 I CB -0.434 37.609 38.000 0.072 0.000 1.079 53 I HN 0.390 nan 8.210 nan 0.000 0.425 54 D N 0.257 120.717 120.400 0.100 0.000 2.117 54 D HA -0.219 4.421 4.640 0.000 0.000 0.197 54 D C 2.270 178.640 176.300 0.116 0.000 0.987 54 D CA 1.748 55.814 54.000 0.110 0.000 0.829 54 D CB 0.046 40.912 40.800 0.111 0.000 0.961 54 D HN 0.122 nan 8.370 nan 0.000 0.460 55 S N -1.202 114.553 115.700 0.091 0.000 2.357 55 S HA -0.013 4.457 4.470 0.000 0.000 0.221 55 S C 2.152 176.842 174.600 0.149 0.000 1.031 55 S CA 0.734 58.994 58.200 0.100 0.000 0.982 55 S CB -0.392 62.842 63.200 0.055 0.000 0.853 55 S HN 0.335 nan 8.310 nan 0.000 0.458 56 L N 1.033 122.322 121.223 0.110 0.000 2.093 56 L HA -0.028 4.312 4.340 0.000 0.000 0.208 56 L C 2.902 179.886 176.870 0.189 0.000 1.085 56 L CA 1.229 56.145 54.840 0.128 0.000 0.755 56 L CB -0.695 41.403 42.059 0.064 0.000 0.904 56 L HN 0.413 nan 8.230 nan 0.000 0.435 57 A N -1.344 121.563 122.820 0.145 0.000 1.968 57 A HA -0.225 4.095 4.320 0.000 0.000 0.217 57 A C 2.238 179.886 177.584 0.106 0.000 1.169 57 A CA 1.134 53.239 52.037 0.113 0.000 0.638 57 A CB -0.725 18.327 19.000 0.087 0.000 0.812 57 A HN 0.421 nan 8.150 nan 0.000 0.446 58 H N -1.821 117.299 119.070 0.084 0.000 2.395 58 H HA -0.087 4.469 4.556 0.000 0.000 0.299 58 H C 1.834 177.198 175.328 0.060 0.000 1.070 58 H CA 1.659 57.739 56.048 0.054 0.000 1.356 58 H CB -0.215 29.577 29.762 0.049 0.000 1.401 58 H HN 0.511 nan 8.280 nan 0.000 0.524 59 F N 2.157 122.169 119.950 0.102 0.000 2.134 59 F HA -0.199 4.328 4.527 0.000 0.000 0.299 59 F C 1.907 177.700 175.800 -0.012 0.000 1.097 59 F CA 1.341 59.368 58.000 0.046 0.000 1.264 59 F CB -0.323 38.704 39.000 0.044 0.000 1.001 59 F HN 0.060 nan 8.300 nan 0.000 0.479 60 N N 0.601 119.330 118.700 0.048 0.000 2.519 60 N HA -0.102 4.638 4.740 0.000 0.000 0.186 60 N C 0.836 176.253 175.510 -0.155 0.000 1.062 60 N CA 0.920 53.935 53.050 -0.057 0.000 0.910 60 N CB -0.289 38.228 38.487 0.049 0.000 0.958 60 N HN 0.416 nan 8.380 nan 0.000 0.445 61 R N -0.086 120.288 120.500 -0.210 0.000 2.652 61 R HA 0.222 4.562 4.340 0.000 0.000 0.372 61 R C 0.681 176.798 176.300 -0.305 0.000 1.104 61 R CA -0.083 55.872 56.100 -0.242 0.000 1.072 61 R CB 0.510 30.654 30.300 -0.260 0.000 1.367 61 R HN 0.247 nan 8.270 nan 0.000 0.577 62 E N 0.538 120.543 120.200 -0.325 0.000 2.152 62 E HA -0.022 4.328 4.350 0.000 0.000 0.192 62 E C 0.050 176.482 176.600 -0.280 0.000 0.983 62 E CA 0.609 56.806 56.400 -0.339 0.000 0.818 62 E CB 0.223 29.705 29.700 -0.364 0.000 0.758 62 E HN 0.234 nan 8.360 nan 0.000 0.467 63 N N 1.324 119.920 118.700 -0.172 0.000 2.498 63 N HA 0.225 4.965 4.740 0.000 0.000 0.287 63 N C -0.027 175.494 175.510 0.019 0.000 1.097 63 N CA -0.108 52.921 53.050 -0.035 0.000 0.973 63 N CB 1.291 39.752 38.487 -0.043 0.000 1.153 63 N HN 0.105 nan 8.380 nan 0.000 0.472 64 I N -1.642 118.998 120.570 0.116 0.000 2.863 64 I HA 0.649 4.819 4.170 0.000 0.000 0.311 64 I C -2.268 173.868 176.117 0.032 0.000 1.026 64 I CA -2.403 58.931 61.300 0.056 0.000 1.077 64 I CB 0.983 39.035 38.000 0.086 0.000 1.262 64 I HN 0.157 nan 8.210 nan 0.000 0.461 65 P HA 0.098 nan 4.420 nan 0.000 0.268 65 P C -1.163 176.170 177.300 0.055 0.000 1.205 65 P CA -0.234 62.883 63.100 0.027 0.000 0.771 65 P CB 0.454 32.176 31.700 0.036 0.000 0.858 66 Q N 2.022 121.869 119.800 0.077 0.000 2.394 66 Q HA 0.228 4.568 4.340 0.000 0.000 0.248 66 Q C -0.175 175.879 176.000 0.090 0.000 0.992 66 Q CA -0.653 55.204 55.803 0.089 0.000 0.888 66 Q CB 0.712 29.510 28.738 0.101 0.000 1.257 66 Q HN 0.268 nan 8.270 nan 0.000 0.462 67 R N 1.281 121.836 120.500 0.092 0.000 2.638 67 R HA -0.043 4.297 4.340 0.000 0.000 0.268 67 R C -0.543 175.817 176.300 0.100 0.000 1.006 67 R CA 0.457 56.613 56.100 0.094 0.000 1.088 67 R CB 0.184 30.552 30.300 0.113 0.000 0.950 67 R HN 0.608 nan 8.270 nan 0.000 0.419 68 N N 3.676 122.424 118.700 0.081 0.000 2.573 68 N HA 0.283 5.023 4.740 0.000 0.000 0.262 68 N C -2.333 173.241 175.510 0.106 0.000 1.029 68 N CA -1.526 51.570 53.050 0.077 0.000 0.882 68 N CB 1.024 39.544 38.487 0.055 0.000 1.204 68 N HN 0.349 nan 8.380 nan 0.000 0.519 69 P HA 0.344 nan 4.420 nan 0.000 0.344 69 P C -0.740 176.734 177.300 0.290 0.000 1.321 69 P CA 0.065 63.272 63.100 0.179 0.000 0.773 69 P CB 0.619 32.404 31.700 0.141 0.000 1.723 70 H N -2.284 116.857 119.070 0.120 0.000 2.826 70 H HA -0.131 4.425 4.556 0.000 0.000 0.306 70 H C 1.209 176.610 175.328 0.122 0.000 1.235 70 H CA 0.376 56.503 56.048 0.131 0.000 1.150 70 H CB -1.622 28.215 29.762 0.124 0.000 1.409 70 H HN 0.542 nan 8.280 nan 0.000 0.420 71 A N 0.118 123.059 122.820 0.201 0.000 1.933 71 A HA -0.140 4.180 4.320 0.000 0.000 0.218 71 A C 1.116 178.839 177.584 0.230 0.000 1.175 71 A CA 1.517 53.664 52.037 0.184 0.000 0.628 71 A CB -0.170 18.919 19.000 0.148 0.000 0.814 71 A HN 0.515 nan 8.150 nan 0.000 0.444 72 H N -1.103 118.057 119.070 0.150 0.000 2.517 72 H HA 0.544 5.100 4.556 0.000 0.000 0.317 72 H C 0.260 175.717 175.328 0.215 0.000 1.080 72 H CA 0.403 56.554 56.048 0.172 0.000 1.301 72 H CB 0.768 30.613 29.762 0.138 0.000 1.425 72 H HN 0.382 nan 8.280 nan 0.000 0.471 73 G N 1.848 110.526 108.800 -0.204 0.000 2.606 73 G HA2 0.512 4.473 3.960 0.000 0.000 0.300 73 G HA3 0.512 4.473 3.960 0.000 0.000 0.300 73 G C -1.574 173.380 174.900 0.089 0.000 1.360 73 G CA -0.671 44.407 45.100 -0.037 0.000 0.783 73 G HN 0.646 nan 8.290 nan 0.000 0.484 74 S N -2.045 113.726 115.700 0.118 0.000 2.579 74 S HA 0.928 5.398 4.470 0.000 0.000 0.272 74 S C -0.189 174.462 174.600 0.085 0.000 1.141 74 S CA -0.082 58.272 58.200 0.257 0.000 0.843 74 S CB 2.013 65.405 63.200 0.321 0.000 1.122 74 S HN 1.675 nan 8.310 nan 0.000 0.468 75 G N -0.263 108.598 108.800 0.102 0.000 2.684 75 G HA2 0.863 4.823 3.960 0.000 0.000 0.290 75 G HA3 0.863 4.823 3.960 0.000 0.000 0.290 75 G C -1.786 173.080 174.900 -0.056 0.000 1.425 75 G CA -0.186 44.850 45.100 -0.107 0.000 0.822 75 G HN 1.134 nan 8.290 nan 0.000 0.482 76 A N -0.762 121.929 122.820 -0.216 0.000 2.597 76 A HA 0.763 5.083 4.320 0.000 0.000 0.292 76 A C -1.756 175.650 177.584 -0.296 0.000 1.057 76 A CA -0.737 51.215 52.037 -0.141 0.000 0.674 76 A CB 0.776 19.808 19.000 0.053 0.000 1.278 76 A HN 0.750 nan 8.150 nan 0.000 0.416 77 F N 0.454 120.414 119.950 0.018 0.000 2.403 77 F HA 0.790 5.317 4.527 0.000 0.000 0.326 77 F C 1.237 177.049 175.800 0.020 0.000 1.081 77 F CA 1.046 59.062 58.000 0.026 0.000 1.041 77 F CB 2.207 41.232 39.000 0.042 0.000 1.234 77 F HN 1.049 nan 8.300 nan 0.000 0.503 78 G N 0.206 109.162 108.800 0.260 0.000 2.529 78 G HA2 0.473 4.433 3.960 0.000 0.000 0.238 78 G HA3 0.473 4.433 3.960 0.000 0.000 0.238 78 G C -2.118 172.953 174.900 0.286 0.000 1.207 78 G CA -0.488 44.715 45.100 0.172 0.000 0.928 78 G HN 0.703 nan 8.290 nan 0.000 0.495 79 Y N -1.769 118.630 120.300 0.165 0.000 2.609 79 Y HA 0.804 5.354 4.550 0.000 0.000 0.336 79 Y C -1.683 174.385 175.900 0.280 0.000 1.129 79 Y CA -2.072 56.152 58.100 0.207 0.000 1.040 79 Y CB 1.590 40.135 38.460 0.142 0.000 1.310 79 Y HN 0.714 nan 8.280 nan 0.000 0.460 80 F N 2.113 122.269 119.950 0.344 0.000 2.443 80 F HA 0.616 5.143 4.527 0.000 0.000 0.335 80 F C -0.589 175.405 175.800 0.322 0.000 1.104 80 F CA -0.563 57.600 58.000 0.272 0.000 1.013 80 F CB 1.537 40.670 39.000 0.222 0.000 1.136 80 F HN 0.767 nan 8.300 nan 0.000 0.470 81 E N 5.038 124.940 120.200 -0.496 0.000 2.210 81 E HA 0.459 4.809 4.350 0.000 0.000 0.266 81 E C -1.554 174.639 176.600 -0.678 0.000 0.883 81 E CA -0.930 55.281 56.400 -0.316 0.000 0.761 81 E CB 1.952 31.668 29.700 0.026 0.000 1.156 81 E HN 0.545 nan 8.360 nan 0.000 0.412 82 V N 3.944 123.666 119.914 -0.320 0.000 2.508 82 V HA 0.070 4.190 4.120 0.000 0.000 0.281 82 V C 1.210 177.262 176.094 -0.070 0.000 1.041 82 V CA 0.713 62.948 62.300 -0.109 0.000 1.016 82 V CB 0.996 32.902 31.823 0.138 0.000 0.984 82 V HN 0.957 nan 8.190 nan 0.000 0.478 83 T N -0.395 114.129 114.554 -0.051 0.000 2.959 83 T HA 0.282 4.632 4.350 0.000 0.000 0.254 83 T C 0.069 174.774 174.700 0.008 0.000 1.003 83 T CA -0.158 61.928 62.100 -0.022 0.000 0.950 83 T CB 0.230 69.077 68.868 -0.035 0.000 1.090 83 T HN 0.616 nan 8.240 nan 0.000 0.503 84 D N 0.972 121.386 120.400 0.023 0.000 2.645 84 D HA 0.483 5.123 4.640 0.000 0.000 0.228 84 D C -1.705 174.619 176.300 0.041 0.000 1.148 84 D CA -0.616 53.403 54.000 0.031 0.000 0.860 84 D CB 1.671 42.488 40.800 0.029 0.000 1.548 84 D HN 0.047 nan 8.370 nan 0.000 0.460 85 D N 0.780 121.202 120.400 0.036 0.000 2.371 85 D HA 0.237 4.877 4.640 0.000 0.000 0.256 85 D C 0.208 176.522 176.300 0.022 0.000 1.193 85 D CA -0.044 53.977 54.000 0.036 0.000 0.881 85 D CB 0.469 41.289 40.800 0.032 0.000 1.143 85 D HN 0.475 nan 8.370 nan 0.000 0.473 86 I N 0.488 121.064 120.570 0.009 0.000 3.813 86 I HA 0.191 4.361 4.170 0.000 0.000 0.323 86 I C 1.215 177.337 176.117 0.007 0.000 1.536 86 I CA -0.488 60.805 61.300 -0.012 0.000 1.083 86 I CB 0.282 38.236 38.000 -0.076 0.000 1.265 86 I HN 0.251 nan 8.210 nan 0.000 0.507 87 T N -1.992 112.578 114.554 0.027 0.000 3.051 87 T HA -0.151 4.199 4.350 0.000 0.000 0.269 87 T C 1.371 176.086 174.700 0.025 0.000 1.127 87 T CA 1.420 63.536 62.100 0.027 0.000 1.107 87 T CB -0.536 68.345 68.868 0.023 0.000 0.898 87 T HN 0.654 nan 8.240 nan 0.000 0.517 88 D N 0.920 121.342 120.400 0.036 0.000 2.277 88 D HA -0.047 4.593 4.640 0.000 0.000 0.208 88 D C 1.793 178.144 176.300 0.085 0.000 0.962 88 D CA 0.292 54.324 54.000 0.052 0.000 0.865 88 D CB -0.068 40.758 40.800 0.042 0.000 0.939 88 D HN 0.394 nan 8.370 nan 0.000 0.510 89 I N 0.267 120.886 120.570 0.080 0.000 2.729 89 I HA 0.081 4.251 4.170 0.000 0.000 0.256 89 I C 0.915 177.192 176.117 0.267 0.000 1.115 89 I CA 0.162 61.547 61.300 0.142 0.000 1.446 89 I CB -0.218 37.831 38.000 0.081 0.000 1.176 89 I HN 0.126 nan 8.210 nan 0.000 0.446 90 C N 1.080 120.496 119.300 0.194 0.000 2.481 90 C HA 0.690 5.151 4.460 0.000 0.000 0.324 90 C C 1.368 176.375 174.990 0.028 0.000 1.170 90 C CA -0.506 58.621 59.018 0.182 0.000 1.361 90 C CB 0.600 28.434 27.740 0.156 0.000 1.977 90 C HN 0.603 nan 8.230 nan 0.000 0.459 91 G N 3.397 112.066 108.800 -0.218 0.000 3.088 91 G HA2 0.142 4.102 3.960 0.000 0.000 0.212 91 G HA3 0.142 4.102 3.960 0.000 0.000 0.212 91 G C 0.559 175.204 174.900 -0.424 0.000 1.173 91 G CA 0.177 44.905 45.100 -0.620 0.000 0.779 91 G HN 0.751 nan 8.290 nan 0.000 0.540 92 S N 0.397 116.081 115.700 -0.026 0.000 2.549 92 S HA 0.327 4.797 4.470 0.000 0.000 0.286 92 S C 1.751 176.307 174.600 -0.074 0.000 1.314 92 S CA 0.078 58.291 58.200 0.022 0.000 1.062 92 S CB 1.535 64.640 63.200 -0.157 0.000 0.865 92 S HN 0.438 nan 8.310 nan 0.000 0.498 93 A N 3.946 126.724 122.820 -0.071 0.000 1.978 93 A HA -0.189 4.131 4.320 0.000 0.000 0.220 93 A C 2.049 179.550 177.584 -0.138 0.000 1.170 93 A CA 1.840 53.831 52.037 -0.076 0.000 0.636 93 A CB -0.822 18.145 19.000 -0.054 0.000 0.810 93 A HN 0.961 nan 8.150 nan 0.000 0.448 94 M N -3.226 116.182 119.600 -0.319 0.000 2.358 94 M HA 0.038 4.518 4.480 0.000 0.000 0.264 94 M C 0.857 177.003 176.300 -0.256 0.000 1.064 94 M CA 1.628 56.695 55.300 -0.388 0.000 1.093 94 M CB -0.459 31.704 32.600 -0.728 0.000 1.401 94 M HN 0.162 nan 8.290 nan 0.000 0.440 95 F N 1.123 121.044 119.950 -0.048 0.000 2.695 95 F HA 0.244 4.771 4.527 0.000 0.000 0.303 95 F C 2.544 178.352 175.800 0.012 0.000 1.091 95 F CA 0.085 58.096 58.000 0.018 0.000 1.300 95 F CB -0.687 38.301 39.000 -0.019 0.000 1.071 95 F HN 0.343 nan 8.300 nan 0.000 0.578 96 S N -0.381 115.395 115.700 0.127 0.000 2.419 96 S HA -0.083 4.387 4.470 0.000 0.000 0.233 96 S C 0.567 175.207 174.600 0.067 0.000 1.016 96 S CA 0.692 58.937 58.200 0.074 0.000 0.974 96 S CB -0.312 62.903 63.200 0.026 0.000 0.786 96 S HN 0.184 nan 8.310 nan 0.000 0.492 97 K N 0.129 120.572 120.400 0.073 0.000 2.469 97 K HA 0.579 4.900 4.320 0.000 0.000 0.254 97 K C -1.090 175.548 176.600 0.063 0.000 0.939 97 K CA -0.504 55.815 56.287 0.054 0.000 0.812 97 K CB 1.836 34.356 32.500 0.034 0.000 1.301 97 K HN 0.076 nan 8.250 nan 0.000 0.433 98 I N 2.138 122.737 120.570 0.047 0.000 2.471 98 I HA 0.170 4.340 4.170 0.000 0.000 0.286 98 I C 1.103 177.234 176.117 0.023 0.000 1.079 98 I CA 0.951 62.274 61.300 0.038 0.000 1.398 98 I CB 0.560 38.578 38.000 0.030 0.000 1.403 98 I HN 0.993 nan 8.210 nan 0.000 0.530 99 G N 4.872 113.680 108.800 0.013 0.000 2.195 99 G HA2 -0.268 3.692 3.960 0.000 0.000 0.224 99 G HA3 -0.268 3.692 3.960 0.000 0.000 0.224 99 G C 0.399 175.299 174.900 -0.000 0.000 0.990 99 G CA -0.260 44.840 45.100 0.001 0.000 0.639 99 G HN 0.613 nan 8.290 nan 0.000 0.514 100 K N 1.357 121.770 120.400 0.021 0.000 2.412 100 K HA 0.415 4.735 4.320 0.000 0.000 0.284 100 K C 0.552 177.181 176.600 0.049 0.000 1.046 100 K CA -0.208 56.098 56.287 0.032 0.000 0.999 100 K CB 0.193 32.723 32.500 0.050 0.000 0.941 100 K HN 0.356 nan 8.250 nan 0.000 0.474 101 R N 2.438 122.961 120.500 0.038 0.000 2.474 101 R HA 0.305 4.645 4.340 0.000 0.000 0.295 101 R C -0.742 175.637 176.300 0.131 0.000 0.980 101 R CA -0.628 55.523 56.100 0.086 0.000 0.934 101 R CB 2.022 32.302 30.300 -0.033 0.000 1.101 101 R HN 0.524 nan 8.270 nan 0.000 0.469 102 T N 2.370 117.069 114.554 0.243 0.000 2.879 102 T HA 0.195 4.545 4.350 0.000 0.000 0.290 102 T C -0.596 174.307 174.700 0.340 0.000 0.993 102 T CA -0.742 61.494 62.100 0.226 0.000 0.975 102 T CB 1.632 70.594 68.868 0.157 0.000 0.981 102 T HN 0.362 nan 8.240 nan 0.000 0.439 103 K N 1.961 122.559 120.400 0.331 0.000 2.355 103 K HA 0.452 4.772 4.320 0.000 0.000 0.270 103 K C -0.016 176.860 176.600 0.460 0.000 1.003 103 K CA -0.412 56.127 56.287 0.419 0.000 0.957 103 K CB 0.178 32.938 32.500 0.434 0.000 0.939 103 K HN 0.866 nan 8.250 nan 0.000 0.482 104 C N 2.527 122.045 119.300 0.362 0.000 3.236 104 C HA 0.805 5.265 4.460 0.000 0.000 0.312 104 C C -1.352 173.727 174.990 0.147 0.000 1.374 104 C CA -1.375 57.689 59.018 0.077 0.000 1.455 104 C CB 0.595 28.191 27.740 -0.240 0.000 1.834 104 C HN 0.804 nan 8.230 nan 0.000 0.460 105 L N 1.291 122.447 121.223 -0.112 0.000 2.410 105 L HA 0.784 5.124 4.340 0.000 0.000 0.270 105 L C -0.361 176.325 176.870 -0.306 0.000 0.983 105 L CA 0.204 54.913 54.840 -0.219 0.000 0.822 105 L CB 2.125 44.065 42.059 -0.199 0.000 1.285 105 L HN 0.998 nan 8.230 nan 0.000 0.409 106 T N 4.672 118.967 114.554 -0.432 0.000 2.829 106 T HA 0.559 4.909 4.350 0.000 0.000 0.280 106 T C -0.699 173.567 174.700 -0.723 0.000 0.999 106 T CA -0.458 61.252 62.100 -0.649 0.000 0.983 106 T CB 1.383 69.733 68.868 -0.862 0.000 0.968 106 T HN 0.590 nan 8.240 nan 0.000 0.446 107 R N 2.286 122.286 120.500 -0.834 0.000 2.393 107 R HA 0.561 4.901 4.340 0.000 0.000 0.315 107 R C -1.352 174.470 176.300 -0.796 0.000 0.952 107 R CA -0.585 55.113 56.100 -0.670 0.000 0.842 107 R CB 0.640 30.682 30.300 -0.430 0.000 1.163 107 R HN 0.431 nan 8.270 nan 0.000 0.450 108 F N 1.639 121.258 119.950 -0.551 0.000 2.399 108 F HA 0.518 5.045 4.527 0.000 0.000 0.328 108 F C 0.541 176.045 175.800 -0.493 0.000 1.084 108 F CA -0.094 57.468 58.000 -0.729 0.000 1.053 108 F CB 2.030 40.130 39.000 -1.499 0.000 1.209 108 F HN 0.573 nan 8.300 nan 0.000 0.502 109 S N -1.117 114.585 115.700 0.004 0.000 2.611 109 S HA 0.664 5.134 4.470 0.000 0.000 0.268 109 S C -0.646 174.151 174.600 0.328 0.000 1.156 109 S CA -0.842 57.480 58.200 0.203 0.000 0.817 109 S CB 1.277 64.626 63.200 0.248 0.000 1.122 109 S HN 0.721 nan 8.310 nan 0.000 0.466 110 T N -1.483 113.246 114.554 0.292 0.000 2.888 110 T HA 0.730 5.080 4.350 0.000 0.000 0.283 110 T C 0.813 175.482 174.700 -0.051 0.000 1.013 110 T CA -0.165 62.049 62.100 0.189 0.000 0.938 110 T CB 0.533 69.530 68.868 0.215 0.000 1.298 110 T HN 0.642 nan 8.240 nan 0.000 0.580 111 V N -0.274 119.562 119.914 -0.130 0.000 2.840 111 V HA 0.326 4.447 4.120 0.000 0.000 0.234 111 V C 2.650 178.663 176.094 -0.136 0.000 1.159 111 V CA 0.970 63.069 62.300 -0.336 0.000 1.194 111 V CB -0.833 30.878 31.823 -0.188 0.000 0.971 111 V HN 1.031 nan 8.190 nan 0.000 0.494 112 G N 0.159 108.907 108.800 -0.087 0.000 2.494 112 G HA2 0.174 4.134 3.960 0.000 0.000 0.216 112 G HA3 0.174 4.134 3.960 0.000 0.000 0.216 112 G C 0.851 175.723 174.900 -0.046 0.000 1.140 112 G CA 0.698 45.739 45.100 -0.098 0.000 0.801 112 G HN 0.595 nan 8.290 nan 0.000 0.536 113 G N 0.188 108.984 108.800 -0.007 0.000 2.527 113 G HA2 0.408 4.368 3.960 0.000 0.000 0.248 113 G HA3 0.408 4.368 3.960 0.000 0.000 0.248 113 G C -0.473 174.447 174.900 0.034 0.000 1.231 113 G CA -0.402 44.700 45.100 0.003 0.000 0.838 113 G HN 0.102 nan 8.290 nan 0.000 0.570 114 D N -0.091 120.320 120.400 0.018 0.000 2.393 114 D HA 0.059 4.700 4.640 0.000 0.000 0.246 114 D C 1.400 177.751 176.300 0.084 0.000 1.275 114 D CA -0.340 53.688 54.000 0.046 0.000 0.979 114 D CB 1.025 41.839 40.800 0.023 0.000 1.101 114 D HN 0.413 nan 8.370 nan 0.000 0.505 115 K N 0.002 120.473 120.400 0.120 0.000 2.152 115 K HA -0.105 4.216 4.320 0.000 0.000 0.206 115 K C 1.680 178.381 176.600 0.169 0.000 1.048 115 K CA 1.291 57.698 56.287 0.201 0.000 0.933 115 K CB -0.289 32.314 32.500 0.172 0.000 0.721 115 K HN 0.483 nan 8.250 nan 0.000 0.447 116 G N 0.404 109.230 108.800 0.044 0.000 2.985 116 G HA2 -0.061 3.900 3.960 0.000 0.000 0.209 116 G HA3 -0.061 3.900 3.960 0.000 0.000 0.209 116 G C 0.277 175.084 174.900 -0.155 0.000 1.165 116 G CA 0.203 45.293 45.100 -0.016 0.000 0.776 116 G HN 0.378 nan 8.290 nan 0.000 0.541 117 S N 0.051 115.602 115.700 -0.248 0.000 2.589 117 S HA 0.601 5.071 4.470 0.000 0.000 0.265 117 S C 0.573 174.889 174.600 -0.473 0.000 1.342 117 S CA -0.109 57.923 58.200 -0.280 0.000 1.005 117 S CB 1.402 64.495 63.200 -0.177 0.000 0.909 117 S HN 0.613 nan 8.310 nan 0.000 0.555 118 A N 0.790 123.476 122.820 -0.223 0.000 2.386 118 A HA 0.321 4.641 4.320 0.000 0.000 0.248 118 A C 0.843 178.407 177.584 -0.034 0.000 1.082 118 A CA -0.470 51.495 52.037 -0.122 0.000 0.789 118 A CB -0.164 18.807 19.000 -0.048 0.000 1.025 118 A HN 0.895 nan 8.150 nan 0.000 0.490 119 D N 0.308 120.762 120.400 0.090 0.000 2.149 119 D HA -0.055 4.585 4.640 0.000 0.000 0.201 119 D C 1.279 177.631 176.300 0.087 0.000 0.972 119 D CA 2.167 56.269 54.000 0.171 0.000 0.835 119 D CB -0.141 40.766 40.800 0.178 0.000 0.966 119 D HN 0.670 nan 8.370 nan 0.000 0.476 120 T N -0.261 114.318 114.554 0.042 0.000 3.540 120 T HA 0.430 4.780 4.350 0.000 0.000 0.269 120 T C 0.345 175.047 174.700 0.003 0.000 1.481 120 T CA -0.694 61.408 62.100 0.004 0.000 1.224 120 T CB -0.485 68.347 68.868 -0.060 0.000 1.192 120 T HN -0.092 nan 8.240 nan 0.000 0.756 121 V N -0.736 119.193 119.914 0.025 0.000 3.096 121 V HA 0.689 4.809 4.120 0.000 0.000 0.319 121 V C 0.242 176.350 176.094 0.025 0.000 1.103 121 V CA -1.898 60.414 62.300 0.020 0.000 1.016 121 V CB 1.549 33.383 31.823 0.019 0.000 1.090 121 V HN 0.637 nan 8.190 nan 0.000 0.449 122 R N 1.163 121.667 120.500 0.007 0.000 2.298 122 R HA 0.569 4.909 4.340 0.000 0.000 0.310 122 R C -1.185 175.113 176.300 -0.004 0.000 1.068 122 R CA 0.114 56.200 56.100 -0.024 0.000 0.957 122 R CB 0.302 30.538 30.300 -0.106 0.000 1.003 122 R HN 1.008 nan 8.270 nan 0.000 0.454 123 D N 3.383 123.803 120.400 0.033 0.000 2.742 123 D HA 0.251 4.891 4.640 0.000 0.000 0.262 123 D C -2.863 173.524 176.300 0.144 0.000 1.240 123 D CA -1.231 52.822 54.000 0.089 0.000 0.752 123 D CB 1.942 42.797 40.800 0.091 0.000 1.290 123 D HN 0.284 nan 8.370 nan 0.000 0.420 124 P HA 0.276 nan 4.420 nan 0.000 0.270 124 P C -0.551 176.908 177.300 0.264 0.000 1.223 124 P CA -0.337 62.920 63.100 0.263 0.000 0.785 124 P CB 0.547 32.471 31.700 0.374 0.000 0.923 125 R N 1.046 121.737 120.500 0.317 0.000 2.514 125 R HA 0.579 4.919 4.340 0.000 0.000 0.301 125 R C 0.486 177.036 176.300 0.417 0.000 0.962 125 R CA -0.667 55.654 56.100 0.369 0.000 0.882 125 R CB 1.350 31.902 30.300 0.420 0.000 1.143 125 R HN 0.610 nan 8.270 nan 0.000 0.452 126 G N 0.926 109.988 108.800 0.438 0.000 2.476 126 G HA2 0.414 4.375 3.960 0.000 0.000 0.269 126 G HA3 0.414 4.375 3.960 0.000 0.000 0.269 126 G C -1.126 173.927 174.900 0.254 0.000 1.195 126 G CA -0.032 45.284 45.100 0.360 0.000 0.843 126 G HN 0.391 nan 8.290 nan 0.000 0.545 127 F N 1.621 121.552 119.950 -0.033 0.000 3.167 127 F HA 0.584 5.111 4.527 0.000 0.000 0.389 127 F C -0.042 175.534 175.800 -0.374 0.000 1.233 127 F CA -1.699 56.191 58.000 -0.184 0.000 1.238 127 F CB 0.717 39.738 39.000 0.035 0.000 1.971 127 F HN 0.654 nan 8.300 nan 0.000 0.651 128 A N 2.755 125.341 122.820 -0.391 0.000 2.276 128 A HA 0.778 5.098 4.320 0.000 0.000 0.316 128 A C -0.339 176.770 177.584 -0.792 0.000 1.229 128 A CA -0.262 51.356 52.037 -0.699 0.000 0.851 128 A CB 0.563 18.800 19.000 -1.270 0.000 1.165 128 A HN 0.473 nan 8.150 nan 0.000 0.513 129 T N 2.328 116.558 114.554 -0.540 0.000 2.848 129 T HA 0.439 4.789 4.350 0.000 0.000 0.285 129 T C -0.426 173.921 174.700 -0.588 0.000 0.995 129 T CA -0.561 61.183 62.100 -0.594 0.000 0.970 129 T CB 1.328 69.754 68.868 -0.736 0.000 0.976 129 T HN 0.653 nan 8.240 nan 0.000 0.441 130 K N 2.957 123.055 120.400 -0.502 0.000 2.235 130 K HA 0.561 4.882 4.320 0.000 0.000 0.266 130 K C -1.470 174.578 176.600 -0.920 0.000 0.980 130 K CA -0.631 55.309 56.287 -0.579 0.000 0.849 130 K CB 0.577 32.765 32.500 -0.519 0.000 1.098 130 K HN 0.405 nan 8.250 nan 0.000 0.445 131 F N 3.662 123.258 119.950 -0.590 0.000 2.444 131 F HA 0.298 4.825 4.527 0.000 0.000 0.342 131 F C -0.571 174.896 175.800 -0.555 0.000 1.121 131 F CA -0.750 56.929 58.000 -0.535 0.000 0.997 131 F CB 1.010 39.662 39.000 -0.579 0.000 1.130 131 F HN 0.416 nan 8.300 nan 0.000 0.454 132 Y N 1.557 121.825 120.300 -0.053 0.000 2.714 132 Y HA 0.269 4.819 4.550 0.000 0.000 0.333 132 Y C 0.934 176.677 175.900 -0.261 0.000 1.220 132 Y CA -0.907 57.053 58.100 -0.232 0.000 1.513 132 Y CB -0.135 38.074 38.460 -0.419 0.000 1.435 132 Y HN 0.567 nan 8.280 nan 0.000 0.489 133 T N -2.666 111.815 114.554 -0.122 0.000 2.881 133 T HA 0.211 4.561 4.350 0.000 0.000 0.278 133 T C 0.956 175.577 174.700 -0.131 0.000 0.982 133 T CA -0.719 61.294 62.100 -0.146 0.000 0.989 133 T CB 1.096 69.834 68.868 -0.217 0.000 1.058 133 T HN 0.596 nan 8.240 nan 0.000 0.529 134 E N -0.087 120.048 120.200 -0.108 0.000 2.478 134 E HA -0.023 4.327 4.350 0.000 0.000 0.198 134 E C 0.885 177.450 176.600 -0.058 0.000 1.046 134 E CA 0.666 57.021 56.400 -0.075 0.000 0.870 134 E CB 0.037 29.705 29.700 -0.053 0.000 0.818 134 E HN 0.736 nan 8.360 nan 0.000 0.527 135 E N 0.371 120.528 120.200 -0.071 0.000 2.585 135 E HA 0.267 4.617 4.350 0.000 0.000 0.206 135 E C 0.175 176.743 176.600 -0.054 0.000 1.007 135 E CA -0.182 56.187 56.400 -0.051 0.000 1.028 135 E CB 0.991 30.662 29.700 -0.049 0.000 1.087 135 E HN 0.231 nan 8.360 nan 0.000 0.455 136 G N 1.333 110.100 108.800 -0.055 0.000 2.655 136 G HA2 -0.207 3.753 3.960 0.000 0.000 0.680 136 G HA3 -0.207 3.753 3.960 0.000 0.000 0.680 136 G C -0.716 174.134 174.900 -0.082 0.000 1.302 136 G CA -1.067 44.007 45.100 -0.044 0.000 0.872 136 G HN 0.151 nan 8.290 nan 0.000 0.540 137 N N -0.371 118.283 118.700 -0.076 0.000 2.503 137 N HA 0.567 5.307 4.740 0.000 0.000 0.267 137 N C -0.052 175.380 175.510 -0.130 0.000 1.214 137 N CA -0.283 52.684 53.050 -0.139 0.000 0.959 137 N CB 1.324 39.721 38.487 -0.150 0.000 1.142 137 N HN 0.650 nan 8.380 nan 0.000 0.455 138 L N 1.393 122.521 121.223 -0.159 0.000 2.381 138 L HA 0.396 4.736 4.340 0.000 0.000 0.274 138 L C -1.390 175.427 176.870 -0.088 0.000 0.988 138 L CA -0.640 54.130 54.840 -0.118 0.000 0.824 138 L CB 1.498 43.419 42.059 -0.230 0.000 1.263 138 L HN 0.367 nan 8.230 nan 0.000 0.410 139 D N 4.529 124.919 120.400 -0.017 0.000 2.344 139 D HA 0.262 4.902 4.640 0.000 0.000 0.239 139 D C -1.006 175.377 176.300 0.138 0.000 1.064 139 D CA 0.044 54.051 54.000 0.012 0.000 0.829 139 D CB 1.371 42.212 40.800 0.068 0.000 1.129 139 D HN 0.310 nan 8.370 nan 0.000 0.506 140 W N 2.695 123.858 121.300 -0.229 0.000 2.289 140 W HA 0.262 4.922 4.660 0.000 0.000 0.342 140 W C -0.331 175.812 176.519 -0.626 0.000 0.958 140 W CA -0.887 56.122 57.345 -0.561 0.000 1.492 140 W CB 0.467 29.390 29.460 -0.896 0.000 1.336 140 W HN 0.021 nan 8.180 nan 0.000 0.371 141 V N 6.338 126.224 119.914 -0.046 0.000 2.267 141 V HA 0.095 4.215 4.120 0.000 0.000 0.254 141 V C -0.192 176.033 176.094 0.219 0.000 1.144 141 V CA -0.425 61.851 62.300 -0.040 0.000 0.992 141 V CB -0.990 30.761 31.823 -0.120 0.000 1.199 141 V HN 0.103 nan 8.190 nan 0.000 0.493 142 Y N 1.749 122.016 120.300 -0.054 0.000 2.567 142 Y HA 0.591 5.141 4.550 0.000 0.000 0.333 142 Y C 0.562 176.485 175.900 0.037 0.000 1.106 142 Y CA -2.121 55.955 58.100 -0.041 0.000 1.157 142 Y CB 1.393 39.778 38.460 -0.126 0.000 1.277 142 Y HN 0.395 nan 8.280 nan 0.000 0.490 143 N N 0.010 118.853 118.700 0.238 0.000 2.525 143 N HA 0.151 4.891 4.740 0.000 0.000 0.288 143 N C 0.164 175.893 175.510 0.364 0.000 1.242 143 N CA -0.595 52.631 53.050 0.294 0.000 0.905 143 N CB 0.688 39.328 38.487 0.255 0.000 1.258 143 N HN 0.730 nan 8.380 nan 0.000 0.551 144 N N -1.934 117.013 118.700 0.412 0.000 2.322 144 N HA -0.010 4.730 4.740 0.000 0.000 0.216 144 N C -0.407 175.391 175.510 0.479 0.000 1.144 144 N CA -0.158 53.184 53.050 0.487 0.000 0.830 144 N CB 0.413 39.172 38.487 0.453 0.000 1.034 144 N HN 0.233 nan 8.380 nan 0.000 0.484 145 T N -0.286 114.443 114.554 0.292 0.000 2.876 145 T HA 0.356 4.706 4.350 0.000 0.000 0.289 145 T C -2.153 172.283 174.700 -0.440 0.000 1.014 145 T CA -2.177 59.887 62.100 -0.060 0.000 0.986 145 T CB 1.770 70.609 68.868 -0.050 0.000 1.021 145 T HN -0.190 nan 8.240 nan 0.000 0.458 146 P HA 0.044 nan 4.420 nan 0.000 0.220 146 P C 0.458 177.427 177.300 -0.551 0.000 1.148 146 P CA 0.648 63.178 63.100 -0.950 0.000 0.803 146 P CB -0.044 31.131 31.700 -0.874 0.000 0.782 147 V N -6.157 113.464 119.914 -0.489 0.000 3.184 147 V HA 0.709 4.829 4.120 0.000 0.000 0.308 147 V C -0.611 175.352 176.094 -0.219 0.000 1.243 147 V CA -1.077 60.981 62.300 -0.403 0.000 1.058 147 V CB 1.633 33.113 31.823 -0.571 0.000 1.183 147 V HN -0.155 nan 8.190 nan 0.000 0.471 148 F N -1.567 118.141 119.950 -0.404 0.000 2.715 148 F HA 0.671 5.198 4.527 0.000 0.000 0.318 148 F C 0.334 175.902 175.800 -0.387 0.000 1.141 148 F CA -1.495 56.292 58.000 -0.355 0.000 0.950 148 F CB 1.665 40.579 39.000 -0.143 0.000 1.374 148 F HN 0.418 nan 8.300 nan 0.000 0.477 149 F N 2.094 121.459 119.950 -0.974 0.000 2.365 149 F HA 0.094 4.621 4.527 0.000 0.000 0.300 149 F C 0.759 176.242 175.800 -0.527 0.000 1.090 149 F CA 0.998 58.482 58.000 -0.861 0.000 1.408 149 F CB -0.351 37.735 39.000 -1.524 0.000 1.060 149 F HN 0.164 nan 8.300 nan 0.000 0.534 150 I N -1.958 118.545 120.570 -0.111 0.000 2.934 150 I HA 0.514 4.684 4.170 0.000 0.000 0.306 150 I C 0.478 176.644 176.117 0.081 0.000 1.110 150 I CA -1.097 60.215 61.300 0.021 0.000 1.019 150 I CB 2.450 40.530 38.000 0.134 0.000 1.227 150 I HN -0.022 nan 8.210 nan 0.000 0.434 151 R N 0.301 120.826 120.500 0.042 0.000 2.549 151 R HA 0.429 4.769 4.340 0.000 0.000 0.344 151 R C -1.075 175.377 176.300 0.254 0.000 0.979 151 R CA -0.420 55.721 56.100 0.069 0.000 1.140 151 R CB 0.349 30.481 30.300 -0.280 0.000 1.377 151 R HN 0.575 nan 8.270 nan 0.000 0.541 152 D N 2.840 123.372 120.400 0.220 0.000 2.408 152 D HA 0.179 4.819 4.640 0.000 0.000 0.243 152 D C -1.829 174.590 176.300 0.199 0.000 1.075 152 D CA -1.757 52.382 54.000 0.231 0.000 0.832 152 D CB 2.590 43.496 40.800 0.178 0.000 1.162 152 D HN -0.080 nan 8.370 nan 0.000 0.515 153 P HA -0.159 nan 4.420 nan 0.000 0.218 153 P C 1.258 178.672 177.300 0.190 0.000 1.149 153 P CA 0.915 64.114 63.100 0.165 0.000 0.817 153 P CB 0.323 32.085 31.700 0.103 0.000 0.785 154 S N -0.339 115.443 115.700 0.137 0.000 2.447 154 S HA -0.076 4.394 4.470 0.000 0.000 0.233 154 S C 1.981 176.676 174.600 0.158 0.000 1.006 154 S CA 0.906 59.180 58.200 0.123 0.000 0.957 154 S CB -0.710 62.512 63.200 0.037 0.000 0.773 154 S HN 0.013 nan 8.310 nan 0.000 0.507 155 K N 0.609 121.102 120.400 0.155 0.000 2.365 155 K HA 0.253 4.573 4.320 0.000 0.000 0.199 155 K C 1.357 178.125 176.600 0.281 0.000 1.045 155 K CA 0.360 56.761 56.287 0.191 0.000 0.962 155 K CB -0.562 32.080 32.500 0.237 0.000 0.759 155 K HN 0.419 nan 8.250 nan 0.000 0.469 156 F N 1.568 121.614 119.950 0.160 0.000 2.075 156 F HA -0.074 4.453 4.527 0.000 0.000 0.297 156 F C -1.179 174.632 175.800 0.018 0.000 1.113 156 F CA 0.895 58.987 58.000 0.153 0.000 1.218 156 F CB -0.917 38.181 39.000 0.163 0.000 0.984 156 F HN 0.055 nan 8.300 nan 0.000 0.472 157 P HA -0.193 nan 4.420 nan 0.000 0.216 157 P C 1.479 178.279 177.300 -0.833 0.000 1.153 157 P CA 1.994 64.803 63.100 -0.485 0.000 0.858 157 P CB -0.302 31.240 31.700 -0.265 0.000 0.789 158 H N -2.373 116.432 119.070 -0.441 0.000 2.321 158 H HA -0.125 4.431 4.556 0.000 0.000 0.300 158 H C 2.022 176.934 175.328 -0.692 0.000 1.087 158 H CA 1.354 57.181 56.048 -0.367 0.000 1.319 158 H CB -0.821 28.895 29.762 -0.076 0.000 1.379 158 H HN 0.140 nan 8.280 nan 0.000 0.501 159 F N 1.865 121.275 119.950 -0.900 0.000 2.113 159 F HA -0.168 4.359 4.527 0.000 0.000 0.297 159 F C 2.292 177.569 175.800 -0.873 0.000 1.103 159 F CA 0.864 58.108 58.000 -1.260 0.000 1.248 159 F CB -0.445 37.969 39.000 -0.976 0.000 0.999 159 F HN -0.052 nan 8.300 nan 0.000 0.475 160 I N 0.323 120.221 120.570 -1.119 0.000 2.394 160 I HA -0.279 3.891 4.170 0.000 0.000 0.251 160 I C 2.391 178.132 176.117 -0.628 0.000 1.136 160 I CA 1.511 62.218 61.300 -0.989 0.000 1.425 160 I CB -1.748 35.740 38.000 -0.853 0.000 1.079 160 I HN 0.345 nan 8.210 nan 0.000 0.425 161 H N 0.451 119.199 119.070 -0.536 0.000 2.353 161 H HA -0.142 4.414 4.556 0.000 0.000 0.300 161 H C 2.246 177.354 175.328 -0.368 0.000 1.090 161 H CA 1.860 57.684 56.048 -0.374 0.000 1.327 161 H CB 0.095 29.678 29.762 -0.299 0.000 1.383 161 H HN 0.420 nan 8.280 nan 0.000 0.508 162 T N -1.164 113.171 114.554 -0.365 0.000 2.995 162 T HA -0.086 4.264 4.350 0.000 0.000 0.269 162 T C 1.771 176.248 174.700 -0.371 0.000 1.091 162 T CA 0.517 62.425 62.100 -0.321 0.000 1.128 162 T CB 0.124 68.789 68.868 -0.339 0.000 0.891 162 T HN 0.218 nan 8.240 nan 0.000 0.492 163 Q N 0.775 120.206 119.800 -0.615 0.000 2.378 163 Q HA 0.228 4.568 4.340 0.000 0.000 0.205 163 Q C 1.317 177.176 176.000 -0.235 0.000 0.954 163 Q CA 0.776 56.275 55.803 -0.506 0.000 0.901 163 Q CB 0.140 28.391 28.738 -0.810 0.000 0.981 163 Q HN 0.639 nan 8.270 nan 0.000 0.483 164 K N 0.100 120.371 120.400 -0.216 0.000 3.861 164 K HA 0.320 4.640 4.320 0.000 0.000 0.225 164 K C 0.310 176.861 176.600 -0.081 0.000 1.097 164 K CA -0.499 55.711 56.287 -0.127 0.000 1.792 164 K CB 0.489 32.914 32.500 -0.125 0.000 2.642 164 K HN -0.135 nan 8.250 nan 0.000 0.702 165 R N 1.354 121.808 120.500 -0.076 0.000 2.720 165 R HA 0.202 4.542 4.340 0.000 0.000 0.272 165 R C -0.280 175.980 176.300 -0.066 0.000 0.991 165 R CA -0.834 55.230 56.100 -0.059 0.000 1.010 165 R CB 0.867 31.135 30.300 -0.052 0.000 1.141 165 R HN 0.434 nan 8.270 nan 0.000 0.494 166 N N 3.072 121.742 118.700 -0.049 0.000 2.483 166 N HA -0.002 4.738 4.740 0.000 0.000 0.264 166 N C -1.550 173.924 175.510 -0.060 0.000 1.197 166 N CA -1.144 51.878 53.050 -0.047 0.000 0.927 166 N CB 1.021 39.492 38.487 -0.028 0.000 1.065 166 N HN 0.359 nan 8.380 nan 0.000 0.461 167 P HA -0.190 nan 4.420 nan 0.000 0.219 167 P C 0.895 178.160 177.300 -0.058 0.000 1.146 167 P CA 1.444 64.494 63.100 -0.083 0.000 0.808 167 P CB 0.454 32.096 31.700 -0.097 0.000 0.779 168 Q N -0.090 119.684 119.800 -0.043 0.000 2.263 168 Q HA -0.040 4.300 4.340 0.000 0.000 0.196 168 Q C 2.204 178.187 176.000 -0.028 0.000 0.965 168 Q CA 1.662 57.445 55.803 -0.032 0.000 0.851 168 Q CB -0.266 28.457 28.738 -0.024 0.000 0.948 168 Q HN 0.207 nan 8.270 nan 0.000 0.516 169 T N -1.701 112.838 114.554 -0.026 0.000 3.055 169 T HA -0.043 4.307 4.350 0.000 0.000 0.265 169 T C 0.895 175.580 174.700 -0.025 0.000 1.111 169 T CA 0.859 62.946 62.100 -0.022 0.000 1.118 169 T CB -0.274 68.583 68.868 -0.019 0.000 0.909 169 T HN 0.604 nan 8.240 nan 0.000 0.501 170 N N 0.228 118.910 118.700 -0.031 0.000 2.741 170 N HA -0.141 4.599 4.740 0.000 0.000 0.251 170 N C -0.808 174.684 175.510 -0.031 0.000 1.112 170 N CA 0.253 53.283 53.050 -0.033 0.000 0.750 170 N CB -1.240 37.230 38.487 -0.028 0.000 1.119 170 N HN 0.537 nan 8.380 nan 0.000 0.561 171 L N 1.041 122.247 121.223 -0.029 0.000 2.344 171 L HA 0.455 4.795 4.340 0.000 0.000 0.272 171 L C 0.872 177.724 176.870 -0.029 0.000 1.035 171 L CA -0.784 54.039 54.840 -0.028 0.000 0.807 171 L CB 1.203 43.246 42.059 -0.026 0.000 1.237 171 L HN -0.010 nan 8.230 nan 0.000 0.442 172 R N 1.125 121.607 120.500 -0.031 0.000 2.347 172 R HA 0.147 4.487 4.340 0.000 0.000 0.304 172 R C -0.931 175.353 176.300 -0.026 0.000 1.072 172 R CA -0.426 55.659 56.100 -0.025 0.000 0.980 172 R CB 0.538 30.822 30.300 -0.027 0.000 0.986 172 R HN 0.421 nan 8.270 nan 0.000 0.448 173 D N 1.888 122.289 120.400 0.002 0.000 2.381 173 D HA 0.225 4.865 4.640 0.000 0.000 0.235 173 D C 0.511 176.852 176.300 0.069 0.000 1.068 173 D CA -0.424 53.587 54.000 0.018 0.000 0.832 173 D CB 1.809 42.624 40.800 0.024 0.000 1.101 173 D HN 0.539 nan 8.370 nan 0.000 0.515 174 A N 3.890 126.729 122.820 0.032 0.000 2.015 174 A HA -0.132 4.188 4.320 0.000 0.000 0.219 174 A C 1.547 179.302 177.584 0.285 0.000 1.163 174 A CA 1.081 53.188 52.037 0.115 0.000 0.646 174 A CB -0.036 18.980 19.000 0.027 0.000 0.806 174 A HN 0.548 nan 8.150 nan 0.000 0.448 175 D N -0.026 120.485 120.400 0.185 0.000 2.117 175 D HA -0.136 4.504 4.640 0.000 0.000 0.198 175 D C 2.046 178.472 176.300 0.210 0.000 0.982 175 D CA 1.425 55.539 54.000 0.190 0.000 0.828 175 D CB -0.389 40.477 40.800 0.110 0.000 0.967 175 D HN 0.506 nan 8.370 nan 0.000 0.464 176 M N -0.392 119.308 119.600 0.166 0.000 2.086 176 M HA -0.114 4.366 4.480 0.000 0.000 0.261 176 M C 2.164 178.576 176.300 0.187 0.000 1.067 176 M CA 1.022 56.408 55.300 0.143 0.000 1.116 176 M CB -0.424 32.217 32.600 0.068 0.000 1.348 176 M HN -0.058 nan 8.290 nan 0.000 0.407 177 F N 0.109 120.061 119.950 0.004 0.000 2.043 177 F HA -0.250 4.278 4.527 0.000 0.000 0.297 177 F C 1.774 177.523 175.800 -0.085 0.000 1.121 177 F CA 1.837 59.766 58.000 -0.117 0.000 1.199 177 F CB -0.581 38.322 39.000 -0.162 0.000 0.968 177 F HN 0.077 nan 8.300 nan 0.000 0.478 178 W N 0.078 121.705 121.300 0.545 0.000 2.584 178 W HA -0.050 4.610 4.660 0.000 0.000 0.264 178 W C 2.246 178.889 176.519 0.206 0.000 1.264 178 W CA 0.665 58.233 57.345 0.373 0.000 1.306 178 W CB -0.411 29.221 29.460 0.287 0.000 1.110 178 W HN 0.054 nan 8.180 nan 0.000 0.606 179 D N -0.054 120.566 120.400 0.366 0.000 2.117 179 D HA -0.237 4.403 4.640 0.000 0.000 0.198 179 D C 1.807 178.226 176.300 0.198 0.000 0.982 179 D CA 1.179 55.320 54.000 0.235 0.000 0.828 179 D CB -0.366 40.545 40.800 0.185 0.000 0.967 179 D HN 0.097 nan 8.370 nan 0.000 0.464 180 F N 0.644 120.645 119.950 0.086 0.000 2.113 180 F HA -0.034 4.493 4.527 0.000 0.000 0.297 180 F C 2.026 177.858 175.800 0.054 0.000 1.103 180 F CA 1.201 59.231 58.000 0.049 0.000 1.248 180 F CB -0.230 38.774 39.000 0.008 0.000 0.999 180 F HN -0.047 nan 8.300 nan 0.000 0.475 181 L N -0.172 121.156 121.223 0.174 0.000 2.141 181 L HA -0.173 4.167 4.340 0.000 0.000 0.209 181 L C 2.360 179.270 176.870 0.066 0.000 1.094 181 L CA 1.729 56.633 54.840 0.106 0.000 0.763 181 L CB -1.155 41.023 42.059 0.199 0.000 0.908 181 L HN 0.332 nan 8.230 nan 0.000 0.437 182 T N -5.073 109.563 114.554 0.137 0.000 3.100 182 T HA 0.007 4.357 4.350 0.000 0.000 0.253 182 T C 0.903 175.603 174.700 -0.000 0.000 1.118 182 T CA -0.099 62.053 62.100 0.086 0.000 1.058 182 T CB -0.533 68.411 68.868 0.126 0.000 0.953 182 T HN 0.045 nan 8.240 nan 0.000 0.515 183 T N 4.332 118.844 114.554 -0.071 0.000 2.867 183 T HA 0.140 4.491 4.350 0.000 0.000 0.297 183 T C -1.519 173.120 174.700 -0.102 0.000 0.989 183 T CA -0.840 61.199 62.100 -0.101 0.000 1.159 183 T CB 1.206 69.962 68.868 -0.188 0.000 0.928 183 T HN 0.103 nan 8.240 nan 0.000 0.538 184 P HA -0.179 nan 4.420 nan 0.000 0.216 184 P C 1.622 178.891 177.300 -0.053 0.000 1.153 184 P CA 0.926 64.004 63.100 -0.035 0.000 0.858 184 P CB 0.146 31.830 31.700 -0.026 0.000 0.789 185 E N -1.375 118.779 120.200 -0.076 0.000 2.478 185 E HA -0.082 4.268 4.350 0.000 0.000 0.198 185 E C 0.729 177.269 176.600 -0.099 0.000 1.046 185 E CA 0.868 57.217 56.400 -0.085 0.000 0.870 185 E CB -0.865 28.800 29.700 -0.057 0.000 0.818 185 E HN 0.313 nan 8.360 nan 0.000 0.527 186 N N 0.904 119.493 118.700 -0.184 0.000 2.254 186 N HA 0.023 4.763 4.740 0.000 0.000 0.190 186 N C 1.285 176.669 175.510 -0.210 0.000 1.107 186 N CA 0.128 53.012 53.050 -0.277 0.000 0.869 186 N CB 0.254 38.352 38.487 -0.648 0.000 0.983 186 N HN 0.282 nan 8.380 nan 0.000 0.487 187 Q N 0.332 120.042 119.800 -0.149 0.000 2.508 187 Q HA 0.004 4.344 4.340 0.000 0.000 0.214 187 Q C 1.560 177.392 176.000 -0.282 0.000 0.979 187 Q CA 0.333 56.057 55.803 -0.132 0.000 0.911 187 Q CB 0.062 28.817 28.738 0.029 0.000 0.969 187 Q HN 0.086 nan 8.270 nan 0.000 0.504 188 V N 0.574 120.323 119.914 -0.276 0.000 3.186 188 V HA -0.178 3.943 4.120 0.000 0.000 0.270 188 V C 1.797 177.707 176.094 -0.307 0.000 1.149 188 V CA 1.401 63.496 62.300 -0.340 0.000 1.160 188 V CB -0.442 31.206 31.823 -0.292 0.000 0.758 188 V HN 0.402 nan 8.190 nan 0.000 0.516 189 A N -0.384 122.293 122.820 -0.238 0.000 2.168 189 A HA -0.025 4.295 4.320 0.000 0.000 0.215 189 A C 2.084 179.554 177.584 -0.190 0.000 1.152 189 A CA 0.985 52.909 52.037 -0.189 0.000 0.716 189 A CB -0.438 18.531 19.000 -0.051 0.000 0.794 189 A HN 0.461 nan 8.150 nan 0.000 0.465 190 I N -0.085 120.333 120.570 -0.255 0.000 2.264 190 I HA -0.268 3.903 4.170 0.000 0.000 0.248 190 I C 2.065 178.114 176.117 -0.113 0.000 1.111 190 I CA 2.005 63.165 61.300 -0.234 0.000 1.382 190 I CB -1.064 36.653 38.000 -0.472 0.000 1.060 190 I HN 0.663 nan 8.210 nan 0.000 0.418 191 H N -0.380 118.530 119.070 -0.266 0.000 2.353 191 H HA -0.255 4.301 4.556 0.000 0.000 0.300 191 H C 2.227 177.443 175.328 -0.187 0.000 1.090 191 H CA 1.689 57.618 56.048 -0.198 0.000 1.327 191 H CB 0.352 29.968 29.762 -0.243 0.000 1.383 191 H HN 0.269 nan 8.280 nan 0.000 0.508 192 Q N 0.564 120.201 119.800 -0.270 0.000 2.119 192 Q HA -0.081 4.259 4.340 0.000 0.000 0.201 192 Q C 2.346 178.172 176.000 -0.290 0.000 0.972 192 Q CA 1.522 57.030 55.803 -0.491 0.000 0.847 192 Q CB -0.294 27.863 28.738 -0.969 0.000 0.903 192 Q HN 0.359 nan 8.270 nan 0.000 0.433 193 V N 0.370 120.253 119.914 -0.051 0.000 2.490 193 V HA -0.256 3.865 4.120 0.000 0.000 0.250 193 V C 2.273 178.643 176.094 0.461 0.000 1.061 193 V CA 1.607 64.101 62.300 0.323 0.000 1.064 193 V CB -0.567 31.506 31.823 0.417 0.000 0.670 193 V HN 0.427 nan 8.190 nan 0.000 0.461 194 M N -0.763 119.032 119.600 0.324 0.000 2.117 194 M HA -0.122 4.358 4.480 0.000 0.000 0.262 194 M C 2.204 178.670 176.300 0.276 0.000 1.065 194 M CA 2.006 57.519 55.300 0.355 0.000 1.114 194 M CB -0.849 31.924 32.600 0.289 0.000 1.361 194 M HN 0.297 nan 8.290 nan 0.000 0.408 195 I N -0.172 120.487 120.570 0.149 0.000 2.252 195 I HA -0.282 3.888 4.170 0.000 0.000 0.245 195 I C 2.398 178.573 176.117 0.098 0.000 1.102 195 I CA 0.631 61.983 61.300 0.087 0.000 1.385 195 I CB -0.460 37.512 38.000 -0.046 0.000 1.064 195 I HN 0.189 nan 8.210 nan 0.000 0.414 196 L N 0.495 121.769 121.223 0.084 0.000 2.012 196 L HA -0.169 4.171 4.340 0.000 0.000 0.210 196 L C 1.854 178.698 176.870 -0.043 0.000 1.073 196 L CA 2.061 56.917 54.840 0.028 0.000 0.748 196 L CB -0.582 41.514 42.059 0.061 0.000 0.891 196 L HN 0.057 nan 8.230 nan 0.000 0.431 197 F N -0.457 119.602 119.950 0.182 0.000 2.797 197 F HA 0.163 4.690 4.527 0.000 0.000 0.302 197 F C 1.669 177.558 175.800 0.148 0.000 1.130 197 F CA 0.231 58.332 58.000 0.169 0.000 1.387 197 F CB -0.544 38.578 39.000 0.204 0.000 1.107 197 F HN 0.166 nan 8.300 nan 0.000 0.577 198 S N -1.058 114.798 115.700 0.261 0.000 2.661 198 S HA 0.078 4.548 4.470 0.000 0.000 0.265 198 S C 0.973 175.664 174.600 0.152 0.000 1.225 198 S CA -0.639 57.683 58.200 0.204 0.000 0.986 198 S CB 0.702 64.009 63.200 0.179 0.000 1.008 198 S HN 0.077 nan 8.310 nan 0.000 0.565 199 D N 0.093 120.571 120.400 0.130 0.000 2.348 199 D HA 0.037 4.677 4.640 0.000 0.000 0.216 199 D C 1.797 178.151 176.300 0.089 0.000 0.970 199 D CA 0.368 54.430 54.000 0.103 0.000 0.889 199 D CB -0.132 40.722 40.800 0.090 0.000 0.912 199 D HN 0.367 nan 8.370 nan 0.000 0.524 200 R N 0.229 120.788 120.500 0.098 0.000 2.193 200 R HA -0.011 4.330 4.340 0.000 0.000 0.229 200 R C 2.053 178.412 176.300 0.098 0.000 1.110 200 R CA 0.749 56.909 56.100 0.100 0.000 0.988 200 R CB -0.766 29.603 30.300 0.115 0.000 0.871 200 R HN 0.176 nan 8.270 nan 0.000 0.458 201 G N 0.734 109.581 108.800 0.080 0.000 2.534 201 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 201 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 201 G C 0.461 175.391 174.900 0.051 0.000 1.128 201 G CA 0.920 46.051 45.100 0.052 0.000 0.784 201 G HN 0.377 nan 8.290 nan 0.000 0.542 202 T N -0.511 114.077 114.554 0.056 0.000 3.317 202 T HA 0.556 4.906 4.350 0.000 0.000 0.361 202 T C -3.071 171.656 174.700 0.046 0.000 1.499 202 T CA -2.039 60.089 62.100 0.046 0.000 1.529 202 T CB 2.419 71.308 68.868 0.035 0.000 0.997 202 T HN -0.143 nan 8.240 nan 0.000 0.624 203 P HA 0.277 nan 4.420 nan 0.000 0.268 203 P C 0.996 178.308 177.300 0.020 0.000 1.208 203 P CA -0.306 62.819 63.100 0.043 0.000 0.777 203 P CB 0.503 32.237 31.700 0.058 0.000 0.875 204 A N 2.229 125.066 122.820 0.029 0.000 2.014 204 A HA -0.039 4.282 4.320 0.000 0.000 0.218 204 A C 0.575 178.206 177.584 0.078 0.000 1.163 204 A CA 1.716 53.790 52.037 0.062 0.000 0.652 204 A CB -1.038 17.998 19.000 0.060 0.000 0.808 204 A HN 0.846 nan 8.150 nan 0.000 0.449 205 N N -5.675 113.002 118.700 -0.038 0.000 3.465 205 N HA 0.203 4.943 4.740 0.000 0.000 0.244 205 N C -0.294 175.092 175.510 -0.207 0.000 1.454 205 N CA -0.552 52.389 53.050 -0.182 0.000 0.865 205 N CB -0.144 38.261 38.487 -0.137 0.000 1.439 205 N HN -0.178 nan 8.380 nan 0.000 0.480 206 Y N -0.336 119.850 120.300 -0.190 0.000 2.439 206 Y HA 0.179 4.729 4.550 0.000 0.000 0.292 206 Y C 1.768 177.507 175.900 -0.268 0.000 1.130 206 Y CA 0.663 58.488 58.100 -0.459 0.000 1.254 206 Y CB -0.151 37.673 38.460 -1.060 0.000 1.000 206 Y HN 0.426 nan 8.280 nan 0.000 0.554 207 R N -0.984 119.526 120.500 0.018 0.000 2.307 207 R HA 0.068 4.408 4.340 0.000 0.000 0.199 207 R C 0.897 177.175 176.300 -0.037 0.000 1.000 207 R CA 0.793 56.896 56.100 0.005 0.000 1.023 207 R CB 0.002 30.258 30.300 -0.073 0.000 0.908 207 R HN -0.026 nan 8.270 nan 0.000 0.473 208 S N 0.812 116.530 115.700 0.030 0.000 2.624 208 S HA 0.276 4.746 4.470 0.000 0.000 0.246 208 S C -0.177 174.458 174.600 0.058 0.000 1.072 208 S CA -0.489 57.721 58.200 0.016 0.000 1.045 208 S CB 0.188 63.387 63.200 -0.001 0.000 0.851 208 S HN 0.220 nan 8.310 nan 0.000 0.480 209 M N -0.370 119.348 119.600 0.197 0.000 2.618 209 M HA 0.657 5.137 4.480 0.000 0.000 0.281 209 M C -1.307 175.276 176.300 0.471 0.000 1.267 209 M CA -0.906 54.523 55.300 0.216 0.000 0.845 209 M CB 1.289 34.059 32.600 0.283 0.000 1.732 209 M HN -0.127 nan 8.290 nan 0.000 0.461 210 H N -0.109 119.230 119.070 0.448 0.000 2.508 210 H HA 0.788 5.344 4.556 0.000 0.000 0.344 210 H C -0.296 175.173 175.328 0.236 0.000 1.192 210 H CA -0.492 55.745 56.048 0.316 0.000 1.290 210 H CB 1.704 31.448 29.762 -0.029 0.000 1.571 210 H HN 0.948 nan 8.280 nan 0.000 0.555 211 G N -0.012 108.763 108.800 -0.041 0.000 2.453 211 G HA2 0.519 4.479 3.960 0.000 0.000 0.323 211 G HA3 0.519 4.479 3.960 0.000 0.000 0.323 211 G C -1.774 172.842 174.900 -0.474 0.000 1.198 211 G CA -0.390 44.542 45.100 -0.281 0.000 0.959 211 G HN 0.399 nan 8.290 nan 0.000 0.482 212 Y N -0.281 119.899 120.300 -0.200 0.000 2.513 212 Y HA 0.297 4.847 4.550 0.000 0.000 0.340 212 Y C 1.306 176.623 175.900 -0.972 0.000 1.055 212 Y CA -0.585 57.199 58.100 -0.528 0.000 1.020 212 Y CB 2.338 40.531 38.460 -0.445 0.000 1.301 212 Y HN 0.646 nan 8.280 nan 0.000 0.453 213 S N 0.368 115.304 115.700 -1.274 0.000 2.399 213 S HA 0.028 4.499 4.470 0.000 0.000 0.231 213 S C 1.843 176.095 174.600 -0.581 0.000 1.022 213 S CA 1.321 58.660 58.200 -1.435 0.000 0.983 213 S CB -0.595 62.039 63.200 -0.942 0.000 0.803 213 S HN 1.637 nan 8.310 nan 0.000 0.480 214 G N 2.184 110.684 108.800 -0.500 0.000 4.148 214 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 214 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 214 G C 0.214 174.842 174.900 -0.453 0.000 1.373 214 G CA 0.450 45.262 45.100 -0.480 0.000 0.940 214 G HN 0.714 nan 8.290 nan 0.000 0.610 215 H N 1.350 120.308 119.070 -0.187 0.000 2.546 215 H HA 0.492 5.048 4.556 0.000 0.000 0.365 215 H C 0.116 175.341 175.328 -0.172 0.000 1.220 215 H CA 0.727 56.668 56.048 -0.178 0.000 1.386 215 H CB 0.408 30.008 29.762 -0.269 0.000 1.510 215 H HN 0.280 nan 8.280 nan 0.000 0.591 216 T N 2.306 116.871 114.554 0.018 0.000 2.817 216 T HA 0.250 4.600 4.350 0.000 0.000 0.293 216 T C -0.295 174.458 174.700 0.088 0.000 0.964 216 T CA -0.122 62.020 62.100 0.070 0.000 1.085 216 T CB -0.062 68.938 68.868 0.219 0.000 0.921 216 T HN 0.268 nan 8.240 nan 0.000 0.502 217 Y N 1.268 121.633 120.300 0.109 0.000 2.602 217 Y HA 0.512 5.062 4.550 0.000 0.000 0.330 217 Y C 0.672 176.752 175.900 0.300 0.000 1.114 217 Y CA -1.140 57.079 58.100 0.199 0.000 1.182 217 Y CB 1.445 40.012 38.460 0.178 0.000 1.305 217 Y HN 0.349 nan 8.280 nan 0.000 0.502 218 K N 1.554 122.287 120.400 0.555 0.000 2.425 218 K HA 0.248 4.568 4.320 0.000 0.000 0.259 218 K C -1.795 175.228 176.600 0.706 0.000 0.978 218 K CA -0.528 56.069 56.287 0.518 0.000 0.883 218 K CB 0.998 33.678 32.500 0.301 0.000 1.110 218 K HN 0.416 nan 8.250 nan 0.000 0.436 219 W N 1.043 122.576 121.300 0.388 0.000 2.551 219 W HA 0.389 5.049 4.660 0.000 0.000 0.330 219 W C 0.002 176.765 176.519 0.407 0.000 1.063 219 W CA -0.874 56.690 57.345 0.363 0.000 1.222 219 W CB 1.661 31.302 29.460 0.300 0.000 1.349 219 W HN 0.334 nan 8.180 nan 0.000 0.536 220 S N 2.244 118.316 115.700 0.620 0.000 2.536 220 S HA 0.394 4.864 4.470 0.000 0.000 0.298 220 S C -0.053 174.799 174.600 0.420 0.000 1.083 220 S CA -0.840 57.705 58.200 0.576 0.000 0.995 220 S CB 1.529 65.122 63.200 0.655 0.000 1.058 220 S HN 0.470 nan 8.310 nan 0.000 0.488 221 N N 1.193 120.071 118.700 0.296 0.000 2.418 221 N HA 0.312 5.052 4.740 0.000 0.000 0.283 221 N C 0.318 175.843 175.510 0.025 0.000 1.267 221 N CA -0.685 52.412 53.050 0.078 0.000 0.975 221 N CB 0.221 38.767 38.487 0.098 0.000 1.167 221 N HN 0.437 nan 8.380 nan 0.000 0.581 222 K N -1.057 119.273 120.400 -0.116 0.000 2.362 222 K HA 0.026 4.346 4.320 0.000 0.000 0.200 222 K C 0.411 177.066 176.600 0.093 0.000 1.046 222 K CA 0.852 57.125 56.287 -0.024 0.000 0.952 222 K CB -0.202 32.247 32.500 -0.086 0.000 0.753 222 K HN 0.448 nan 8.250 nan 0.000 0.466 223 N N -0.489 118.264 118.700 0.090 0.000 2.467 223 N HA 0.002 4.742 4.740 0.000 0.000 0.184 223 N C 0.768 176.358 175.510 0.135 0.000 1.106 223 N CA 0.918 54.027 53.050 0.098 0.000 0.892 223 N CB 0.905 39.442 38.487 0.083 0.000 0.969 223 N HN 0.314 nan 8.380 nan 0.000 0.454 224 G N -0.407 108.509 108.800 0.192 0.000 2.176 224 G HA2 -0.225 3.735 3.960 0.000 0.000 0.232 224 G HA3 -0.225 3.735 3.960 0.000 0.000 0.232 224 G C -0.703 174.441 174.900 0.406 0.000 0.986 224 G CA -0.206 45.049 45.100 0.259 0.000 0.643 224 G HN 0.265 nan 8.290 nan 0.000 0.522 225 D N 1.125 121.700 120.400 0.291 0.000 2.350 225 D HA 0.465 5.105 4.640 0.000 0.000 0.249 225 D C 0.862 177.368 176.300 0.344 0.000 1.119 225 D CA 0.496 54.632 54.000 0.225 0.000 0.886 225 D CB 0.609 41.484 40.800 0.125 0.000 1.195 225 D HN 0.575 nan 8.370 nan 0.000 0.437 226 W N 1.265 122.593 121.300 0.047 0.000 2.962 226 W HA 0.572 5.232 4.660 0.000 0.000 0.341 226 W C -1.293 175.158 176.519 -0.114 0.000 1.155 226 W CA -0.833 56.553 57.345 0.068 0.000 1.165 226 W CB 0.400 29.850 29.460 -0.017 0.000 1.435 226 W HN 0.281 nan 8.180 nan 0.000 0.546 227 H N -0.211 118.991 119.070 0.220 0.000 2.895 227 H HA 0.375 4.931 4.556 0.000 0.000 0.373 227 H C -1.246 174.197 175.328 0.192 0.000 1.174 227 H CA -0.638 55.414 56.048 0.007 0.000 1.144 227 H CB 1.895 31.688 29.762 0.052 0.000 1.793 227 H HN 0.202 nan 8.280 nan 0.000 0.551 228 Y N 0.940 121.448 120.300 0.347 0.000 2.377 228 Y HA 0.382 4.932 4.550 0.000 0.000 0.330 228 Y C -0.002 176.126 175.900 0.380 0.000 1.108 228 Y CA -0.214 58.123 58.100 0.395 0.000 1.308 228 Y CB 0.595 39.257 38.460 0.337 0.000 1.216 228 Y HN 0.227 nan 8.280 nan 0.000 0.518 229 V N 4.291 124.403 119.914 0.331 0.000 2.735 229 V HA 0.434 4.554 4.120 0.000 0.000 0.310 229 V C -0.613 175.299 176.094 -0.303 0.000 1.061 229 V CA -1.118 61.121 62.300 -0.102 0.000 0.913 229 V CB 2.042 33.399 31.823 -0.777 0.000 1.005 229 V HN 0.640 nan 8.190 nan 0.000 0.428 230 Q N 2.283 121.803 119.800 -0.466 0.000 2.337 230 Q HA 0.661 5.001 4.340 0.000 0.000 0.270 230 Q C -1.502 174.251 176.000 -0.412 0.000 1.043 230 Q CA -0.654 54.801 55.803 -0.579 0.000 0.794 230 Q CB 2.977 31.177 28.738 -0.896 0.000 1.281 230 Q HN 0.569 nan 8.270 nan 0.000 0.446 231 V N 2.592 122.191 119.914 -0.524 0.000 2.483 231 V HA 0.379 4.499 4.120 0.000 0.000 0.295 231 V C -0.416 175.417 176.094 -0.436 0.000 1.035 231 V CA -0.652 61.404 62.300 -0.407 0.000 0.896 231 V CB 1.479 32.967 31.823 -0.559 0.000 0.986 231 V HN 0.695 nan 8.190 nan 0.000 0.447 232 H N 4.824 123.815 119.070 -0.131 0.000 2.589 232 H HA 0.519 5.075 4.556 0.000 0.000 0.335 232 H C -0.934 174.373 175.328 -0.035 0.000 1.019 232 H CA -0.456 55.507 56.048 -0.142 0.000 1.213 232 H CB 2.297 32.032 29.762 -0.045 0.000 1.472 232 H HN 0.471 nan 8.280 nan 0.000 0.508 233 I N 4.503 125.029 120.570 -0.074 0.000 2.388 233 I HA 0.119 4.289 4.170 0.000 0.000 0.281 233 I C -0.267 175.993 176.117 0.237 0.000 1.046 233 I CA -0.749 60.600 61.300 0.082 0.000 1.187 233 I CB 0.615 38.502 38.000 -0.188 0.000 1.351 233 I HN 0.161 nan 8.210 nan 0.000 0.472 234 K N 3.699 124.302 120.400 0.339 0.000 2.227 234 K HA 0.238 4.558 4.320 0.000 0.000 0.280 234 K C 0.165 177.100 176.600 0.558 0.000 1.041 234 K CA -0.398 56.084 56.287 0.324 0.000 0.905 234 K CB 1.655 34.268 32.500 0.187 0.000 1.068 234 K HN 0.416 nan 8.250 nan 0.000 0.470 235 T N 2.009 116.958 114.554 0.659 0.000 2.853 235 T HA 0.010 4.360 4.350 0.000 0.000 0.298 235 T C 0.531 175.240 174.700 0.015 0.000 0.978 235 T CA -0.225 61.903 62.100 0.048 0.000 1.152 235 T CB 0.125 69.002 68.868 0.015 0.000 0.914 235 T HN 0.309 nan 8.240 nan 0.000 0.539 236 D N 3.883 124.198 120.400 -0.142 0.000 2.347 236 D HA -0.002 4.638 4.640 0.000 0.000 0.215 236 D C 1.697 177.950 176.300 -0.078 0.000 0.976 236 D CA 0.695 54.663 54.000 -0.053 0.000 0.884 236 D CB 0.283 41.053 40.800 -0.050 0.000 0.915 236 D HN 0.600 nan 8.370 nan 0.000 0.526 237 Q N 0.080 119.787 119.800 -0.154 0.000 2.398 237 Q HA 0.311 4.651 4.340 0.000 0.000 0.204 237 Q C 0.852 176.824 176.000 -0.047 0.000 0.932 237 Q CA 0.439 56.176 55.803 -0.111 0.000 0.916 237 Q CB 0.535 29.175 28.738 -0.164 0.000 1.024 237 Q HN 0.211 nan 8.270 nan 0.000 0.504 238 G N 0.334 109.126 108.800 -0.013 0.000 2.692 238 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 238 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 238 G C -0.792 174.110 174.900 0.002 0.000 1.243 238 G CA -0.944 44.173 45.100 0.028 0.000 0.782 238 G HN 0.053 nan 8.290 nan 0.000 0.625 239 I N 1.401 121.973 120.570 0.004 0.000 2.533 239 I HA 0.336 4.506 4.170 0.000 0.000 0.284 239 I C 0.736 176.857 176.117 0.008 0.000 1.109 239 I CA 0.577 61.860 61.300 -0.029 0.000 1.412 239 I CB 1.095 39.076 38.000 -0.031 0.000 1.396 239 I HN 0.632 nan 8.210 nan 0.000 0.543 240 K N 6.375 126.781 120.400 0.009 0.000 2.513 240 K HA 0.440 4.760 4.320 0.000 0.000 0.251 240 K C -1.208 175.409 176.600 0.029 0.000 0.939 240 K CA -0.625 55.674 56.287 0.021 0.000 0.793 240 K CB 1.849 34.358 32.500 0.016 0.000 1.241 240 K HN 0.548 nan 8.250 nan 0.000 0.431 241 N N 3.111 121.832 118.700 0.034 0.000 2.469 241 N HA 0.523 5.263 4.740 0.000 0.000 0.286 241 N C -0.946 174.584 175.510 0.033 0.000 1.275 241 N CA -0.593 52.481 53.050 0.039 0.000 0.790 241 N CB 1.431 39.948 38.487 0.050 0.000 1.446 241 N HN 0.394 nan 8.380 nan 0.000 0.501 242 L N 0.353 121.594 121.223 0.030 0.000 2.334 242 L HA 0.524 4.864 4.340 0.000 0.000 0.270 242 L C 0.930 177.819 176.870 0.033 0.000 1.018 242 L CA -0.854 53.996 54.840 0.016 0.000 0.811 242 L CB 1.661 43.715 42.059 -0.010 0.000 1.271 242 L HN 0.625 nan 8.230 nan 0.000 0.443 243 T N -2.151 112.420 114.554 0.029 0.000 2.874 243 T HA 0.198 4.548 4.350 0.000 0.000 0.281 243 T C 0.883 175.623 174.700 0.065 0.000 0.994 243 T CA -0.590 61.543 62.100 0.055 0.000 1.015 243 T CB 1.410 70.301 68.868 0.038 0.000 1.028 243 T HN 0.463 nan 8.240 nan 0.000 0.523 244 I N 0.739 121.379 120.570 0.116 0.000 2.567 244 I HA -0.021 4.149 4.170 0.000 0.000 0.257 244 I C 1.968 178.139 176.117 0.090 0.000 1.184 244 I CA 1.348 62.715 61.300 0.112 0.000 1.451 244 I CB -0.739 37.360 38.000 0.164 0.000 1.089 244 I HN 0.769 nan 8.210 nan 0.000 0.441 245 E N 0.377 120.635 120.200 0.096 0.000 2.072 245 E HA -0.167 4.183 4.350 0.000 0.000 0.190 245 E C 2.089 178.697 176.600 0.013 0.000 0.982 245 E CA 1.382 57.819 56.400 0.062 0.000 0.803 245 E CB -0.235 29.497 29.700 0.053 0.000 0.755 245 E HN 0.552 nan 8.360 nan 0.000 0.453 246 E N 0.522 120.720 120.200 -0.004 0.000 2.072 246 E HA -0.147 4.203 4.350 0.000 0.000 0.191 246 E C 2.074 178.627 176.600 -0.077 0.000 0.985 246 E CA 0.932 57.305 56.400 -0.045 0.000 0.801 246 E CB -0.157 29.514 29.700 -0.050 0.000 0.750 246 E HN 0.268 nan 8.360 nan 0.000 0.452 247 A N 0.844 123.634 122.820 -0.050 0.000 1.902 247 A HA -0.167 4.153 4.320 0.000 0.000 0.217 247 A C 2.361 179.913 177.584 -0.052 0.000 1.181 247 A CA 1.807 53.807 52.037 -0.061 0.000 0.623 247 A CB -0.788 18.201 19.000 -0.018 0.000 0.818 247 A HN 0.162 nan 8.150 nan 0.000 0.443 248 T N -0.214 114.327 114.554 -0.022 0.000 2.821 248 T HA -0.090 4.261 4.350 0.000 0.000 0.267 248 T C 1.927 176.608 174.700 -0.031 0.000 1.046 248 T CA 1.652 63.742 62.100 -0.016 0.000 1.139 248 T CB -0.142 68.730 68.868 0.007 0.000 0.871 248 T HN 0.528 nan 8.240 nan 0.000 0.454 249 K N 0.588 120.963 120.400 -0.041 0.000 2.057 249 K HA 0.092 4.412 4.320 0.000 0.000 0.206 249 K C 2.125 178.681 176.600 -0.074 0.000 1.050 249 K CA 1.046 57.304 56.287 -0.048 0.000 0.935 249 K CB -0.202 32.270 32.500 -0.047 0.000 0.715 249 K HN 0.320 nan 8.250 nan 0.000 0.439 250 I N 0.767 121.262 120.570 -0.126 0.000 2.546 250 I HA -0.188 3.982 4.170 0.000 0.000 0.255 250 I C 2.293 178.348 176.117 -0.102 0.000 1.163 250 I CA 0.585 61.776 61.300 -0.181 0.000 1.457 250 I CB -0.256 37.500 38.000 -0.407 0.000 1.092 250 I HN 0.124 nan 8.210 nan 0.000 0.434 251 A N 0.777 123.554 122.820 -0.072 0.000 2.070 251 A HA -0.076 4.244 4.320 0.000 0.000 0.220 251 A C 2.335 179.903 177.584 -0.027 0.000 1.159 251 A CA 1.822 53.836 52.037 -0.038 0.000 0.656 251 A CB -0.953 18.027 19.000 -0.032 0.000 0.800 251 A HN 0.467 nan 8.150 nan 0.000 0.453 252 G N -1.629 107.154 108.800 -0.028 0.000 2.490 252 G HA2 0.025 3.985 3.960 0.000 0.000 0.211 252 G HA3 0.025 3.985 3.960 0.000 0.000 0.211 252 G C 1.822 176.715 174.900 -0.011 0.000 1.159 252 G CA 1.110 46.200 45.100 -0.018 0.000 0.819 252 G HN 0.528 nan 8.290 nan 0.000 0.539 253 S N 0.141 115.831 115.700 -0.016 0.000 2.368 253 S HA -0.042 4.428 4.470 0.000 0.000 0.224 253 S C 0.898 175.508 174.600 0.017 0.000 1.029 253 S CA 1.152 59.350 58.200 -0.004 0.000 0.988 253 S CB -0.120 63.070 63.200 -0.017 0.000 0.838 253 S HN 0.307 nan 8.310 nan 0.000 0.462 254 N N -0.064 118.650 118.700 0.024 0.000 2.732 254 N HA 0.382 5.122 4.740 0.000 0.000 0.247 254 N C -2.844 172.713 175.510 0.079 0.000 1.305 254 N CA -1.585 51.508 53.050 0.071 0.000 0.762 254 N CB 1.537 40.112 38.487 0.146 0.000 1.361 254 N HN -0.041 nan 8.380 nan 0.000 0.545 255 P HA 0.040 nan 4.420 nan 0.000 0.225 255 P C -0.367 176.994 177.300 0.101 0.000 1.148 255 P CA 1.090 64.216 63.100 0.044 0.000 0.779 255 P CB 0.318 32.022 31.700 0.006 0.000 0.780 256 D N -2.513 117.960 120.400 0.122 0.000 2.670 256 D HA 0.055 4.695 4.640 0.000 0.000 0.255 256 D C 0.891 177.274 176.300 0.139 0.000 1.286 256 D CA -0.426 53.658 54.000 0.140 0.000 0.830 256 D CB -0.170 40.678 40.800 0.080 0.000 1.065 256 D HN 0.118 nan 8.370 nan 0.000 0.486 257 Y N 1.022 121.336 120.300 0.024 0.000 2.097 257 Y HA -0.328 4.222 4.550 0.000 0.000 0.282 257 Y C 2.194 178.084 175.900 -0.018 0.000 1.152 257 Y CA 1.715 59.815 58.100 -0.000 0.000 1.136 257 Y CB -0.186 38.263 38.460 -0.019 0.000 0.975 257 Y HN 0.091 nan 8.280 nan 0.000 0.498 258 C N -0.205 119.080 119.300 -0.024 0.000 2.450 258 C HA -0.123 4.337 4.460 0.000 0.000 0.279 258 C C 2.638 177.614 174.990 -0.023 0.000 1.335 258 C CA 1.098 59.985 59.018 -0.218 0.000 1.749 258 C CB -1.154 26.238 27.740 -0.581 0.000 1.963 258 C HN 0.638 nan 8.230 nan 0.000 0.501 259 Q N 1.548 121.415 119.800 0.112 0.000 2.050 259 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 259 Q C 2.134 178.217 176.000 0.138 0.000 0.980 259 Q CA 1.932 57.844 55.803 0.181 0.000 0.840 259 Q CB -0.651 28.163 28.738 0.128 0.000 0.898 259 Q HN 0.740 nan 8.270 nan 0.000 0.424 260 Q N -0.409 119.418 119.800 0.044 0.000 2.084 260 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 260 Q C 1.522 177.535 176.000 0.022 0.000 0.978 260 Q CA 1.860 57.683 55.803 0.033 0.000 0.844 260 Q CB -0.233 28.487 28.738 -0.030 0.000 0.898 260 Q HN 0.610 nan 8.270 nan 0.000 0.426 261 D N -0.418 119.912 120.400 -0.117 0.000 2.097 261 D HA -0.204 4.436 4.640 0.000 0.000 0.195 261 D C 1.876 178.181 176.300 0.008 0.000 0.989 261 D CA 1.157 55.074 54.000 -0.139 0.000 0.827 261 D CB -0.104 40.515 40.800 -0.302 0.000 0.966 261 D HN 0.278 nan 8.370 nan 0.000 0.456 262 L N -0.547 120.729 121.223 0.088 0.000 2.046 262 L HA -0.010 4.330 4.340 0.000 0.000 0.208 262 L C 1.988 178.967 176.870 0.182 0.000 1.077 262 L CA 1.554 56.494 54.840 0.165 0.000 0.747 262 L CB -0.966 41.253 42.059 0.266 0.000 0.896 262 L HN 0.171 nan 8.230 nan 0.000 0.432 263 F N 0.599 120.610 119.950 0.103 0.000 2.075 263 F HA -0.218 4.309 4.527 0.000 0.000 0.297 263 F C 2.412 178.266 175.800 0.089 0.000 1.113 263 F CA 2.110 60.174 58.000 0.108 0.000 1.218 263 F CB -0.150 38.905 39.000 0.091 0.000 0.984 263 F HN 0.197 nan 8.300 nan 0.000 0.472 264 E N -0.096 120.242 120.200 0.230 0.000 2.150 264 E HA -0.168 4.182 4.350 0.000 0.000 0.193 264 E C 2.316 178.932 176.600 0.026 0.000 0.985 264 E CA 0.802 57.276 56.400 0.124 0.000 0.814 264 E CB -0.357 29.413 29.700 0.116 0.000 0.752 264 E HN 0.496 nan 8.360 nan 0.000 0.466 265 A N 1.231 124.067 122.820 0.027 0.000 1.877 265 A HA -0.189 4.131 4.320 0.000 0.000 0.216 265 A C 2.157 179.756 177.584 0.026 0.000 1.186 265 A CA 1.184 53.229 52.037 0.013 0.000 0.620 265 A CB -0.555 18.465 19.000 0.033 0.000 0.822 265 A HN 0.145 nan 8.150 nan 0.000 0.443 266 I N -0.833 119.777 120.570 0.067 0.000 2.315 266 I HA -0.255 3.915 4.170 0.000 0.000 0.248 266 I C 2.775 178.944 176.117 0.087 0.000 1.117 266 I CA 1.563 62.972 61.300 0.181 0.000 1.404 266 I CB -0.322 37.737 38.000 0.098 0.000 1.071 266 I HN 0.526 nan 8.210 nan 0.000 0.419 267 Q N 1.062 120.800 119.800 -0.103 0.000 2.124 267 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 267 Q C 1.383 177.370 176.000 -0.022 0.000 0.977 267 Q CA 1.404 57.148 55.803 -0.098 0.000 0.850 267 Q CB 0.104 28.760 28.738 -0.136 0.000 0.901 267 Q HN 0.468 nan 8.270 nan 0.000 0.429 268 N N -0.928 117.751 118.700 -0.036 0.000 2.383 268 N HA 0.057 4.797 4.740 0.000 0.000 0.192 268 N C 0.600 176.025 175.510 -0.141 0.000 1.141 268 N CA 0.925 53.941 53.050 -0.056 0.000 0.851 268 N CB 1.018 39.481 38.487 -0.041 0.000 0.976 268 N HN 0.467 nan 8.380 nan 0.000 0.465 269 G N 1.365 110.021 108.800 -0.240 0.000 2.179 269 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 269 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 269 G C 0.167 174.530 174.900 -0.895 0.000 0.977 269 G CA 0.028 44.728 45.100 -0.666 0.000 0.641 269 G HN 0.521 nan 8.290 nan 0.000 0.533 270 N N 0.581 119.023 118.700 -0.429 0.000 2.968 270 N HA 0.293 5.033 4.740 0.000 0.000 0.271 270 N C -0.314 175.127 175.510 -0.115 0.000 1.174 270 N CA -0.507 52.386 53.050 -0.262 0.000 1.096 270 N CB -0.108 38.301 38.487 -0.130 0.000 1.403 270 N HN 0.203 nan 8.380 nan 0.000 0.522 271 Y N 2.244 122.551 120.300 0.012 0.000 2.544 271 Y HA 0.171 4.721 4.550 0.000 0.000 0.330 271 Y C -1.550 174.350 175.900 -0.000 0.000 1.136 271 Y CA -2.480 55.637 58.100 0.027 0.000 1.417 271 Y CB -0.190 38.300 38.460 0.051 0.000 1.229 271 Y HN 0.401 nan 8.280 nan 0.000 0.532 272 P HA 0.187 nan 4.420 nan 0.000 0.280 272 P C -0.785 176.485 177.300 -0.050 0.000 1.244 272 P CA -0.315 62.750 63.100 -0.058 0.000 0.784 272 P CB 1.427 33.080 31.700 -0.078 0.000 0.913 273 S N 2.331 117.884 115.700 -0.245 0.000 2.599 273 S HA 0.734 5.204 4.470 0.000 0.000 0.287 273 S C -1.276 173.221 174.600 -0.171 0.000 1.105 273 S CA -0.780 57.413 58.200 -0.011 0.000 0.899 273 S CB 1.732 64.960 63.200 0.047 0.000 1.100 273 S HN 0.515 nan 8.310 nan 0.000 0.482 274 W N 0.450 121.866 121.300 0.193 0.000 2.936 274 W HA 0.429 5.089 4.660 0.000 0.000 0.338 274 W C -0.949 175.670 176.519 0.166 0.000 1.121 274 W CA -0.710 56.778 57.345 0.238 0.000 1.209 274 W CB 2.523 32.197 29.460 0.358 0.000 1.420 274 W HN 0.579 nan 8.180 nan 0.000 0.516 275 T N 2.099 116.842 114.554 0.316 0.000 2.795 275 T HA 0.363 4.713 4.350 0.000 0.000 0.282 275 T C -0.155 174.576 174.700 0.053 0.000 0.980 275 T CA -0.424 61.732 62.100 0.094 0.000 1.012 275 T CB 1.652 70.503 68.868 -0.028 0.000 0.936 275 T HN 0.042 nan 8.240 nan 0.000 0.457 276 V N 4.632 124.561 119.914 0.026 0.000 2.439 276 V HA 0.467 4.587 4.120 0.000 0.000 0.282 276 V C -0.914 175.109 176.094 -0.117 0.000 1.039 276 V CA -0.565 61.821 62.300 0.143 0.000 0.913 276 V CB 0.168 32.279 31.823 0.480 0.000 0.983 276 V HN 0.785 nan 8.190 nan 0.000 0.460 277 Y N 4.425 124.828 120.300 0.171 0.000 2.605 277 Y HA 0.788 5.338 4.550 0.000 0.000 0.343 277 Y C 0.144 176.092 175.900 0.080 0.000 1.036 277 Y CA -1.073 57.090 58.100 0.105 0.000 1.065 277 Y CB 2.021 40.504 38.460 0.039 0.000 1.288 277 Y HN 0.618 nan 8.280 nan 0.000 0.481 278 I N -1.191 119.508 120.570 0.214 0.000 2.934 278 I HA 0.667 4.837 4.170 0.000 0.000 0.306 278 I C -1.535 174.639 176.117 0.095 0.000 1.110 278 I CA -1.233 60.110 61.300 0.071 0.000 1.019 278 I CB 2.538 40.471 38.000 -0.113 0.000 1.227 278 I HN 0.499 nan 8.210 nan 0.000 0.434 279 Q N 2.855 122.716 119.800 0.102 0.000 2.322 279 Q HA 0.510 4.850 4.340 0.000 0.000 0.265 279 Q C -0.764 175.408 176.000 0.287 0.000 0.985 279 Q CA -0.787 55.156 55.803 0.234 0.000 0.849 279 Q CB 2.466 31.436 28.738 0.387 0.000 1.274 279 Q HN 0.842 nan 8.270 nan 0.000 0.449 280 T N -0.315 114.389 114.554 0.250 0.000 2.950 280 T HA 0.826 5.176 4.350 0.000 0.000 0.288 280 T C -0.310 174.518 174.700 0.212 0.000 1.035 280 T CA -0.877 61.351 62.100 0.213 0.000 1.028 280 T CB 1.662 70.511 68.868 -0.031 0.000 1.109 280 T HN 0.635 nan 8.240 nan 0.000 0.514 281 M N 2.135 121.853 119.600 0.197 0.000 2.373 281 M HA 0.369 4.850 4.480 0.000 0.000 0.290 281 M C -0.750 175.558 176.300 0.014 0.000 1.143 281 M CA -0.495 54.788 55.300 -0.029 0.000 0.949 281 M CB 2.251 34.461 32.600 -0.651 0.000 1.756 281 M HN 1.110 nan 8.290 nan 0.000 0.494 282 T N -1.016 113.470 114.554 -0.113 0.000 2.824 282 T HA 0.318 4.668 4.350 0.000 0.000 0.277 282 T C 0.697 175.230 174.700 -0.279 0.000 0.975 282 T CA -0.291 61.579 62.100 -0.383 0.000 0.966 282 T CB 1.318 69.968 68.868 -0.363 0.000 1.054 282 T HN 0.864 nan 8.240 nan 0.000 0.533 283 E N -0.179 119.746 120.200 -0.459 0.000 2.106 283 E HA -0.170 4.180 4.350 0.000 0.000 0.192 283 E C 2.320 178.874 176.600 -0.077 0.000 0.984 283 E CA 0.639 56.954 56.400 -0.142 0.000 0.806 283 E CB -0.048 29.512 29.700 -0.233 0.000 0.750 283 E HN 0.664 nan 8.360 nan 0.000 0.458 284 R N 0.587 121.002 120.500 -0.141 0.000 2.081 284 R HA -0.163 4.177 4.340 0.000 0.000 0.235 284 R C 1.473 177.718 176.300 -0.091 0.000 1.131 284 R CA 1.980 58.019 56.100 -0.103 0.000 0.960 284 R CB -0.166 30.069 30.300 -0.110 0.000 0.856 284 R HN 0.162 nan 8.270 nan 0.000 0.436 285 D N 0.602 120.947 120.400 -0.092 0.000 2.144 285 D HA -0.122 4.518 4.640 0.000 0.000 0.199 285 D C 1.782 177.979 176.300 -0.171 0.000 0.984 285 D CA 1.413 55.369 54.000 -0.073 0.000 0.834 285 D CB -0.207 40.595 40.800 0.004 0.000 0.955 285 D HN 0.433 nan 8.370 nan 0.000 0.465 286 A N 1.177 123.876 122.820 -0.201 0.000 1.933 286 A HA -0.198 4.122 4.320 0.000 0.000 0.218 286 A C 2.076 179.517 177.584 -0.239 0.000 1.175 286 A CA 1.342 53.200 52.037 -0.299 0.000 0.628 286 A CB -0.346 18.522 19.000 -0.220 0.000 0.814 286 A HN 0.135 nan 8.150 nan 0.000 0.444 287 K N -0.292 120.024 120.400 -0.139 0.000 2.217 287 K HA -0.060 4.260 4.320 0.000 0.000 0.202 287 K C 1.637 178.168 176.600 -0.115 0.000 1.051 287 K CA 1.346 57.570 56.287 -0.105 0.000 0.952 287 K CB -0.060 32.401 32.500 -0.065 0.000 0.736 287 K HN 0.423 nan 8.250 nan 0.000 0.453 288 K N 0.462 120.787 120.400 -0.125 0.000 2.418 288 K HA 0.091 4.411 4.320 0.000 0.000 0.195 288 K C 0.241 176.744 176.600 -0.161 0.000 1.035 288 K CA 0.068 56.288 56.287 -0.112 0.000 1.003 288 K CB 0.148 32.598 32.500 -0.083 0.000 0.793 288 K HN 0.041 nan 8.250 nan 0.000 0.494 289 L N 2.901 123.966 121.223 -0.264 0.000 2.426 289 L HA 0.052 4.393 4.340 0.000 0.000 0.271 289 L C -1.078 175.567 176.870 -0.375 0.000 1.169 289 L CA -1.242 53.336 54.840 -0.436 0.000 0.836 289 L CB 0.419 42.017 42.059 -0.767 0.000 1.112 289 L HN -0.003 nan 8.230 nan 0.000 0.465 290 P HA -0.067 nan 4.420 nan 0.000 0.239 290 P C -0.496 176.820 177.300 0.027 0.000 1.184 290 P CA 0.868 63.904 63.100 -0.107 0.000 0.760 290 P CB -0.067 31.643 31.700 0.016 0.000 0.884 291 F N -3.058 116.903 119.950 0.019 0.000 2.754 291 F HA 0.695 5.222 4.527 0.000 0.000 0.320 291 F C -0.434 175.382 175.800 0.026 0.000 1.156 291 F CA -1.898 56.130 58.000 0.047 0.000 0.950 291 F CB 0.404 39.432 39.000 0.048 0.000 1.388 291 F HN -0.422 nan 8.300 nan 0.000 0.485 292 S N 0.109 116.057 115.700 0.414 0.000 2.554 292 S HA 0.446 4.916 4.470 0.000 0.000 0.278 292 S C 0.889 175.620 174.600 0.218 0.000 1.242 292 S CA -0.264 58.077 58.200 0.234 0.000 1.051 292 S CB 1.282 64.757 63.200 0.458 0.000 0.986 292 S HN 1.049 nan 8.310 nan 0.000 0.502 293 V N 2.980 122.760 119.914 -0.222 0.000 2.970 293 V HA 0.081 4.201 4.120 0.000 0.000 0.260 293 V C 1.054 177.104 176.094 -0.073 0.000 1.100 293 V CA 1.206 63.388 62.300 -0.196 0.000 1.122 293 V CB -1.141 30.237 31.823 -0.742 0.000 0.721 293 V HN 0.804 nan 8.190 nan 0.000 0.483 294 F N 0.668 120.753 119.950 0.225 0.000 2.732 294 F HA 0.404 4.931 4.527 0.000 0.000 0.303 294 F C 0.785 176.838 175.800 0.421 0.000 1.110 294 F CA -1.141 57.019 58.000 0.266 0.000 1.355 294 F CB -0.519 38.608 39.000 0.211 0.000 1.081 294 F HN 0.198 nan 8.300 nan 0.000 0.565 295 D N 0.807 121.487 120.400 0.467 0.000 2.329 295 D HA 0.136 4.776 4.640 0.000 0.000 0.232 295 D C 1.127 177.451 176.300 0.041 0.000 1.088 295 D CA -0.049 54.059 54.000 0.181 0.000 0.835 295 D CB 1.139 41.944 40.800 0.008 0.000 1.078 295 D HN 0.132 nan 8.370 nan 0.000 0.495 296 L N 2.995 124.221 121.223 0.005 0.000 2.201 296 L HA -0.125 4.215 4.340 0.000 0.000 0.212 296 L C 1.876 178.644 176.870 -0.170 0.000 1.105 296 L CA 1.411 56.207 54.840 -0.075 0.000 0.775 296 L CB -0.081 41.967 42.059 -0.019 0.000 0.913 296 L HN 0.536 nan 8.230 nan 0.000 0.440 297 T N -3.356 111.080 114.554 -0.197 0.000 3.148 297 T HA 0.040 4.390 4.350 0.000 0.000 0.253 297 T C 0.609 175.200 174.700 -0.180 0.000 1.134 297 T CA -0.103 61.862 62.100 -0.225 0.000 1.051 297 T CB -0.029 68.692 68.868 -0.245 0.000 0.959 297 T HN -0.043 nan 8.240 nan 0.000 0.525 298 K N 2.098 122.358 120.400 -0.234 0.000 2.259 298 K HA 0.597 4.917 4.320 0.000 0.000 0.252 298 K C -0.283 176.159 176.600 -0.264 0.000 0.936 298 K CA -0.776 55.297 56.287 -0.357 0.000 0.810 298 K CB 2.470 34.524 32.500 -0.743 0.000 1.143 298 K HN 0.207 nan 8.250 nan 0.000 0.427 299 V N -1.364 118.442 119.914 -0.179 0.000 2.732 299 V HA 0.586 4.706 4.120 0.000 0.000 0.310 299 V C -0.736 175.502 176.094 0.241 0.000 1.053 299 V CA -1.047 61.230 62.300 -0.038 0.000 0.957 299 V CB 1.240 33.075 31.823 0.019 0.000 1.018 299 V HN 0.508 nan 8.190 nan 0.000 0.452 300 W N 1.869 123.243 121.300 0.124 0.000 2.316 300 W HA 0.586 5.246 4.660 0.000 0.000 0.311 300 W C -2.386 174.296 176.519 0.271 0.000 1.217 300 W CA -2.676 54.819 57.345 0.250 0.000 1.199 300 W CB -0.192 29.320 29.460 0.085 0.000 1.202 300 W HN 0.430 nan 8.180 nan 0.000 0.528 301 P HA 0.054 nan 4.420 nan 0.000 0.267 301 P C 0.444 177.938 177.300 0.325 0.000 1.205 301 P CA 0.190 63.502 63.100 0.354 0.000 0.765 301 P CB 0.721 32.591 31.700 0.283 0.000 0.828 302 Q N 1.665 121.578 119.800 0.188 0.000 2.435 302 Q HA -0.015 4.326 4.340 0.000 0.000 0.207 302 Q C 2.117 178.143 176.000 0.044 0.000 0.956 302 Q CA 0.877 56.749 55.803 0.116 0.000 0.917 302 Q CB -0.220 28.538 28.738 0.034 0.000 0.997 302 Q HN 0.687 nan 8.270 nan 0.000 0.497 303 G N 1.019 109.831 108.800 0.020 0.000 2.414 303 G HA2 -0.304 3.656 3.960 0.000 0.000 0.215 303 G HA3 -0.304 3.656 3.960 0.000 0.000 0.215 303 G C 1.255 176.087 174.900 -0.113 0.000 1.188 303 G CA 0.542 45.620 45.100 -0.036 0.000 0.783 303 G HN 0.265 nan 8.290 nan 0.000 0.537 304 Q N -1.028 118.646 119.800 -0.211 0.000 2.163 304 Q HA 0.109 4.449 4.340 0.000 0.000 0.198 304 Q C -0.075 175.507 176.000 -0.697 0.000 0.954 304 Q CA 0.379 55.867 55.803 -0.526 0.000 0.851 304 Q CB 0.124 28.383 28.738 -0.799 0.000 0.928 304 Q HN 0.413 nan 8.270 nan 0.000 0.459 305 F N 1.407 121.377 119.950 0.034 0.000 2.453 305 F HA 0.434 4.961 4.527 0.000 0.000 0.358 305 F C -2.246 173.593 175.800 0.064 0.000 1.129 305 F CA -2.911 55.127 58.000 0.063 0.000 1.200 305 F CB 1.014 40.094 39.000 0.133 0.000 1.431 305 F HN -0.013 nan 8.300 nan 0.000 0.503 306 P HA 0.153 nan 4.420 nan 0.000 0.274 306 P C -0.304 177.015 177.300 0.030 0.000 1.256 306 P CA -0.430 62.694 63.100 0.040 0.000 0.795 306 P CB 1.005 32.708 31.700 0.005 0.000 1.038 307 L N 1.241 122.420 121.223 -0.073 0.000 2.315 307 L HA 0.332 4.672 4.340 0.000 0.000 0.283 307 L C 1.121 178.031 176.870 0.067 0.000 1.089 307 L CA -0.230 54.550 54.840 -0.099 0.000 0.833 307 L CB 0.053 41.842 42.059 -0.450 0.000 1.170 307 L HN 0.356 nan 8.230 nan 0.000 0.442 308 R N 4.021 124.619 120.500 0.164 0.000 2.312 308 R HA 0.353 4.693 4.340 0.000 0.000 0.311 308 R C -0.247 176.227 176.300 0.290 0.000 1.004 308 R CA -0.721 55.491 56.100 0.185 0.000 0.902 308 R CB 1.140 31.502 30.300 0.103 0.000 1.073 308 R HN 0.555 nan 8.270 nan 0.000 0.457 309 R N 3.009 123.659 120.500 0.250 0.000 2.441 309 R HA 0.180 4.520 4.340 0.000 0.000 0.284 309 R C -0.028 176.283 176.300 0.018 0.000 1.070 309 R CA -0.320 55.819 56.100 0.065 0.000 1.047 309 R CB 1.128 31.439 30.300 0.019 0.000 1.016 309 R HN 0.572 nan 8.270 nan 0.000 0.477 310 V N 2.303 122.210 119.914 -0.012 0.000 2.840 310 V HA 0.453 4.573 4.120 0.000 0.000 0.234 310 V C 0.871 177.029 176.094 0.108 0.000 1.159 310 V CA 0.872 63.222 62.300 0.084 0.000 1.194 310 V CB 0.539 32.472 31.823 0.184 0.000 0.971 310 V HN 0.986 nan 8.190 nan 0.000 0.494 311 G N -0.166 108.686 108.800 0.086 0.000 2.450 311 G HA2 0.428 4.388 3.960 0.000 0.000 0.273 311 G HA3 0.428 4.388 3.960 0.000 0.000 0.273 311 G C -1.904 172.941 174.900 -0.091 0.000 1.221 311 G CA -0.627 44.407 45.100 -0.110 0.000 0.900 311 G HN 0.082 nan 8.290 nan 0.000 0.483 312 K N -0.308 119.936 120.400 -0.259 0.000 2.426 312 K HA 0.636 4.956 4.320 0.000 0.000 0.251 312 K C -1.333 175.314 176.600 0.079 0.000 0.941 312 K CA -0.722 55.555 56.287 -0.017 0.000 0.808 312 K CB 2.995 35.486 32.500 -0.015 0.000 1.265 312 K HN 0.361 nan 8.250 nan 0.000 0.432 313 I N 2.283 123.025 120.570 0.287 0.000 2.382 313 I HA 0.243 4.413 4.170 0.000 0.000 0.286 313 I C -0.698 175.551 176.117 0.219 0.000 1.002 313 I CA -1.089 60.395 61.300 0.307 0.000 1.135 313 I CB 1.864 40.131 38.000 0.445 0.000 1.288 313 I HN 0.142 nan 8.210 nan 0.000 0.448 314 V N 7.449 127.275 119.914 -0.145 0.000 2.459 314 V HA 0.431 4.551 4.120 0.000 0.000 0.295 314 V C -0.062 175.969 176.094 -0.105 0.000 1.029 314 V CA -0.602 61.600 62.300 -0.163 0.000 0.874 314 V CB 1.999 33.513 31.823 -0.515 0.000 0.985 314 V HN 0.475 nan 8.190 nan 0.000 0.438 315 L N 5.529 126.824 121.223 0.120 0.000 2.276 315 L HA 0.511 4.851 4.340 0.000 0.000 0.286 315 L C 0.344 177.210 176.870 -0.007 0.000 1.024 315 L CA -0.327 54.574 54.840 0.102 0.000 0.826 315 L CB 1.232 43.442 42.059 0.252 0.000 1.211 315 L HN 0.866 nan 8.230 nan 0.000 0.422 316 N N 1.603 120.198 118.700 -0.174 0.000 2.194 316 N HA 0.085 4.826 4.740 0.000 0.000 0.231 316 N C -0.308 175.010 175.510 -0.319 0.000 1.247 316 N CA -0.308 52.363 53.050 -0.632 0.000 0.884 316 N CB 0.846 38.772 38.487 -0.935 0.000 1.146 316 N HN 0.593 nan 8.380 nan 0.000 0.516 317 E N 0.468 120.646 120.200 -0.036 0.000 2.287 317 E HA 0.274 4.624 4.350 0.000 0.000 0.274 317 E C -1.302 175.390 176.600 0.153 0.000 0.896 317 E CA -0.559 55.878 56.400 0.061 0.000 0.788 317 E CB 1.107 30.867 29.700 0.101 0.000 1.244 317 E HN 0.028 nan 8.360 nan 0.000 0.408 318 N N 3.856 122.605 118.700 0.082 0.000 2.525 318 N HA 0.279 5.019 4.740 0.000 0.000 0.271 318 N C -2.443 173.244 175.510 0.296 0.000 1.194 318 N CA -1.214 51.907 53.050 0.119 0.000 0.964 318 N CB 0.790 39.190 38.487 -0.145 0.000 1.126 318 N HN 0.324 nan 8.380 nan 0.000 0.452 319 P HA 0.083 nan 4.420 nan 0.000 0.267 319 P C 0.796 178.296 177.300 0.333 0.000 1.200 319 P CA -0.072 63.277 63.100 0.415 0.000 0.772 319 P CB 0.800 32.683 31.700 0.305 0.000 0.855 320 L N 0.961 122.337 121.223 0.254 0.000 2.209 320 L HA 0.033 4.373 4.340 0.000 0.000 0.207 320 L C 0.859 177.853 176.870 0.206 0.000 1.094 320 L CA 1.128 56.087 54.840 0.198 0.000 0.790 320 L CB -0.302 41.830 42.059 0.120 0.000 0.932 320 L HN 0.457 nan 8.230 nan 0.000 0.447 321 N N -1.543 117.287 118.700 0.216 0.000 2.500 321 N HA 0.116 4.856 4.740 0.000 0.000 0.291 321 N C 0.215 175.878 175.510 0.254 0.000 1.092 321 N CA -0.475 52.711 53.050 0.228 0.000 0.890 321 N CB 0.967 39.567 38.487 0.189 0.000 1.466 321 N HN -0.030 nan 8.380 nan 0.000 0.507 322 F N 3.654 123.695 119.950 0.151 0.000 2.095 322 F HA -0.097 4.430 4.527 0.000 0.000 0.298 322 F C 1.445 177.317 175.800 0.121 0.000 1.104 322 F CA 1.574 59.649 58.000 0.126 0.000 1.232 322 F CB -0.148 38.919 39.000 0.112 0.000 0.987 322 F HN 0.634 nan 8.300 nan 0.000 0.475 323 F N 0.714 120.784 119.950 0.200 0.000 2.075 323 F HA -0.120 4.407 4.527 0.000 0.000 0.297 323 F C 2.337 178.128 175.800 -0.015 0.000 1.113 323 F CA 1.834 59.888 58.000 0.091 0.000 1.218 323 F CB -0.962 38.115 39.000 0.128 0.000 0.984 323 F HN -0.022 nan 8.300 nan 0.000 0.472 324 A N -0.554 122.351 122.820 0.143 0.000 1.969 324 A HA -0.169 4.151 4.320 0.000 0.000 0.218 324 A C 2.054 179.589 177.584 -0.082 0.000 1.169 324 A CA 1.829 53.891 52.037 0.042 0.000 0.635 324 A CB -0.561 18.534 19.000 0.157 0.000 0.810 324 A HN 0.641 nan 8.150 nan 0.000 0.445 325 Q N -1.562 118.197 119.800 -0.069 0.000 2.396 325 Q HA 0.140 4.480 4.340 0.000 0.000 0.220 325 Q C 1.680 177.547 176.000 -0.223 0.000 0.900 325 Q CA 0.869 56.643 55.803 -0.048 0.000 0.925 325 Q CB 0.504 29.333 28.738 0.152 0.000 1.065 325 Q HN 0.467 nan 8.270 nan 0.000 0.535 326 V N -0.220 119.444 119.914 -0.418 0.000 2.743 326 V HA -0.052 4.068 4.120 0.000 0.000 0.237 326 V C 1.776 177.540 176.094 -0.549 0.000 1.113 326 V CA 1.086 63.048 62.300 -0.563 0.000 1.141 326 V CB 0.109 31.355 31.823 -0.962 0.000 0.873 326 V HN 0.117 nan 8.190 nan 0.000 0.486 327 E N 0.815 120.606 120.200 -0.682 0.000 2.106 327 E HA -0.188 4.162 4.350 0.000 0.000 0.192 327 E C 2.101 178.416 176.600 -0.475 0.000 0.984 327 E CA 1.420 57.524 56.400 -0.493 0.000 0.806 327 E CB -0.131 29.303 29.700 -0.442 0.000 0.750 327 E HN 0.593 nan 8.360 nan 0.000 0.458 328 Q N -0.335 119.133 119.800 -0.555 0.000 2.444 328 Q HA 0.232 4.572 4.340 0.000 0.000 0.206 328 Q C -0.146 175.668 176.000 -0.310 0.000 0.948 328 Q CA 0.216 55.766 55.803 -0.422 0.000 0.946 328 Q CB 0.476 28.975 28.738 -0.399 0.000 1.027 328 Q HN 0.192 nan 8.270 nan 0.000 0.513 329 A N 1.043 123.671 122.820 -0.321 0.000 2.440 329 A HA 0.496 4.816 4.320 0.000 0.000 0.251 329 A C -0.221 177.078 177.584 -0.473 0.000 1.089 329 A CA 0.037 51.833 52.037 -0.402 0.000 0.779 329 A CB 0.323 19.093 19.000 -0.383 0.000 1.022 329 A HN 0.255 nan 8.150 nan 0.000 0.492 330 A N 2.431 124.848 122.820 -0.673 0.000 2.304 330 A HA 0.731 5.051 4.320 0.000 0.000 0.314 330 A C -0.939 176.200 177.584 -0.741 0.000 1.187 330 A CA -0.372 51.167 52.037 -0.829 0.000 0.810 330 A CB 0.295 18.674 19.000 -1.035 0.000 1.183 330 A HN 0.656 nan 8.150 nan 0.000 0.487 331 F N 1.548 121.426 119.950 -0.118 0.000 2.482 331 F HA 0.729 5.256 4.527 0.000 0.000 0.331 331 F C 0.494 176.423 175.800 0.215 0.000 1.115 331 F CA -0.273 57.733 58.000 0.009 0.000 0.955 331 F CB 2.540 41.505 39.000 -0.058 0.000 1.136 331 F HN 0.734 nan 8.300 nan 0.000 0.452 332 A N 3.937 126.886 122.820 0.216 0.000 2.459 332 A HA 0.653 4.973 4.320 0.000 0.000 0.296 332 A C -2.504 175.012 177.584 -0.114 0.000 1.039 332 A CA -1.577 50.464 52.037 0.007 0.000 0.698 332 A CB 1.681 20.767 19.000 0.144 0.000 1.261 332 A HN 0.470 nan 8.150 nan 0.000 0.405 333 P HA -0.141 nan 4.420 nan 0.000 0.221 333 P C 1.438 178.752 177.300 0.024 0.000 1.145 333 P CA 1.988 65.039 63.100 -0.082 0.000 0.795 333 P CB 0.221 31.824 31.700 -0.163 0.000 0.775 334 S N -2.943 112.752 115.700 -0.010 0.000 2.522 334 S HA -0.002 4.468 4.470 0.000 0.000 0.227 334 S C 0.939 175.566 174.600 0.044 0.000 0.986 334 S CA 0.504 58.722 58.200 0.031 0.000 0.929 334 S CB -1.331 61.884 63.200 0.025 0.000 0.769 334 S HN 0.022 nan 8.310 nan 0.000 0.529 335 T N 2.904 117.484 114.554 0.043 0.000 2.863 335 T HA 0.464 4.814 4.350 0.000 0.000 0.299 335 T C -0.289 174.431 174.700 0.033 0.000 0.973 335 T CA 0.013 62.131 62.100 0.031 0.000 0.994 335 T CB 0.479 69.360 68.868 0.021 0.000 0.961 335 T HN 0.358 nan 8.240 nan 0.000 0.552 336 T N 2.200 116.773 114.554 0.031 0.000 2.903 336 T HA 0.620 4.970 4.350 0.000 0.000 0.299 336 T C -0.182 174.514 174.700 -0.007 0.000 1.093 336 T CA -0.707 61.416 62.100 0.038 0.000 1.002 336 T CB 1.166 70.098 68.868 0.106 0.000 1.127 336 T HN 0.385 nan 8.240 nan 0.000 0.488 337 V N 2.164 122.051 119.914 -0.045 0.000 2.997 337 V HA 0.769 4.890 4.120 0.000 0.000 0.311 337 V C -2.379 173.687 176.094 -0.046 0.000 1.066 337 V CA -2.354 59.905 62.300 -0.068 0.000 1.039 337 V CB 0.340 32.083 31.823 -0.135 0.000 1.081 337 V HN 0.762 nan 8.190 nan 0.000 0.467 338 P HA 0.012 nan 4.420 nan 0.000 0.264 338 P C -0.692 176.581 177.300 -0.046 0.000 1.179 338 P CA 0.924 63.923 63.100 -0.168 0.000 0.763 338 P CB -0.199 31.350 31.700 -0.252 0.000 0.806 339 Y N -1.636 118.685 120.300 0.035 0.000 4.936 339 Y HA -0.233 4.317 4.550 0.000 0.000 0.260 339 Y C 0.483 176.436 175.900 0.088 0.000 0.928 339 Y CA 0.991 59.139 58.100 0.080 0.000 1.869 339 Y CB -2.369 36.129 38.460 0.063 0.000 1.344 339 Y HN 0.454 nan 8.280 nan 0.000 0.521 340 Q N 0.787 120.670 119.800 0.139 0.000 2.309 340 Q HA 0.512 4.852 4.340 0.000 0.000 0.270 340 Q C -0.312 175.851 176.000 0.273 0.000 1.023 340 Q CA -0.653 55.252 55.803 0.169 0.000 0.758 340 Q CB 2.420 31.138 28.738 -0.034 0.000 1.247 340 Q HN 0.096 nan 8.270 nan 0.000 0.455 341 E N 0.774 121.216 120.200 0.404 0.000 2.410 341 E HA 0.665 5.015 4.350 0.000 0.000 0.269 341 E C -1.114 175.716 176.600 0.384 0.000 0.937 341 E CA -0.772 55.816 56.400 0.314 0.000 0.793 341 E CB 2.106 31.928 29.700 0.204 0.000 1.314 341 E HN 0.641 nan 8.360 nan 0.000 0.447 342 A N 0.801 123.744 122.820 0.205 0.000 2.302 342 A HA 0.516 4.836 4.320 0.000 0.000 0.285 342 A C 0.430 178.029 177.584 0.025 0.000 1.105 342 A CA -0.196 51.854 52.037 0.022 0.000 0.816 342 A CB 0.407 19.356 19.000 -0.086 0.000 1.067 342 A HN 0.569 nan 8.150 nan 0.000 0.489 343 S N 0.329 116.016 115.700 -0.022 0.000 2.713 343 S HA 0.562 5.032 4.470 0.000 0.000 0.277 343 S C 0.783 175.342 174.600 -0.069 0.000 1.168 343 S CA -0.026 58.257 58.200 0.138 0.000 0.994 343 S CB 1.156 64.593 63.200 0.395 0.000 1.054 343 S HN 1.684 nan 8.310 nan 0.000 0.555 344 A N 0.072 122.729 122.820 -0.272 0.000 2.291 344 A HA 0.173 4.493 4.320 0.000 0.000 0.220 344 A C 0.611 177.871 177.584 -0.541 0.000 1.262 344 A CA -0.074 51.574 52.037 -0.648 0.000 0.867 344 A CB -1.083 17.210 19.000 -1.179 0.000 0.888 344 A HN 0.812 nan 8.150 nan 0.000 0.487 345 D N 0.698 121.018 120.400 -0.134 0.000 2.434 345 D HA 0.063 4.703 4.640 0.000 0.000 0.252 345 D C -1.627 174.669 176.300 -0.006 0.000 1.185 345 D CA -1.497 52.566 54.000 0.104 0.000 0.886 345 D CB 1.122 42.029 40.800 0.178 0.000 1.148 345 D HN 0.088 nan 8.370 nan 0.000 0.483 346 P HA -0.123 nan 4.420 nan 0.000 0.218 346 P C 1.530 178.859 177.300 0.049 0.000 1.149 346 P CA 0.377 63.503 63.100 0.043 0.000 0.817 346 P CB 0.359 32.150 31.700 0.152 0.000 0.785 347 V N -0.418 119.559 119.914 0.105 0.000 2.323 347 V HA -0.173 3.947 4.120 0.000 0.000 0.244 347 V C 2.336 178.382 176.094 -0.078 0.000 1.041 347 V CA 1.360 63.714 62.300 0.090 0.000 1.025 347 V CB -1.218 30.747 31.823 0.237 0.000 0.656 347 V HN 0.050 nan 8.190 nan 0.000 0.451 348 L N 0.104 121.130 121.223 -0.328 0.000 2.083 348 L HA -0.153 4.187 4.340 0.000 0.000 0.209 348 L C 2.479 179.176 176.870 -0.287 0.000 1.083 348 L CA 1.858 56.333 54.840 -0.608 0.000 0.752 348 L CB -0.873 40.630 42.059 -0.927 0.000 0.899 348 L HN 0.284 nan 8.230 nan 0.000 0.433 349 Q N -0.245 119.437 119.800 -0.196 0.000 2.061 349 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 349 Q C 2.274 178.238 176.000 -0.059 0.000 0.984 349 Q CA 1.874 57.599 55.803 -0.131 0.000 0.846 349 Q CB -0.573 28.079 28.738 -0.143 0.000 0.902 349 Q HN 0.680 nan 8.270 nan 0.000 0.421 350 A N 1.083 123.884 122.820 -0.031 0.000 1.969 350 A HA -0.158 4.162 4.320 0.000 0.000 0.218 350 A C 2.081 179.714 177.584 0.082 0.000 1.169 350 A CA 1.057 53.117 52.037 0.038 0.000 0.635 350 A CB -0.366 18.657 19.000 0.037 0.000 0.810 350 A HN 0.247 nan 8.150 nan 0.000 0.445 351 R N -1.066 119.444 120.500 0.016 0.000 2.189 351 R HA -0.019 4.321 4.340 0.000 0.000 0.223 351 R C 1.506 177.842 176.300 0.059 0.000 1.092 351 R CA 0.730 56.881 56.100 0.084 0.000 0.989 351 R CB -0.343 29.947 30.300 -0.017 0.000 0.876 351 R HN 0.349 nan 8.270 nan 0.000 0.457 352 L N -0.348 120.882 121.223 0.011 0.000 2.265 352 L HA -0.127 4.213 4.340 0.000 0.000 0.215 352 L C 1.723 178.648 176.870 0.092 0.000 1.117 352 L CA 1.497 56.351 54.840 0.022 0.000 0.782 352 L CB -0.528 41.535 42.059 0.007 0.000 0.914 352 L HN 0.101 nan 8.230 nan 0.000 0.441 353 F N -1.078 118.868 119.950 -0.008 0.000 2.243 353 F HA -0.013 4.514 4.527 0.000 0.000 0.287 353 F C 2.492 178.289 175.800 -0.005 0.000 1.067 353 F CA 1.101 59.095 58.000 -0.009 0.000 1.304 353 F CB -0.460 38.526 39.000 -0.023 0.000 1.087 353 F HN -0.092 nan 8.300 nan 0.000 0.513 354 S N -0.013 115.563 115.700 -0.206 0.000 2.387 354 S HA -0.225 4.245 4.470 0.000 0.000 0.230 354 S C 1.802 176.139 174.600 -0.438 0.000 1.035 354 S CA 1.820 59.788 58.200 -0.388 0.000 1.014 354 S CB -0.670 62.435 63.200 -0.157 0.000 0.836 354 S HN 0.487 nan 8.310 nan 0.000 0.466 355 Y N 1.274 121.317 120.300 -0.428 0.000 2.153 355 Y HA 0.075 4.625 4.550 0.000 0.000 0.289 355 Y C 2.674 177.975 175.900 -0.998 0.000 1.127 355 Y CA 0.452 58.213 58.100 -0.565 0.000 1.131 355 Y CB -1.072 37.185 38.460 -0.338 0.000 0.995 355 Y HN 0.241 nan 8.280 nan 0.000 0.505 356 A N -0.150 122.370 122.820 -0.499 0.000 1.972 356 A HA -0.253 4.067 4.320 0.000 0.000 0.219 356 A C 1.844 179.159 177.584 -0.447 0.000 1.169 356 A CA 2.088 53.868 52.037 -0.428 0.000 0.635 356 A CB -0.940 18.012 19.000 -0.081 0.000 0.810 356 A HN 0.513 nan 8.150 nan 0.000 0.446 357 D N -0.347 119.745 120.400 -0.513 0.000 2.117 357 D HA 0.005 4.645 4.640 0.000 0.000 0.198 357 D C 2.002 178.105 176.300 -0.329 0.000 0.982 357 D CA 1.483 55.210 54.000 -0.455 0.000 0.828 357 D CB -0.186 40.101 40.800 -0.854 0.000 0.967 357 D HN 0.324 nan 8.370 nan 0.000 0.464 358 A N -0.661 121.912 122.820 -0.412 0.000 1.972 358 A HA -0.174 4.146 4.320 0.000 0.000 0.219 358 A C 1.909 179.402 177.584 -0.152 0.000 1.169 358 A CA 1.617 53.509 52.037 -0.241 0.000 0.635 358 A CB -1.035 17.788 19.000 -0.295 0.000 0.810 358 A HN 0.505 nan 8.150 nan 0.000 0.446 359 H N -0.932 117.920 119.070 -0.363 0.000 2.389 359 H HA -0.040 4.516 4.556 0.000 0.000 0.299 359 H C 2.398 177.442 175.328 -0.473 0.000 1.081 359 H CA 1.120 56.801 56.048 -0.612 0.000 1.345 359 H CB 0.005 28.939 29.762 -1.379 0.000 1.393 359 H HN 0.407 nan 8.280 nan 0.000 0.520 360 R N -0.059 120.330 120.500 -0.185 0.000 2.096 360 R HA -0.168 4.172 4.340 0.000 0.000 0.235 360 R C 1.953 178.316 176.300 0.106 0.000 1.127 360 R CA 1.457 57.602 56.100 0.074 0.000 0.968 360 R CB -0.246 30.122 30.300 0.113 0.000 0.861 360 R HN 0.379 nan 8.270 nan 0.000 0.440 361 Y N 1.205 121.477 120.300 -0.047 0.000 2.153 361 Y HA -0.104 4.446 4.550 0.000 0.000 0.289 361 Y C 2.491 178.383 175.900 -0.013 0.000 1.119 361 Y CA 1.322 59.407 58.100 -0.024 0.000 1.116 361 Y CB -0.160 38.275 38.460 -0.041 0.000 1.004 361 Y HN -0.198 nan 8.280 nan 0.000 0.501 362 R N -0.218 120.208 120.500 -0.123 0.000 2.092 362 R HA -0.081 4.259 4.340 0.000 0.000 0.231 362 R C 1.687 177.894 176.300 -0.155 0.000 1.119 362 R CA 1.941 57.922 56.100 -0.198 0.000 0.970 362 R CB -0.178 30.113 30.300 -0.015 0.000 0.864 362 R HN 0.484 nan 8.270 nan 0.000 0.440 363 L N -1.722 119.447 121.223 -0.089 0.000 2.467 363 L HA 0.382 4.722 4.340 0.000 0.000 0.213 363 L C 0.690 177.573 176.870 0.021 0.000 1.053 363 L CA 0.262 55.081 54.840 -0.036 0.000 0.847 363 L CB 0.901 42.949 42.059 -0.018 0.000 1.075 363 L HN 0.403 nan 8.230 nan 0.000 0.479 364 G N -0.894 107.946 108.800 0.066 0.000 2.334 364 G HA2 -0.038 3.922 3.960 0.000 0.000 0.566 364 G HA3 -0.038 3.922 3.960 0.000 0.000 0.566 364 G C -2.683 172.356 174.900 0.232 0.000 1.413 364 G CA -0.779 44.382 45.100 0.102 0.000 0.993 364 G HN -0.256 nan 8.290 nan 0.000 0.642 365 P HA -0.062 nan 4.420 nan 0.000 0.217 365 P C 0.995 178.408 177.300 0.188 0.000 1.148 365 P CA 1.205 64.428 63.100 0.206 0.000 0.828 365 P CB 0.151 31.924 31.700 0.122 0.000 0.783 366 N N -0.917 117.821 118.700 0.064 0.000 2.380 366 N HA 0.093 4.833 4.740 0.000 0.000 0.255 366 N C 0.808 176.137 175.510 -0.302 0.000 1.158 366 N CA -0.228 52.703 53.050 -0.199 0.000 0.878 366 N CB -0.375 37.987 38.487 -0.208 0.000 1.138 366 N HN 0.220 nan 8.380 nan 0.000 0.509 367 F N 1.169 121.089 119.950 -0.049 0.000 2.192 367 F HA -0.190 4.337 4.527 0.000 0.000 0.301 367 F C 2.211 177.947 175.800 -0.107 0.000 1.079 367 F CA 1.137 59.092 58.000 -0.075 0.000 1.303 367 F CB -0.838 38.140 39.000 -0.037 0.000 1.024 367 F HN 0.189 nan 8.300 nan 0.000 0.494 368 H N 0.225 118.752 119.070 -0.905 0.000 2.545 368 H HA 0.018 4.574 4.556 0.000 0.000 0.282 368 H C 1.138 176.276 175.328 -0.317 0.000 1.020 368 H CA 1.207 56.873 56.048 -0.638 0.000 1.243 368 H CB -0.878 28.356 29.762 -0.881 0.000 1.377 368 H HN 0.540 nan 8.280 nan 0.000 0.581 369 Q N 0.682 120.133 119.800 -0.582 0.000 2.424 369 Q HA 0.232 4.572 4.340 0.000 0.000 0.204 369 Q C 0.491 176.395 176.000 -0.159 0.000 0.933 369 Q CA -0.190 55.412 55.803 -0.335 0.000 0.929 369 Q CB 0.687 29.205 28.738 -0.367 0.000 1.037 369 Q HN 0.444 nan 8.270 nan 0.000 0.511 370 I N 2.593 123.087 120.570 -0.126 0.000 2.598 370 I HA -0.053 4.117 4.170 0.000 0.000 0.284 370 I C -1.568 174.526 176.117 -0.040 0.000 1.140 370 I CA -1.394 59.869 61.300 -0.062 0.000 1.420 370 I CB 0.589 38.560 38.000 -0.049 0.000 1.387 370 I HN -0.104 nan 8.210 nan 0.000 0.553 371 P HA -0.242 nan 4.420 nan 0.000 0.217 371 P C 1.620 178.934 177.300 0.023 0.000 1.158 371 P CA 1.431 64.522 63.100 -0.015 0.000 0.887 371 P CB 0.011 31.693 31.700 -0.030 0.000 0.792 372 V N -3.287 116.653 119.914 0.043 0.000 2.759 372 V HA -0.099 4.021 4.120 0.000 0.000 0.256 372 V C 1.514 177.682 176.094 0.124 0.000 1.080 372 V CA 1.896 64.273 62.300 0.127 0.000 1.101 372 V CB -1.326 30.545 31.823 0.081 0.000 0.698 372 V HN 0.068 nan 8.190 nan 0.000 0.477 373 N N -0.431 118.283 118.700 0.024 0.000 2.353 373 N HA 0.106 4.846 4.740 0.000 0.000 0.185 373 N C 0.679 176.224 175.510 0.059 0.000 1.098 373 N CA 0.589 53.637 53.050 -0.004 0.000 0.872 373 N CB -0.004 38.467 38.487 -0.028 0.000 0.970 373 N HN 0.584 nan 8.380 nan 0.000 0.467 374 C N 4.437 123.794 119.300 0.095 0.000 2.632 374 C HA 0.178 4.638 4.460 0.000 0.000 0.415 374 C C -1.789 173.323 174.990 0.202 0.000 1.332 374 C CA -1.391 57.693 59.018 0.111 0.000 1.874 374 C CB 0.028 27.817 27.740 0.082 0.000 2.596 374 C HN 0.244 nan 8.230 nan 0.000 0.590 375 P HA 0.051 nan 4.420 nan 0.000 0.249 375 P C -0.009 177.368 177.300 0.127 0.000 1.737 375 P CA 0.240 63.428 63.100 0.147 0.000 1.128 375 P CB -0.489 31.273 31.700 0.104 0.000 1.942 376 Y N 1.736 122.084 120.300 0.081 0.000 2.352 376 Y HA 0.086 4.636 4.550 0.000 0.000 0.292 376 Y C 1.906 177.813 175.900 0.012 0.000 1.136 376 Y CA 1.039 59.137 58.100 -0.002 0.000 1.227 376 Y CB -1.236 37.150 38.460 -0.124 0.000 0.991 376 Y HN 0.217 nan 8.280 nan 0.000 0.545 377 A N -0.365 122.232 122.820 -0.372 0.000 2.251 377 A HA 0.296 4.616 4.320 0.000 0.000 0.209 377 A C 1.009 178.548 177.584 -0.076 0.000 1.187 377 A CA 0.593 52.495 52.037 -0.225 0.000 0.823 377 A CB -0.380 18.396 19.000 -0.374 0.000 0.846 377 A HN 0.321 nan 8.150 nan 0.000 0.486 378 S N -0.006 115.678 115.700 -0.028 0.000 2.479 378 S HA 0.257 4.727 4.470 0.000 0.000 0.169 378 S C -0.788 173.856 174.600 0.073 0.000 1.181 378 S CA -0.660 57.548 58.200 0.013 0.000 1.169 378 S CB -0.181 63.015 63.200 -0.006 0.000 1.384 378 S HN 0.383 nan 8.310 nan 0.000 0.412 379 K N 2.095 122.552 120.400 0.095 0.000 2.524 379 K HA 0.065 4.385 4.320 0.000 0.000 0.279 379 K C 0.062 176.805 176.600 0.238 0.000 0.993 379 K CA 0.098 56.482 56.287 0.162 0.000 1.030 379 K CB 0.174 32.749 32.500 0.124 0.000 0.891 379 K HN 0.551 nan 8.250 nan 0.000 0.488 380 F N 5.356 125.411 119.950 0.175 0.000 2.541 380 F HA 0.185 4.712 4.527 0.000 0.000 0.378 380 F C -0.844 175.195 175.800 0.399 0.000 1.068 380 F CA -0.403 57.735 58.000 0.230 0.000 1.199 380 F CB -0.059 39.086 39.000 0.243 0.000 1.091 380 F HN 0.329 nan 8.300 nan 0.000 0.555 381 F N 8.226 127.997 119.950 -0.298 0.000 2.653 381 F HA 0.411 4.938 4.527 0.000 0.000 0.327 381 F C -1.864 173.608 175.800 -0.545 0.000 1.195 381 F CA -0.986 56.597 58.000 -0.694 0.000 0.993 381 F CB 0.816 39.519 39.000 -0.495 0.000 1.259 381 F HN 0.574 nan 8.300 nan 0.000 0.478 382 N N 7.699 125.648 118.700 -1.251 0.000 2.542 382 N HA 0.352 5.092 4.740 0.000 0.000 0.288 382 N C -2.651 172.436 175.510 -0.706 0.000 1.115 382 N CA -1.608 50.943 53.050 -0.832 0.000 0.924 382 N CB 3.085 41.486 38.487 -0.144 0.000 1.526 382 N HN 0.202 nan 8.380 nan 0.000 0.515 383 P HA -0.016 nan 4.420 nan 0.000 0.218 383 P C 0.606 177.866 177.300 -0.068 0.000 1.148 383 P CA 1.149 64.045 63.100 -0.340 0.000 0.822 383 P CB 0.411 31.906 31.700 -0.342 0.000 0.784 384 A N -1.585 121.197 122.820 -0.064 0.000 2.308 384 A HA 0.171 4.491 4.320 0.000 0.000 0.217 384 A C 0.979 178.622 177.584 0.097 0.000 1.216 384 A CA -0.003 52.053 52.037 0.033 0.000 0.864 384 A CB -0.535 18.468 19.000 0.006 0.000 0.902 384 A HN 0.099 nan 8.150 nan 0.000 0.499 385 I N 2.315 122.985 120.570 0.166 0.000 2.276 385 I HA 0.289 4.459 4.170 0.000 0.000 0.290 385 I C -0.285 176.034 176.117 0.338 0.000 1.109 385 I CA -0.366 61.088 61.300 0.257 0.000 1.229 385 I CB 0.131 38.349 38.000 0.363 0.000 1.452 385 I HN 0.156 nan 8.210 nan 0.000 0.497 386 R N 3.761 124.390 120.500 0.215 0.000 2.888 386 R HA 0.552 4.892 4.340 0.000 0.000 0.264 386 R C -0.312 176.057 176.300 0.114 0.000 1.045 386 R CA -0.954 55.251 56.100 0.174 0.000 0.962 386 R CB 0.985 31.380 30.300 0.158 0.000 1.210 386 R HN 0.462 nan 8.270 nan 0.000 0.479 387 D N -0.192 120.254 120.400 0.076 0.000 3.369 387 D HA -0.189 4.451 4.640 0.000 0.000 0.217 387 D C 0.351 176.679 176.300 0.047 0.000 1.532 387 D CA 2.130 56.160 54.000 0.051 0.000 1.126 387 D CB -1.062 39.771 40.800 0.054 0.000 0.683 387 D HN 0.906 nan 8.370 nan 0.000 0.827 388 G N -0.903 107.923 108.800 0.043 0.000 2.705 388 G HA2 0.134 4.094 3.960 0.000 0.000 0.686 388 G HA3 0.134 4.094 3.960 0.000 0.000 0.686 388 G C -2.721 172.194 174.900 0.025 0.000 1.285 388 G CA -0.321 44.804 45.100 0.043 0.000 0.800 388 G HN 0.558 nan 8.290 nan 0.000 0.611 389 P HA 0.266 nan 4.420 nan 0.000 0.266 389 P C 0.771 178.072 177.300 0.001 0.000 1.195 389 P CA 0.346 63.455 63.100 0.015 0.000 0.768 389 P CB 0.514 32.226 31.700 0.020 0.000 0.838 390 M N -0.782 118.815 119.600 -0.006 0.000 2.298 390 M HA -0.192 4.288 4.480 0.000 0.000 0.196 390 M C -0.029 176.245 176.300 -0.044 0.000 0.531 390 M CA 0.429 55.718 55.300 -0.018 0.000 0.459 390 M CB -2.698 29.895 32.600 -0.012 0.000 1.279 390 M HN 0.500 nan 8.290 nan 0.000 0.915 391 N N 1.569 120.244 118.700 -0.042 0.000 2.482 391 N HA 0.367 5.107 4.740 0.000 0.000 0.242 391 N C 0.892 176.363 175.510 -0.066 0.000 1.100 391 N CA 0.186 53.196 53.050 -0.067 0.000 0.946 391 N CB 0.804 39.262 38.487 -0.048 0.000 1.227 391 N HN 0.397 nan 8.380 nan 0.000 0.508 392 V N 1.155 121.022 119.914 -0.079 0.000 3.660 392 V HA 0.163 4.283 4.120 0.000 0.000 0.276 392 V C 1.231 177.284 176.094 -0.068 0.000 1.317 392 V CA 0.228 62.491 62.300 -0.062 0.000 1.097 392 V CB -0.339 31.454 31.823 -0.051 0.000 0.863 392 V HN 0.536 nan 8.190 nan 0.000 0.438 393 N N 1.206 119.850 118.700 -0.093 0.000 2.322 393 N HA 0.308 5.049 4.740 0.000 0.000 0.194 393 N C 1.344 176.793 175.510 -0.101 0.000 1.126 393 N CA 0.731 53.729 53.050 -0.087 0.000 0.845 393 N CB 0.607 39.043 38.487 -0.085 0.000 0.976 393 N HN 0.771 nan 8.380 nan 0.000 0.475 394 G N 0.829 109.570 108.800 -0.098 0.000 2.213 394 G HA2 -0.337 3.624 3.960 0.000 0.000 0.226 394 G HA3 -0.337 3.624 3.960 0.000 0.000 0.226 394 G C 0.302 175.139 174.900 -0.105 0.000 0.992 394 G CA -0.028 45.026 45.100 -0.076 0.000 0.632 394 G HN 0.550 nan 8.290 nan 0.000 0.511 395 N N -0.974 117.594 118.700 -0.220 0.000 2.721 395 N HA -0.213 4.528 4.740 0.000 0.000 0.249 395 N C 0.738 176.150 175.510 -0.164 0.000 1.072 395 N CA 1.707 54.600 53.050 -0.262 0.000 0.710 395 N CB -1.615 36.822 38.487 -0.084 0.000 0.993 395 N HN 1.375 nan 8.380 nan 0.000 0.547 396 F N -3.272 116.701 119.950 0.038 0.000 3.048 396 F HA -0.216 4.311 4.527 0.000 0.000 0.287 396 F C 1.855 177.677 175.800 0.037 0.000 0.796 396 F CA 1.985 60.010 58.000 0.042 0.000 1.111 396 F CB -1.830 37.227 39.000 0.094 0.000 1.320 396 F HN 0.661 nan 8.300 nan 0.000 0.430 397 G N 0.426 109.308 108.800 0.137 0.000 2.611 397 G HA2 -0.346 3.614 3.960 0.000 0.000 0.301 397 G HA3 -0.346 3.614 3.960 0.000 0.000 0.301 397 G C 0.917 175.882 174.900 0.107 0.000 1.233 397 G CA 1.519 46.675 45.100 0.093 0.000 0.993 397 G HN 1.483 nan 8.290 nan 0.000 0.553 398 S N 0.796 116.548 115.700 0.087 0.000 2.650 398 S HA 0.265 4.735 4.470 0.000 0.000 0.219 398 S C 0.645 175.307 174.600 0.103 0.000 0.960 398 S CA 1.012 59.262 58.200 0.084 0.000 0.925 398 S CB 0.189 63.423 63.200 0.056 0.000 0.775 398 S HN 0.618 nan 8.310 nan 0.000 0.525 399 E N 3.428 123.709 120.200 0.135 0.000 2.529 399 E HA 0.118 4.468 4.350 0.000 0.000 0.259 399 E C -2.290 174.404 176.600 0.158 0.000 0.966 399 E CA -1.242 55.248 56.400 0.150 0.000 0.937 399 E CB -0.076 29.755 29.700 0.219 0.000 0.923 399 E HN 0.279 nan 8.360 nan 0.000 0.468 400 P HA -0.068 nan 4.420 nan 0.000 0.264 400 P C 0.470 177.875 177.300 0.174 0.000 1.179 400 P CA 0.533 63.730 63.100 0.161 0.000 0.763 400 P CB 0.345 32.060 31.700 0.025 0.000 0.806 401 T N -0.293 114.426 114.554 0.274 0.000 3.324 401 T HA 0.225 4.575 4.350 0.000 0.000 0.250 401 T C 0.084 174.942 174.700 0.263 0.000 1.059 401 T CA 0.036 62.268 62.100 0.221 0.000 0.951 401 T CB -1.107 67.869 68.868 0.180 0.000 1.030 401 T HN 0.476 nan 8.240 nan 0.000 0.576 402 Y N -1.721 118.568 120.300 -0.017 0.000 2.871 402 Y HA 0.575 5.125 4.550 0.000 0.000 0.331 402 Y C -1.654 174.166 175.900 -0.134 0.000 1.378 402 Y CA -2.579 55.478 58.100 -0.072 0.000 1.079 402 Y CB 0.584 39.026 38.460 -0.031 0.000 1.441 402 Y HN -0.119 nan 8.280 nan 0.000 0.446 403 L N 2.900 123.861 121.223 -0.436 0.000 2.387 403 L HA 0.626 4.966 4.340 0.000 0.000 0.267 403 L C 0.395 176.975 176.870 -0.484 0.000 1.197 403 L CA -0.562 53.891 54.840 -0.646 0.000 1.070 403 L CB -0.154 41.624 42.059 -0.468 0.000 1.349 403 L HN 0.759 nan 8.230 nan 0.000 0.422 404 A N 2.031 124.463 122.820 -0.646 0.000 2.488 404 A HA 0.129 4.450 4.320 0.000 0.000 0.249 404 A C 1.096 178.678 177.584 -0.003 0.000 1.083 404 A CA -0.334 51.412 52.037 -0.484 0.000 0.768 404 A CB 0.194 18.970 19.000 -0.373 0.000 1.017 404 A HN 0.689 nan 8.150 nan 0.000 0.496 405 N N 1.162 119.888 118.700 0.044 0.000 2.459 405 N HA -0.125 4.615 4.740 0.000 0.000 0.181 405 N C 0.718 176.248 175.510 0.034 0.000 1.046 405 N CA 1.262 54.352 53.050 0.067 0.000 0.904 405 N CB 0.137 38.669 38.487 0.075 0.000 0.964 405 N HN 0.872 nan 8.380 nan 0.000 0.444 406 D N -0.467 119.943 120.400 0.017 0.000 2.349 406 D HA -0.017 4.623 4.640 0.000 0.000 0.215 406 D C 0.314 176.580 176.300 -0.057 0.000 1.016 406 D CA 0.432 54.427 54.000 -0.009 0.000 0.870 406 D CB 0.316 41.120 40.800 0.006 0.000 0.917 406 D HN -0.089 nan 8.370 nan 0.000 0.524 407 K N 0.193 120.536 120.400 -0.095 0.000 2.185 407 K HA 0.433 4.753 4.320 0.000 0.000 0.240 407 K C -0.513 175.848 176.600 -0.398 0.000 0.983 407 K CA -0.713 55.424 56.287 -0.250 0.000 0.873 407 K CB 2.006 34.331 32.500 -0.291 0.000 1.118 407 K HN -0.079 nan 8.250 nan 0.000 0.441 408 S N 0.662 116.024 115.700 -0.564 0.000 2.501 408 S HA 0.656 5.126 4.470 0.000 0.000 0.301 408 S C -1.588 172.549 174.600 -0.772 0.000 1.096 408 S CA -0.563 57.350 58.200 -0.478 0.000 1.063 408 S CB 0.259 63.305 63.200 -0.256 0.000 1.042 408 S HN 0.368 nan 8.310 nan 0.000 0.494 409 Y N 1.161 121.467 120.300 0.011 0.000 2.421 409 Y HA 0.363 4.914 4.550 0.000 0.000 0.339 409 Y C 0.183 176.056 175.900 -0.046 0.000 0.996 409 Y CA -0.861 57.230 58.100 -0.015 0.000 1.046 409 Y CB 2.048 40.514 38.460 0.010 0.000 1.226 409 Y HN 0.437 nan 8.280 nan 0.000 0.445 410 T N 3.304 117.841 114.554 -0.028 0.000 2.749 410 T HA 0.400 4.750 4.350 0.000 0.000 0.287 410 T C -1.174 173.385 174.700 -0.234 0.000 0.970 410 T CA -0.576 61.494 62.100 -0.049 0.000 0.980 410 T CB -0.011 68.832 68.868 -0.041 0.000 0.924 410 T HN 0.337 nan 8.240 nan 0.000 0.456 411 Y N 3.681 124.010 120.300 0.047 0.000 2.402 411 Y HA 0.467 5.017 4.550 0.000 0.000 0.332 411 Y C 0.729 176.636 175.900 0.012 0.000 0.960 411 Y CA -1.338 56.775 58.100 0.022 0.000 1.228 411 Y CB 0.409 38.874 38.460 0.008 0.000 1.120 411 Y HN 0.610 nan 8.280 nan 0.000 0.491 412 I N -0.204 120.421 120.570 0.092 0.000 2.834 412 I HA 0.385 4.555 4.170 0.000 0.000 0.305 412 I C 0.073 176.224 176.117 0.057 0.000 1.008 412 I CA -0.943 60.394 61.300 0.062 0.000 1.273 412 I CB 1.000 39.017 38.000 0.029 0.000 1.432 412 I HN 0.701 nan 8.210 nan 0.000 0.557 413 Q N 1.545 121.370 119.800 0.041 0.000 2.451 413 Q HA -0.215 4.125 4.340 0.000 0.000 0.305 413 Q C 0.682 176.686 176.000 0.007 0.000 1.345 413 Q CA 0.629 56.445 55.803 0.022 0.000 0.854 413 Q CB -1.201 27.532 28.738 -0.009 0.000 1.162 413 Q HN 0.780 nan 8.270 nan 0.000 0.440 414 Q N -0.052 119.763 119.800 0.026 0.000 2.226 414 Q HA -0.163 4.178 4.340 0.000 0.000 0.204 414 Q C 0.801 176.796 176.000 -0.008 0.000 0.975 414 Q CA 1.215 57.026 55.803 0.014 0.000 0.866 414 Q CB 0.203 28.955 28.738 0.024 0.000 0.915 414 Q HN 0.493 nan 8.270 nan 0.000 0.440 415 D N 0.010 120.408 120.400 -0.004 0.000 2.360 415 D HA -0.008 4.632 4.640 0.000 0.000 0.210 415 D C 0.438 176.719 176.300 -0.033 0.000 1.047 415 D CA 0.100 54.093 54.000 -0.012 0.000 0.854 415 D CB 0.130 40.934 40.800 0.006 0.000 0.936 415 D HN 0.081 nan 8.370 nan 0.000 0.514 416 R N 2.748 123.217 120.500 -0.051 0.000 2.421 416 R HA 0.106 4.446 4.340 0.000 0.000 0.305 416 R C -2.328 173.877 176.300 -0.159 0.000 1.039 416 R CA -0.957 55.075 56.100 -0.114 0.000 1.003 416 R CB 0.520 30.696 30.300 -0.206 0.000 0.959 416 R HN -0.104 nan 8.270 nan 0.000 0.427 417 P HA 0.042 nan 4.420 nan 0.000 0.275 417 P C 0.302 177.497 177.300 -0.174 0.000 1.228 417 P CA -0.088 62.874 63.100 -0.230 0.000 0.786 417 P CB 1.023 32.471 31.700 -0.419 0.000 0.927 418 I N 1.283 121.821 120.570 -0.052 0.000 2.405 418 I HA -0.078 4.092 4.170 0.000 0.000 0.236 418 I C 1.871 178.052 176.117 0.106 0.000 1.071 418 I CA 1.129 62.430 61.300 0.002 0.000 1.398 418 I CB -0.178 37.819 38.000 -0.005 0.000 1.162 418 I HN 0.365 nan 8.210 nan 0.000 0.432 419 Q N -0.598 119.266 119.800 0.107 0.000 2.081 419 Q HA 0.072 4.412 4.340 0.000 0.000 0.220 419 Q C 1.565 177.599 176.000 0.056 0.000 0.775 419 Q CA -0.124 55.721 55.803 0.070 0.000 0.983 419 Q CB 1.168 29.913 28.738 0.012 0.000 1.188 419 Q HN 0.325 nan 8.270 nan 0.000 0.458 420 Q N 0.044 119.922 119.800 0.131 0.000 2.135 420 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 420 Q C 1.427 177.470 176.000 0.072 0.000 0.981 420 Q CA 2.082 57.931 55.803 0.077 0.000 0.856 420 Q CB -0.692 28.084 28.738 0.063 0.000 0.902 420 Q HN 0.672 nan 8.270 nan 0.000 0.425 421 H N -1.589 117.435 119.070 -0.077 0.000 2.563 421 H HA 0.129 4.685 4.556 0.000 0.000 0.272 421 H C 0.919 176.185 175.328 -0.103 0.000 1.005 421 H CA -0.027 55.995 56.048 -0.043 0.000 1.171 421 H CB 0.158 29.929 29.762 0.016 0.000 1.351 421 H HN 0.229 nan 8.280 nan 0.000 0.602 422 Q N 0.893 120.341 119.800 -0.587 0.000 3.028 422 Q HA 0.173 4.513 4.340 0.000 0.000 0.204 422 Q C -0.192 175.575 176.000 -0.388 0.000 1.155 422 Q CA -0.816 54.451 55.803 -0.895 0.000 0.447 422 Q CB 0.496 28.367 28.738 -1.444 0.000 5.412 422 Q HN 0.366 nan 8.270 nan 0.000 0.322 423 E N 0.455 120.383 120.200 -0.454 0.000 2.404 423 E HA 0.162 4.512 4.350 0.000 0.000 0.261 423 E C -1.167 175.023 176.600 -0.684 0.000 1.074 423 E CA -0.044 56.029 56.400 -0.544 0.000 0.917 423 E CB 0.619 29.733 29.700 -0.976 0.000 0.965 423 E HN 0.062 nan 8.360 nan 0.000 0.433 424 V N 2.658 122.206 119.914 -0.609 0.000 2.398 424 V HA 0.316 4.436 4.120 0.000 0.000 0.286 424 V C -0.828 174.944 176.094 -0.536 0.000 1.026 424 V CA -0.701 61.341 62.300 -0.431 0.000 0.868 424 V CB 0.455 32.165 31.823 -0.189 0.000 0.982 424 V HN 0.587 nan 8.190 nan 0.000 0.443 425 W N 3.378 124.666 121.300 -0.020 0.000 2.512 425 W HA 0.582 5.242 4.660 0.000 0.000 0.335 425 W C 0.294 176.793 176.519 -0.033 0.000 1.088 425 W CA -0.357 56.968 57.345 -0.034 0.000 1.236 425 W CB 0.996 30.418 29.460 -0.062 0.000 1.307 425 W HN 0.462 nan 8.180 nan 0.000 0.567 426 N N 0.780 119.601 118.700 0.201 0.000 2.242 426 N HA 0.640 5.380 4.740 0.000 0.000 0.292 426 N C -0.736 174.816 175.510 0.070 0.000 1.125 426 N CA -0.152 52.956 53.050 0.096 0.000 0.783 426 N CB 2.169 40.686 38.487 0.050 0.000 1.558 426 N HN 0.715 nan 8.380 nan 0.000 0.472 427 G N 2.134 110.954 108.800 0.033 0.000 2.317 427 G HA2 0.048 4.008 3.960 0.000 0.000 0.445 427 G HA3 0.048 4.008 3.960 0.000 0.000 0.445 427 G C -2.853 172.042 174.900 -0.009 0.000 1.486 427 G CA -0.856 44.246 45.100 0.003 0.000 0.991 427 G HN 0.544 nan 8.290 nan 0.000 0.660 428 P HA 0.616 nan 4.420 nan 0.000 0.277 428 P C 0.147 177.425 177.300 -0.037 0.000 1.276 428 P CA 0.149 63.236 63.100 -0.022 0.000 0.788 428 P CB 0.610 32.301 31.700 -0.015 0.000 1.114 429 A N 0.950 123.749 122.820 -0.036 0.000 2.457 429 A HA 0.361 4.682 4.320 0.000 0.000 0.298 429 A C 0.455 178.020 177.584 -0.032 0.000 1.288 429 A CA -0.401 51.609 52.037 -0.046 0.000 0.956 429 A CB -1.235 17.741 19.000 -0.040 0.000 1.135 429 A HN 0.424 nan 8.150 nan 0.000 0.535 430 I N 4.147 124.693 120.570 -0.039 0.000 2.336 430 I HA 0.246 4.416 4.170 0.000 0.000 0.292 430 I C -1.919 174.217 176.117 0.032 0.000 0.991 430 I CA -1.956 59.341 61.300 -0.004 0.000 1.227 430 I CB 1.676 39.661 38.000 -0.024 0.000 1.366 430 I HN 0.461 nan 8.210 nan 0.000 0.466 431 P HA 0.103 nan 4.420 nan 0.000 0.269 431 P C -1.372 176.025 177.300 0.161 0.000 1.263 431 P CA 0.177 63.324 63.100 0.077 0.000 0.813 431 P CB -0.107 31.623 31.700 0.050 0.000 0.868 432 Y N 2.280 122.585 120.300 0.009 0.000 2.425 432 Y HA 0.381 4.931 4.550 0.000 0.000 0.344 432 Y C -0.691 175.284 175.900 0.124 0.000 0.969 432 Y CA -1.033 57.089 58.100 0.036 0.000 1.052 432 Y CB 1.711 40.149 38.460 -0.036 0.000 1.215 432 Y HN 0.431 nan 8.280 nan 0.000 0.451 433 H N 6.254 125.034 119.070 -0.483 0.000 2.685 433 H HA 0.136 4.692 4.556 0.000 0.000 0.307 433 H C -1.074 173.930 175.328 -0.540 0.000 1.017 433 H CA -0.822 55.029 56.048 -0.329 0.000 1.237 433 H CB 0.539 30.191 29.762 -0.182 0.000 1.409 433 H HN 0.837 nan 8.280 nan 0.000 0.488 434 W N 6.203 127.325 121.300 -0.298 0.000 1.303 434 W HA 0.322 4.982 4.660 0.000 0.000 0.478 434 W C -0.227 176.221 176.519 -0.118 0.000 0.604 434 W CA -0.741 56.481 57.345 -0.204 0.000 2.319 434 W CB -1.459 28.087 29.460 0.144 0.000 1.443 434 W HN 0.647 nan 8.180 nan 0.000 0.249 435 A N 1.568 124.275 122.820 -0.189 0.000 2.475 435 A HA 0.210 4.530 4.320 0.000 0.000 0.239 435 A C 0.818 178.324 177.584 -0.131 0.000 1.087 435 A CA 0.063 51.933 52.037 -0.277 0.000 0.779 435 A CB -0.012 18.661 19.000 -0.545 0.000 1.036 435 A HN 0.306 nan 8.150 nan 0.000 0.506 436 T N 2.538 117.020 114.554 -0.119 0.000 2.822 436 T HA 0.169 4.519 4.350 0.000 0.000 0.288 436 T C 0.694 175.380 174.700 -0.023 0.000 0.991 436 T CA 0.514 62.563 62.100 -0.084 0.000 1.176 436 T CB -0.341 68.505 68.868 -0.037 0.000 0.951 436 T HN 0.617 nan 8.240 nan 0.000 0.526 437 S N 5.747 121.448 115.700 0.002 0.000 2.560 437 S HA 0.183 4.653 4.470 0.000 0.000 0.284 437 S C -1.419 173.222 174.600 0.069 0.000 1.327 437 S CA -1.056 57.181 58.200 0.063 0.000 1.055 437 S CB 0.099 63.355 63.200 0.093 0.000 0.868 437 S HN 0.597 nan 8.310 nan 0.000 0.506 438 P HA 0.353 nan 4.420 nan 0.000 0.269 438 P C 0.671 178.004 177.300 0.056 0.000 1.215 438 P CA 0.261 63.389 63.100 0.047 0.000 0.780 438 P CB 0.196 31.916 31.700 0.034 0.000 0.898 439 G N 2.120 110.941 108.800 0.035 0.000 2.484 439 G HA2 -0.226 3.734 3.960 0.000 0.000 0.225 439 G HA3 -0.226 3.734 3.960 0.000 0.000 0.225 439 G C -0.038 174.893 174.900 0.052 0.000 1.250 439 G CA 0.467 45.586 45.100 0.031 0.000 0.926 439 G HN 0.545 nan 8.290 nan 0.000 0.581 440 D N -1.294 119.148 120.400 0.070 0.000 2.433 440 D HA 0.353 4.993 4.640 0.000 0.000 0.211 440 D C 2.189 178.581 176.300 0.155 0.000 1.114 440 D CA 1.009 55.075 54.000 0.111 0.000 0.837 440 D CB 0.824 41.655 40.800 0.051 0.000 0.984 440 D HN 0.610 nan 8.370 nan 0.000 0.505 441 V N 0.529 120.515 119.914 0.121 0.000 2.469 441 V HA -0.178 3.942 4.120 0.000 0.000 0.251 441 V C 0.740 176.859 176.094 0.041 0.000 1.064 441 V CA 1.980 64.337 62.300 0.096 0.000 1.066 441 V CB -0.135 31.753 31.823 0.107 0.000 0.667 441 V HN 0.162 nan 8.190 nan 0.000 0.461 442 D N -1.479 118.941 120.400 0.034 0.000 2.328 442 D HA 0.086 4.726 4.640 0.000 0.000 0.221 442 D C 1.136 177.222 176.300 -0.355 0.000 1.072 442 D CA 0.503 54.408 54.000 -0.158 0.000 0.850 442 D CB 0.280 40.953 40.800 -0.213 0.000 0.922 442 D HN 0.575 nan 8.370 nan 0.000 0.516 443 F N -0.718 119.178 119.950 -0.091 0.000 2.752 443 F HA 0.070 4.597 4.527 0.000 0.000 0.310 443 F C 2.090 177.832 175.800 -0.097 0.000 1.097 443 F CA -0.071 57.871 58.000 -0.096 0.000 1.238 443 F CB 0.113 39.067 39.000 -0.078 0.000 1.061 443 F HN -0.217 nan 8.300 nan 0.000 0.591 444 V N 0.448 120.400 119.914 0.064 0.000 2.231 444 V HA -0.356 3.765 4.120 0.000 0.000 0.248 444 V C 2.211 178.264 176.094 -0.069 0.000 1.054 444 V CA 2.265 64.576 62.300 0.018 0.000 1.015 444 V CB -0.582 31.258 31.823 0.029 0.000 0.638 444 V HN 0.357 nan 8.190 nan 0.000 0.444 445 Q N -0.799 118.878 119.800 -0.205 0.000 2.224 445 Q HA -0.112 4.228 4.340 0.000 0.000 0.203 445 Q C 2.333 178.029 176.000 -0.507 0.000 0.970 445 Q CA 1.387 56.957 55.803 -0.387 0.000 0.865 445 Q CB -0.327 28.041 28.738 -0.616 0.000 0.922 445 Q HN 0.705 nan 8.270 nan 0.000 0.445 446 A N 1.265 123.846 122.820 -0.399 0.000 1.930 446 A HA -0.192 4.128 4.320 0.000 0.000 0.217 446 A C 2.031 179.621 177.584 0.010 0.000 1.175 446 A CA 1.304 53.236 52.037 -0.174 0.000 0.627 446 A CB -0.377 18.564 19.000 -0.098 0.000 0.815 446 A HN 0.192 nan 8.150 nan 0.000 0.443 447 R N -0.255 120.263 120.500 0.029 0.000 2.090 447 R HA -0.074 4.266 4.340 0.000 0.000 0.228 447 R C 1.494 177.871 176.300 0.128 0.000 1.110 447 R CA 1.347 57.516 56.100 0.116 0.000 0.973 447 R CB -0.212 30.147 30.300 0.098 0.000 0.869 447 R HN 0.532 nan 8.270 nan 0.000 0.440 448 N N 0.995 119.724 118.700 0.050 0.000 2.396 448 N HA -0.156 4.584 4.740 0.000 0.000 0.180 448 N C 1.633 177.182 175.510 0.064 0.000 1.028 448 N CA 0.513 53.594 53.050 0.051 0.000 0.893 448 N CB -0.047 38.451 38.487 0.020 0.000 0.967 448 N HN 0.265 nan 8.380 nan 0.000 0.440 449 L N 0.247 121.511 121.223 0.067 0.000 2.109 449 L HA -0.140 4.200 4.340 0.000 0.000 0.207 449 L C 2.058 179.029 176.870 0.168 0.000 1.086 449 L CA 1.477 56.386 54.840 0.115 0.000 0.760 449 L CB -0.799 41.346 42.059 0.143 0.000 0.910 449 L HN 0.058 nan 8.230 nan 0.000 0.437 450 Y N 1.469 121.810 120.300 0.069 0.000 2.181 450 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 450 Y C 2.795 178.733 175.900 0.064 0.000 1.146 450 Y CA 1.802 59.951 58.100 0.081 0.000 1.164 450 Y CB -0.231 38.284 38.460 0.091 0.000 0.982 450 Y HN 0.155 nan 8.280 nan 0.000 0.515 451 R N -1.085 119.425 120.500 0.017 0.000 2.092 451 R HA -0.100 4.240 4.340 0.000 0.000 0.231 451 R C 2.168 178.433 176.300 -0.058 0.000 1.119 451 R CA 1.436 57.498 56.100 -0.062 0.000 0.970 451 R CB -0.545 29.766 30.300 0.019 0.000 0.864 451 R HN 0.225 nan 8.270 nan 0.000 0.440 452 V N 1.393 121.305 119.914 -0.003 0.000 2.515 452 V HA -0.169 3.952 4.120 0.000 0.000 0.250 452 V C 2.123 178.215 176.094 -0.003 0.000 1.058 452 V CA 1.406 63.714 62.300 0.012 0.000 1.064 452 V CB -0.318 31.535 31.823 0.049 0.000 0.675 452 V HN 0.303 nan 8.190 nan 0.000 0.461 453 L N 0.298 121.506 121.223 -0.025 0.000 2.291 453 L HA -0.010 4.330 4.340 0.000 0.000 0.214 453 L C 2.541 179.350 176.870 -0.100 0.000 1.120 453 L CA 1.291 56.111 54.840 -0.035 0.000 0.799 453 L CB -0.898 41.156 42.059 -0.008 0.000 0.925 453 L HN 0.465 nan 8.230 nan 0.000 0.446 454 G N 0.139 108.833 108.800 -0.177 0.000 2.443 454 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 454 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 454 G C 1.655 176.509 174.900 -0.078 0.000 1.131 454 G CA 0.326 45.326 45.100 -0.166 0.000 0.775 454 G HN 0.324 nan 8.290 nan 0.000 0.547 455 K N -0.145 120.226 120.400 -0.048 0.000 2.148 455 K HA 0.000 4.320 4.320 0.000 0.000 0.204 455 K C 0.652 177.246 176.600 -0.009 0.000 1.050 455 K CA 0.512 56.787 56.287 -0.020 0.000 0.942 455 K CB 0.055 32.552 32.500 -0.004 0.000 0.724 455 K HN 0.332 nan 8.250 nan 0.000 0.446 456 Q N 0.967 120.763 119.800 -0.007 0.000 2.296 456 Q HA 0.190 4.530 4.340 0.000 0.000 0.257 456 Q C -2.548 173.450 176.000 -0.002 0.000 0.942 456 Q CA -2.180 53.626 55.803 0.005 0.000 0.939 456 Q CB 1.133 29.884 28.738 0.021 0.000 1.198 456 Q HN -0.097 nan 8.270 nan 0.000 0.429 457 P HA 0.055 nan 4.420 nan 0.000 0.266 457 P C 0.587 177.889 177.300 0.003 0.000 1.215 457 P CA 0.732 63.831 63.100 -0.003 0.000 0.763 457 P CB 0.764 32.463 31.700 -0.001 0.000 0.806 458 G N 2.827 111.628 108.800 0.001 0.000 2.217 458 G HA2 -0.280 3.680 3.960 0.000 0.000 0.246 458 G HA3 -0.280 3.680 3.960 0.000 0.000 0.246 458 G C 1.192 176.107 174.900 0.024 0.000 0.990 458 G CA -0.181 44.923 45.100 0.007 0.000 0.627 458 G HN 0.446 nan 8.290 nan 0.000 0.522 459 Q N 0.134 119.950 119.800 0.027 0.000 2.230 459 Q HA 0.036 4.377 4.340 0.000 0.000 0.202 459 Q C 2.609 178.653 176.000 0.075 0.000 0.963 459 Q CA 1.673 57.508 55.803 0.053 0.000 0.866 459 Q CB -0.173 28.593 28.738 0.048 0.000 0.931 459 Q HN 0.831 nan 8.270 nan 0.000 0.452 460 Q N -0.082 119.743 119.800 0.042 0.000 2.245 460 Q HA -0.042 4.299 4.340 0.000 0.000 0.201 460 Q C 1.783 177.866 176.000 0.139 0.000 0.955 460 Q CA 0.653 56.512 55.803 0.093 0.000 0.870 460 Q CB 0.165 28.883 28.738 -0.033 0.000 0.945 460 Q HN 0.273 nan 8.270 nan 0.000 0.461 461 K N 0.445 120.897 120.400 0.087 0.000 2.062 461 K HA -0.055 4.266 4.320 0.000 0.000 0.205 461 K C 1.727 178.399 176.600 0.119 0.000 1.051 461 K CA 0.974 57.311 56.287 0.083 0.000 0.941 461 K CB 0.051 32.572 32.500 0.036 0.000 0.719 461 K HN 0.076 nan 8.250 nan 0.000 0.440 462 N N 1.304 120.073 118.700 0.114 0.000 2.166 462 N HA -0.148 4.593 4.740 0.000 0.000 0.186 462 N C 1.717 177.357 175.510 0.216 0.000 1.019 462 N CA 0.768 53.918 53.050 0.166 0.000 0.856 462 N CB -0.265 38.297 38.487 0.126 0.000 0.993 462 N HN 0.044 nan 8.380 nan 0.000 0.426 463 L N 0.967 122.304 121.223 0.190 0.000 2.012 463 L HA -0.067 4.273 4.340 0.000 0.000 0.210 463 L C 2.014 178.954 176.870 0.117 0.000 1.073 463 L CA 1.755 56.712 54.840 0.196 0.000 0.748 463 L CB -0.894 41.303 42.059 0.230 0.000 0.891 463 L HN 0.138 nan 8.230 nan 0.000 0.431 464 A N -1.626 121.250 122.820 0.094 0.000 1.933 464 A HA -0.267 4.053 4.320 0.000 0.000 0.218 464 A C 2.280 179.884 177.584 0.033 0.000 1.175 464 A CA 1.753 53.791 52.037 0.001 0.000 0.628 464 A CB -1.130 17.888 19.000 0.029 0.000 0.814 464 A HN 0.664 nan 8.150 nan 0.000 0.444 465 Y N 1.367 121.672 120.300 0.008 0.000 2.184 465 Y HA -0.170 4.381 4.550 0.000 0.000 0.290 465 Y C 2.114 178.051 175.900 0.062 0.000 1.129 465 Y CA 1.957 60.071 58.100 0.024 0.000 1.144 465 Y CB -0.232 38.249 38.460 0.036 0.000 0.995 465 Y HN 0.319 nan 8.280 nan 0.000 0.513 466 N N 0.618 119.392 118.700 0.124 0.000 2.166 466 N HA -0.175 4.565 4.740 0.000 0.000 0.186 466 N C 1.877 177.498 175.510 0.186 0.000 1.019 466 N CA 2.011 55.164 53.050 0.172 0.000 0.856 466 N CB -0.388 38.307 38.487 0.347 0.000 0.993 466 N HN 0.474 nan 8.380 nan 0.000 0.426 467 I N 0.117 120.668 120.570 -0.032 0.000 2.333 467 I HA -0.067 4.103 4.170 0.000 0.000 0.246 467 I C 2.434 178.410 176.117 -0.235 0.000 1.106 467 I CA 0.970 62.046 61.300 -0.374 0.000 1.411 467 I CB -0.633 36.989 38.000 -0.630 0.000 1.082 467 I HN 0.097 nan 8.210 nan 0.000 0.420 468 G N 2.363 111.041 108.800 -0.203 0.000 2.446 468 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 468 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 468 G C 1.673 176.483 174.900 -0.150 0.000 1.168 468 G CA 1.101 46.103 45.100 -0.165 0.000 0.771 468 G HN 0.587 nan 8.290 nan 0.000 0.551 469 I N -3.049 117.379 120.570 -0.237 0.000 2.830 469 I HA 0.001 4.171 4.170 0.000 0.000 0.263 469 I C 2.286 178.373 176.117 -0.050 0.000 1.230 469 I CA 1.469 62.649 61.300 -0.200 0.000 1.480 469 I CB -0.394 37.388 38.000 -0.363 0.000 1.095 469 I HN 0.112 nan 8.210 nan 0.000 0.455 470 H N 1.639 120.681 119.070 -0.047 0.000 2.370 470 H HA 0.076 4.632 4.556 0.000 0.000 0.304 470 H C 2.202 177.566 175.328 0.059 0.000 1.055 470 H CA 1.626 57.706 56.048 0.052 0.000 1.373 470 H CB 0.310 30.214 29.762 0.236 0.000 1.423 470 H HN 0.278 nan 8.280 nan 0.000 0.533 471 V N 1.976 121.966 119.914 0.126 0.000 2.626 471 V HA -0.159 3.961 4.120 0.000 0.000 0.252 471 V C 2.611 178.659 176.094 -0.076 0.000 1.067 471 V CA 1.743 63.986 62.300 -0.094 0.000 1.081 471 V CB -0.406 31.188 31.823 -0.382 0.000 0.686 471 V HN 0.441 nan 8.190 nan 0.000 0.468 472 E N 1.506 121.675 120.200 -0.052 0.000 2.147 472 E HA -0.243 4.108 4.350 0.000 0.000 0.199 472 E C 2.038 178.615 176.600 -0.039 0.000 1.005 472 E CA 1.775 58.151 56.400 -0.040 0.000 0.810 472 E CB -0.414 29.259 29.700 -0.046 0.000 0.736 472 E HN 0.582 nan 8.360 nan 0.000 0.460 473 G N 0.154 108.923 108.800 -0.052 0.000 3.061 473 G HA2 0.282 4.242 3.960 0.000 0.000 0.208 473 G HA3 0.282 4.242 3.960 0.000 0.000 0.208 473 G C 0.349 175.237 174.900 -0.019 0.000 1.175 473 G CA 0.399 45.469 45.100 -0.051 0.000 0.812 473 G HN 0.399 nan 8.290 nan 0.000 0.523 474 A N -0.890 121.928 122.820 -0.004 0.000 2.288 474 A HA 0.577 4.897 4.320 0.000 0.000 0.328 474 A C 0.466 178.048 177.584 -0.004 0.000 1.123 474 A CA -0.523 51.528 52.037 0.024 0.000 0.861 474 A CB 0.525 19.558 19.000 0.055 0.000 1.272 474 A HN 0.599 nan 8.150 nan 0.000 0.490 475 C N 2.219 121.525 119.300 0.010 0.000 2.662 475 C HA 0.342 4.802 4.460 0.000 0.000 0.420 475 C C -0.384 174.591 174.990 -0.025 0.000 1.314 475 C CA -0.715 58.304 59.018 0.001 0.000 1.963 475 C CB 0.069 27.820 27.740 0.017 0.000 2.686 475 C HN 0.682 nan 8.230 nan 0.000 0.609 476 P HA -0.233 nan 4.420 nan 0.000 0.216 476 P C 1.169 178.440 177.300 -0.048 0.000 1.153 476 P CA 2.502 65.584 63.100 -0.029 0.000 0.858 476 P CB -0.052 31.645 31.700 -0.005 0.000 0.789 477 Q N -0.750 119.031 119.800 -0.032 0.000 2.230 477 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 477 Q C 2.308 178.275 176.000 -0.055 0.000 0.963 477 Q CA 0.950 56.733 55.803 -0.033 0.000 0.866 477 Q CB -0.934 27.798 28.738 -0.011 0.000 0.931 477 Q HN 0.219 nan 8.270 nan 0.000 0.452 478 I N 0.799 121.339 120.570 -0.049 0.000 2.353 478 I HA -0.212 3.958 4.170 0.000 0.000 0.248 478 I C 2.376 178.389 176.117 -0.173 0.000 1.119 478 I CA 1.055 62.329 61.300 -0.042 0.000 1.417 478 I CB -0.139 37.884 38.000 0.039 0.000 1.078 478 I HN 0.324 nan 8.210 nan 0.000 0.421 479 Q N 0.075 119.715 119.800 -0.267 0.000 2.124 479 Q HA -0.293 4.047 4.340 0.000 0.000 0.202 479 Q C 2.157 177.597 176.000 -0.933 0.000 0.977 479 Q CA 1.481 56.932 55.803 -0.587 0.000 0.850 479 Q CB -0.160 28.305 28.738 -0.455 0.000 0.901 479 Q HN 0.338 nan 8.270 nan 0.000 0.429 480 Q N 1.091 120.613 119.800 -0.463 0.000 2.124 480 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 480 Q C 1.688 177.572 176.000 -0.195 0.000 0.977 480 Q CA 1.556 57.207 55.803 -0.253 0.000 0.850 480 Q CB 0.059 28.767 28.738 -0.049 0.000 0.901 480 Q HN 0.236 nan 8.270 nan 0.000 0.429 481 R N -0.951 119.446 120.500 -0.172 0.000 2.148 481 R HA -0.035 4.305 4.340 0.000 0.000 0.227 481 R C 2.194 178.434 176.300 -0.100 0.000 1.103 481 R CA 1.170 57.215 56.100 -0.091 0.000 0.983 481 R CB -0.216 30.059 30.300 -0.042 0.000 0.874 481 R HN 0.143 nan 8.270 nan 0.000 0.451 482 V N 0.325 120.096 119.914 -0.240 0.000 2.358 482 V HA -0.242 3.878 4.120 0.000 0.000 0.246 482 V C 1.881 177.990 176.094 0.025 0.000 1.047 482 V CA 1.604 63.774 62.300 -0.217 0.000 1.035 482 V CB -0.564 30.892 31.823 -0.612 0.000 0.658 482 V HN 0.196 nan 8.190 nan 0.000 0.452 483 Y N 0.595 120.883 120.300 -0.019 0.000 2.224 483 Y HA -0.155 4.396 4.550 0.000 0.000 0.289 483 Y C 2.457 178.370 175.900 0.022 0.000 1.146 483 Y CA 0.838 58.939 58.100 0.002 0.000 1.182 483 Y CB -1.053 37.380 38.460 -0.044 0.000 0.983 483 Y HN 0.327 nan 8.280 nan 0.000 0.524 484 D N -0.541 119.937 120.400 0.130 0.000 2.178 484 D HA -0.160 4.480 4.640 0.000 0.000 0.202 484 D C 2.290 178.596 176.300 0.010 0.000 0.974 484 D CA 0.989 55.020 54.000 0.051 0.000 0.841 484 D CB -0.400 40.407 40.800 0.012 0.000 0.953 484 D HN 0.341 nan 8.370 nan 0.000 0.478 485 M N -0.814 118.790 119.600 0.007 0.000 2.156 485 M HA -0.119 4.361 4.480 0.000 0.000 0.264 485 M C 1.447 177.695 176.300 -0.085 0.000 1.067 485 M CA 1.274 56.545 55.300 -0.047 0.000 1.131 485 M CB -0.021 32.521 32.600 -0.097 0.000 1.368 485 M HN -0.136 nan 8.290 nan 0.000 0.416 486 F N 0.333 120.304 119.950 0.034 0.000 2.407 486 F HA 0.062 4.589 4.527 0.000 0.000 0.299 486 F C 2.476 178.251 175.800 -0.041 0.000 1.097 486 F CA 1.045 59.047 58.000 0.002 0.000 1.422 486 F CB -0.700 38.277 39.000 -0.038 0.000 1.067 486 F HN 0.228 nan 8.300 nan 0.000 0.539 487 A N -0.193 122.696 122.820 0.116 0.000 2.015 487 A HA -0.167 4.153 4.320 0.000 0.000 0.219 487 A C 2.233 179.796 177.584 -0.035 0.000 1.163 487 A CA 1.201 53.254 52.037 0.027 0.000 0.646 487 A CB -0.669 18.339 19.000 0.012 0.000 0.806 487 A HN 0.319 nan 8.150 nan 0.000 0.448 488 R N -0.688 119.760 120.500 -0.088 0.000 2.235 488 R HA 0.019 4.359 4.340 0.000 0.000 0.213 488 R C 1.372 177.602 176.300 -0.115 0.000 1.059 488 R CA 1.060 57.028 56.100 -0.220 0.000 0.997 488 R CB -0.079 29.915 30.300 -0.511 0.000 0.884 488 R HN 0.362 nan 8.270 nan 0.000 0.462 489 V N -0.786 119.137 119.914 0.014 0.000 2.492 489 V HA 0.055 4.175 4.120 0.000 0.000 0.241 489 V C 0.118 176.211 176.094 -0.002 0.000 1.041 489 V CA 1.127 63.464 62.300 0.062 0.000 1.057 489 V CB 0.087 31.963 31.823 0.088 0.000 0.711 489 V HN 0.290 nan 8.190 nan 0.000 0.468 490 D N -2.159 118.213 120.400 -0.046 0.000 2.871 490 D HA 0.257 4.897 4.640 0.000 0.000 0.209 490 D C 0.268 176.540 176.300 -0.046 0.000 1.292 490 D CA -0.378 53.587 54.000 -0.058 0.000 0.869 490 D CB 1.368 42.060 40.800 -0.180 0.000 1.663 490 D HN -0.143 nan 8.370 nan 0.000 0.557 491 K N 1.485 121.875 120.400 -0.016 0.000 2.211 491 K HA 0.082 4.402 4.320 0.000 0.000 0.203 491 K C 1.958 178.546 176.600 -0.021 0.000 1.050 491 K CA 1.114 57.391 56.287 -0.017 0.000 0.945 491 K CB 0.142 32.635 32.500 -0.013 0.000 0.732 491 K HN 0.461 nan 8.250 nan 0.000 0.451 492 G N 0.872 109.672 108.800 0.000 0.000 2.421 492 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 492 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 492 G C 1.343 176.241 174.900 -0.003 0.000 1.143 492 G CA 0.160 45.270 45.100 0.016 0.000 0.784 492 G HN 0.155 nan 8.290 nan 0.000 0.541 493 L N 0.581 121.769 121.223 -0.058 0.000 2.027 493 L HA -0.054 4.286 4.340 0.000 0.000 0.206 493 L C 2.948 179.742 176.870 -0.126 0.000 1.074 493 L CA 1.756 56.513 54.840 -0.139 0.000 0.745 493 L CB -0.377 41.445 42.059 -0.395 0.000 0.898 493 L HN 0.371 nan 8.230 nan 0.000 0.433 494 S N -0.514 115.140 115.700 -0.077 0.000 2.383 494 S HA -0.197 4.273 4.470 0.000 0.000 0.229 494 S C 1.780 176.281 174.600 -0.165 0.000 1.030 494 S CA 1.318 59.483 58.200 -0.060 0.000 1.002 494 S CB -0.146 63.062 63.200 0.014 0.000 0.829 494 S HN 0.434 nan 8.310 nan 0.000 0.467 495 E N 1.159 121.278 120.200 -0.135 0.000 2.072 495 E HA -0.021 4.329 4.350 0.000 0.000 0.191 495 E C 2.369 178.876 176.600 -0.156 0.000 0.985 495 E CA 1.149 57.455 56.400 -0.157 0.000 0.801 495 E CB -0.713 28.932 29.700 -0.092 0.000 0.750 495 E HN 0.614 nan 8.360 nan 0.000 0.452 496 A N 0.939 123.696 122.820 -0.106 0.000 1.969 496 A HA -0.096 4.224 4.320 0.000 0.000 0.218 496 A C 2.303 179.823 177.584 -0.107 0.000 1.169 496 A CA 0.827 52.819 52.037 -0.075 0.000 0.635 496 A CB -0.519 18.469 19.000 -0.021 0.000 0.810 496 A HN 0.154 nan 8.150 nan 0.000 0.445 497 I N -0.622 119.847 120.570 -0.168 0.000 2.252 497 I HA -0.224 3.946 4.170 0.000 0.000 0.245 497 I C 2.514 178.516 176.117 -0.191 0.000 1.102 497 I CA 1.635 62.823 61.300 -0.187 0.000 1.385 497 I CB -0.195 37.654 38.000 -0.251 0.000 1.064 497 I HN 0.331 nan 8.210 nan 0.000 0.414 498 K N 1.513 121.669 120.400 -0.406 0.000 2.097 498 K HA -0.252 4.068 4.320 0.000 0.000 0.206 498 K C 2.212 178.653 176.600 -0.265 0.000 1.049 498 K CA 1.530 57.447 56.287 -0.617 0.000 0.933 498 K CB -0.023 31.920 32.500 -0.929 0.000 0.717 498 K HN 0.145 nan 8.250 nan 0.000 0.442 499 K N 0.332 120.621 120.400 -0.184 0.000 2.097 499 K HA -0.083 4.237 4.320 0.000 0.000 0.205 499 K C 1.780 178.352 176.600 -0.047 0.000 1.050 499 K CA 1.098 57.327 56.287 -0.096 0.000 0.938 499 K CB 0.197 32.654 32.500 -0.071 0.000 0.718 499 K HN -0.003 nan 8.250 nan 0.000 0.442 500 V N 1.015 120.906 119.914 -0.039 0.000 2.407 500 V HA -0.104 4.016 4.120 0.000 0.000 0.245 500 V C 2.326 178.404 176.094 -0.027 0.000 1.041 500 V CA 1.686 63.985 62.300 -0.002 0.000 1.040 500 V CB -0.396 31.430 31.823 0.005 0.000 0.671 500 V HN 0.439 nan 8.190 nan 0.000 0.455 501 A N -0.533 122.266 122.820 -0.035 0.000 2.125 501 A HA -0.129 4.191 4.320 0.000 0.000 0.219 501 A C 1.212 178.798 177.584 0.004 0.000 1.156 501 A CA 1.110 53.142 52.037 -0.007 0.000 0.671 501 A CB -0.288 18.755 19.000 0.071 0.000 0.794 501 A HN 0.668 nan 8.150 nan 0.000 0.459 502 E N 0.000 120.195 120.200 -0.008 0.000 2.725 502 E HA 0.000 4.350 4.350 0.000 0.000 0.291 502 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 502 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 502 E HN 0.000 nan 8.360 nan 0.000 0.440