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 3ebs_1_C DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVREA LVDQAEEFSG RGEQATFDWV FKGYGVVFSN GERAKQLRRF DATA SEQUENCE SIATLRDFGV GKRGIEERIQ EEAGFLIDAL RGTGGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYKDKEFLS LLRMMLGSFQ FTSTSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFQL LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YMEAVIHEIQ RFGDVIPMGL ARRVKKDTKF DATA SEQUENCE RDFFLPKGTE VYPMLGSVLR DPSFFSNPQD FNPQHFLNEK GQFKKSDAFV DATA SEQUENCE PFSIGKRNCF GEGLARMELF LFFTTVMQNF RLKSSQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPR 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 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 31 G C 0.000 174.990 174.900 0.150 0.000 0.946 31 G CA 0.000 45.108 45.100 0.013 0.000 0.502 32 K N 0.529 121.083 120.400 0.256 0.000 2.328 32 K HA 0.673 4.994 4.320 0.002 0.000 0.246 32 K C -0.798 176.006 176.600 0.339 0.000 0.955 32 K CA -0.692 55.756 56.287 0.268 0.000 0.817 32 K CB 2.624 35.261 32.500 0.229 0.000 1.208 32 K HN 0.063 nan 8.250 nan 0.000 0.432 33 L N 3.118 124.479 121.223 0.231 0.000 2.417 33 L HA 0.228 4.569 4.340 0.002 0.000 0.268 33 L C -2.002 174.862 176.870 -0.009 0.000 1.158 33 L CA -1.458 53.452 54.840 0.117 0.000 0.819 33 L CB 0.361 42.454 42.059 0.056 0.000 1.112 33 L HN 0.365 nan 8.230 nan 0.000 0.458 34 P HA 0.005 nan 4.420 nan 0.000 0.266 34 P C -2.416 174.743 177.300 -0.235 0.000 1.193 34 P CA -0.694 61.976 63.100 -0.716 0.000 0.770 34 P CB -0.333 30.858 31.700 -0.849 0.000 0.836 35 P HA 0.207 nan 4.420 nan 0.000 0.271 35 P C -0.037 177.202 177.300 -0.103 0.000 1.238 35 P CA 0.400 63.523 63.100 0.039 0.000 0.794 35 P CB 0.442 32.289 31.700 0.246 0.000 0.959 36 G N -0.624 107.951 108.800 -0.376 0.000 2.361 36 G HA2 0.352 4.313 3.960 0.002 0.000 0.299 36 G HA3 0.352 4.313 3.960 0.002 0.000 0.299 36 G C -3.358 171.094 174.900 -0.746 0.000 1.544 36 G CA -0.866 43.791 45.100 -0.737 0.000 0.860 36 G HN 0.384 nan 8.290 nan 0.000 0.610 37 P HA 0.249 nan 4.420 nan 0.000 0.268 37 P C 0.344 177.585 177.300 -0.099 0.000 1.205 37 P CA 0.216 63.173 63.100 -0.238 0.000 0.771 37 P CB 0.445 32.061 31.700 -0.140 0.000 0.858 38 T N 5.553 120.090 114.554 -0.029 0.000 2.829 38 T HA 0.170 4.521 4.350 0.002 0.000 0.293 38 T C -1.633 173.029 174.700 -0.064 0.000 0.970 38 T CA -0.356 61.720 62.100 -0.040 0.000 1.168 38 T CB -0.542 68.323 68.868 -0.006 0.000 0.911 38 T HN 0.440 nan 8.240 nan 0.000 0.535 39 P HA 0.452 nan 4.420 nan 0.000 0.280 39 P C -0.928 176.314 177.300 -0.097 0.000 1.272 39 P CA -0.845 62.161 63.100 -0.157 0.000 0.819 39 P CB 0.840 32.279 31.700 -0.435 0.000 1.122 40 L N 1.531 122.730 121.223 -0.040 0.000 2.334 40 L HA 0.532 4.873 4.340 0.002 0.000 0.272 40 L C -2.214 174.662 176.870 0.010 0.000 1.020 40 L CA -2.661 52.179 54.840 0.001 0.000 0.812 40 L CB 0.153 42.239 42.059 0.045 0.000 1.264 40 L HN 0.252 nan 8.230 nan 0.000 0.439 41 P HA 0.068 nan 4.420 nan 0.000 0.264 41 P C 0.268 177.685 177.300 0.195 0.000 1.183 41 P CA 0.298 63.449 63.100 0.085 0.000 0.763 41 P CB 0.232 31.978 31.700 0.077 0.000 0.807 42 F N 2.839 122.814 119.950 0.042 0.000 2.555 42 F HA -0.365 4.162 4.527 0.001 0.000 0.693 42 F C 1.246 177.150 175.800 0.173 0.000 0.487 42 F CA 2.387 60.441 58.000 0.090 0.000 0.748 42 F CB -1.716 37.331 39.000 0.078 0.000 1.624 42 F HN 0.341 nan 8.300 nan 0.000 0.266 43 I N -0.444 120.141 120.570 0.026 0.000 3.111 43 I HA 0.396 4.567 4.170 0.002 0.000 0.272 43 I C 1.797 177.933 176.117 0.031 0.000 1.268 43 I CA 0.892 62.238 61.300 0.076 0.000 1.467 43 I CB -1.074 36.988 38.000 0.103 0.000 1.087 43 I HN 0.888 nan 8.210 nan 0.000 0.467 44 G N 2.911 111.707 108.800 -0.006 0.000 2.629 44 G HA2 -0.425 3.536 3.960 0.002 0.000 0.313 44 G HA3 -0.425 3.536 3.960 0.002 0.000 0.313 44 G C 0.258 175.185 174.900 0.046 0.000 1.217 44 G CA 0.932 46.034 45.100 0.003 0.000 0.994 44 G HN 0.613 nan 8.290 nan 0.000 0.549 45 N N 0.218 118.959 118.700 0.068 0.000 2.327 45 N HA 0.345 5.086 4.740 0.002 0.000 0.231 45 N C 1.171 176.730 175.510 0.082 0.000 1.130 45 N CA 0.417 53.505 53.050 0.063 0.000 0.845 45 N CB 0.099 38.613 38.487 0.045 0.000 1.073 45 N HN 0.531 nan 8.380 nan 0.000 0.496 46 Y N 1.407 121.714 120.300 0.011 0.000 2.096 46 Y HA -0.317 4.234 4.550 0.002 0.000 0.276 46 Y C 1.445 177.376 175.900 0.051 0.000 1.209 46 Y CA 1.736 59.870 58.100 0.057 0.000 1.137 46 Y CB -0.117 38.434 38.460 0.152 0.000 0.956 46 Y HN 0.187 nan 8.280 nan 0.000 0.506 47 L N -0.426 120.849 121.223 0.086 0.000 2.291 47 L HA -0.173 4.168 4.340 0.002 0.000 0.214 47 L C 1.505 178.339 176.870 -0.059 0.000 1.120 47 L CA 1.026 55.860 54.840 -0.011 0.000 0.799 47 L CB -0.373 41.738 42.059 0.086 0.000 0.925 47 L HN 0.277 nan 8.230 nan 0.000 0.446 48 Q N -0.329 119.447 119.800 -0.041 0.000 2.280 48 Q HA 0.289 4.630 4.340 0.002 0.000 0.201 48 Q C -0.566 175.397 176.000 -0.061 0.000 0.890 48 Q CA 0.365 56.144 55.803 -0.040 0.000 0.947 48 Q CB 0.472 29.198 28.738 -0.020 0.000 1.081 48 Q HN 0.358 nan 8.270 nan 0.000 0.502 49 L N 0.695 121.855 121.223 -0.105 0.000 2.385 49 L HA 0.462 4.803 4.340 0.002 0.000 0.273 49 L C -0.608 176.175 176.870 -0.146 0.000 0.990 49 L CA -1.005 53.776 54.840 -0.098 0.000 0.821 49 L CB 1.590 43.607 42.059 -0.070 0.000 1.279 49 L HN -0.069 nan 8.230 nan 0.000 0.412 50 N N 0.826 119.477 118.700 -0.083 0.000 2.457 50 N HA 0.126 4.867 4.740 0.002 0.000 0.250 50 N C 0.891 176.383 175.510 -0.030 0.000 0.982 50 N CA -0.264 52.745 53.050 -0.068 0.000 0.941 50 N CB 1.534 39.999 38.487 -0.037 0.000 1.120 50 N HN 0.725 nan 8.380 nan 0.000 0.505 51 T N 0.155 114.694 114.554 -0.025 0.000 2.962 51 T HA -0.124 4.227 4.350 0.002 0.000 0.270 51 T C 1.180 175.882 174.700 0.004 0.000 1.088 51 T CA 0.907 63.011 62.100 0.006 0.000 1.127 51 T CB -0.057 68.834 68.868 0.039 0.000 0.883 51 T HN 0.638 nan 8.240 nan 0.000 0.493 52 E N 1.207 121.411 120.200 0.006 0.000 2.338 52 E HA -0.079 4.272 4.350 0.002 0.000 0.197 52 E C 0.606 177.225 176.600 0.030 0.000 1.007 52 E CA 0.610 57.018 56.400 0.015 0.000 0.849 52 E CB 0.123 29.838 29.700 0.025 0.000 0.774 52 E HN 0.630 nan 8.360 nan 0.000 0.506 53 Q N 0.026 119.846 119.800 0.033 0.000 3.230 53 Q HA 0.162 4.503 4.340 0.002 0.000 0.303 53 Q C 0.421 176.463 176.000 0.070 0.000 0.884 53 Q CA -0.428 55.410 55.803 0.059 0.000 0.859 53 Q CB 0.965 29.735 28.738 0.054 0.000 1.432 53 Q HN 0.167 nan 8.270 nan 0.000 0.403 54 M N -0.252 119.396 119.600 0.080 0.000 2.086 54 M HA -0.180 4.301 4.480 0.002 0.000 0.261 54 M C 1.765 178.140 176.300 0.125 0.000 1.067 54 M CA 1.822 57.179 55.300 0.095 0.000 1.116 54 M CB -0.761 31.907 32.600 0.113 0.000 1.348 54 M HN 0.589 nan 8.290 nan 0.000 0.407 55 Y N 2.059 122.383 120.300 0.040 0.000 2.053 55 Y HA -0.336 4.215 4.550 0.002 0.000 0.277 55 Y C 2.181 178.109 175.900 0.047 0.000 1.159 55 Y CA 2.227 60.351 58.100 0.040 0.000 1.125 55 Y CB -0.585 37.878 38.460 0.004 0.000 0.969 55 Y HN 0.338 nan 8.280 nan 0.000 0.492 56 N N -0.211 118.576 118.700 0.144 0.000 2.104 56 N HA -0.184 4.557 4.740 0.002 0.000 0.190 56 N C 2.051 177.547 175.510 -0.023 0.000 1.024 56 N CA 1.604 54.684 53.050 0.050 0.000 0.853 56 N CB -0.743 37.808 38.487 0.106 0.000 1.008 56 N HN 0.335 nan 8.380 nan 0.000 0.424 57 S N 1.080 116.780 115.700 0.000 0.000 2.353 57 S HA -0.036 4.435 4.470 0.002 0.000 0.222 57 S C 2.122 176.708 174.600 -0.022 0.000 1.035 57 S CA 0.835 59.028 58.200 -0.012 0.000 1.025 57 S CB -0.310 62.890 63.200 -0.001 0.000 0.902 57 S HN 0.245 nan 8.310 nan 0.000 0.440 58 L N 0.688 121.911 121.223 0.000 0.000 2.056 58 L HA -0.083 4.258 4.340 0.002 0.000 0.207 58 L C 2.533 179.424 176.870 0.034 0.000 1.078 58 L CA 0.809 55.705 54.840 0.093 0.000 0.749 58 L CB -0.446 41.701 42.059 0.145 0.000 0.901 58 L HN 0.309 nan 8.230 nan 0.000 0.433 59 M N -0.428 119.086 119.600 -0.143 0.000 2.213 59 M HA -0.197 4.284 4.480 0.002 0.000 0.263 59 M C 2.235 178.478 176.300 -0.095 0.000 1.062 59 M CA 1.549 56.753 55.300 -0.159 0.000 1.105 59 M CB -0.888 31.518 32.600 -0.323 0.000 1.385 59 M HN 0.035 nan 8.290 nan 0.000 0.417 60 K N 0.958 121.305 120.400 -0.088 0.000 2.097 60 K HA -0.069 4.252 4.320 0.002 0.000 0.205 60 K C 1.778 178.314 176.600 -0.106 0.000 1.050 60 K CA 0.855 57.099 56.287 -0.072 0.000 0.938 60 K CB -0.478 31.994 32.500 -0.048 0.000 0.718 60 K HN 0.447 nan 8.250 nan 0.000 0.442 61 I N -1.467 118.999 120.570 -0.173 0.000 2.353 61 I HA -0.141 4.030 4.170 0.002 0.000 0.248 61 I C 2.030 177.869 176.117 -0.463 0.000 1.119 61 I CA 1.374 62.497 61.300 -0.295 0.000 1.417 61 I CB -0.507 37.243 38.000 -0.417 0.000 1.078 61 I HN 0.041 nan 8.210 nan 0.000 0.421 62 S N 0.961 116.346 115.700 -0.525 0.000 2.392 62 S HA -0.288 4.183 4.470 0.002 0.000 0.232 62 S C 1.876 176.431 174.600 -0.076 0.000 1.041 62 S CA 2.145 60.214 58.200 -0.219 0.000 1.026 62 S CB -0.582 62.677 63.200 0.098 0.000 0.845 62 S HN 0.688 nan 8.310 nan 0.000 0.465 63 E N -0.310 119.844 120.200 -0.077 0.000 2.338 63 E HA -0.114 4.237 4.350 0.002 0.000 0.197 63 E C 2.157 178.711 176.600 -0.076 0.000 1.007 63 E CA 0.690 57.060 56.400 -0.049 0.000 0.849 63 E CB 0.027 29.701 29.700 -0.043 0.000 0.774 63 E HN 0.444 nan 8.360 nan 0.000 0.506 64 R N -0.979 119.451 120.500 -0.118 0.000 2.191 64 R HA 0.044 4.385 4.340 0.002 0.000 0.196 64 R C 1.151 177.237 176.300 -0.357 0.000 0.991 64 R CA 0.408 56.370 56.100 -0.231 0.000 1.075 64 R CB 0.279 30.432 30.300 -0.245 0.000 1.040 64 R HN 0.086 nan 8.270 nan 0.000 0.526 65 Y N -0.553 119.652 120.300 -0.158 0.000 2.507 65 Y HA 0.425 4.976 4.550 0.001 0.000 0.263 65 Y C 0.880 176.775 175.900 -0.009 0.000 1.093 65 Y CA 0.673 58.710 58.100 -0.105 0.000 1.285 65 Y CB 1.508 39.855 38.460 -0.188 0.000 1.115 65 Y HN 0.337 nan 8.280 nan 0.000 0.533 66 G N 0.185 109.057 108.800 0.121 0.000 2.384 66 G HA2 -0.129 3.832 3.960 0.002 0.000 0.668 66 G HA3 -0.129 3.832 3.960 0.002 0.000 0.668 66 G C -2.374 172.674 174.900 0.247 0.000 1.280 66 G CA -0.449 44.750 45.100 0.166 0.000 0.992 66 G HN -0.129 nan 8.290 nan 0.000 0.512 67 P HA 0.219 nan 4.420 nan 0.000 0.235 67 P C 0.452 177.915 177.300 0.272 0.000 1.177 67 P CA 0.743 63.996 63.100 0.255 0.000 0.785 67 P CB 0.428 32.242 31.700 0.189 0.000 0.885 68 V N 2.217 122.302 119.914 0.285 0.000 2.444 68 V HA 0.497 4.618 4.120 0.002 0.000 0.294 68 V C -0.413 175.738 176.094 0.095 0.000 1.022 68 V CA -0.619 61.783 62.300 0.170 0.000 0.850 68 V CB 1.016 33.043 31.823 0.340 0.000 0.992 68 V HN 0.068 nan 8.190 nan 0.000 0.426 69 F N 1.451 121.327 119.950 -0.123 0.000 2.654 69 F HA 0.765 5.292 4.527 0.001 0.000 0.308 69 F C -0.473 175.197 175.800 -0.217 0.000 1.108 69 F CA -0.783 57.100 58.000 -0.195 0.000 0.957 69 F CB 1.480 40.400 39.000 -0.133 0.000 1.309 69 F HN 0.229 nan 8.300 nan 0.000 0.446 70 T N 3.819 118.337 114.554 -0.061 0.000 2.771 70 T HA 0.614 4.965 4.350 0.002 0.000 0.291 70 T C -0.909 173.766 174.700 -0.041 0.000 0.954 70 T CA -0.085 61.923 62.100 -0.153 0.000 1.045 70 T CB 1.042 69.830 68.868 -0.133 0.000 0.917 70 T HN 0.620 nan 8.240 nan 0.000 0.484 71 I N 2.218 122.677 120.570 -0.186 0.000 2.740 71 I HA 0.409 4.580 4.170 0.002 0.000 0.303 71 I C -1.055 174.863 176.117 -0.331 0.000 1.044 71 I CA -0.954 60.281 61.300 -0.108 0.000 1.064 71 I CB 1.855 39.837 38.000 -0.029 0.000 1.249 71 I HN 0.624 nan 8.210 nan 0.000 0.433 72 H N 6.403 125.396 119.070 -0.128 0.000 2.638 72 H HA 0.469 5.026 4.556 0.002 0.000 0.303 72 H C -0.851 174.368 175.328 -0.181 0.000 1.034 72 H CA -0.387 55.574 56.048 -0.146 0.000 1.225 72 H CB 0.858 30.556 29.762 -0.106 0.000 1.394 72 H HN 0.319 nan 8.280 nan 0.000 0.477 73 L N 4.059 125.168 121.223 -0.191 0.000 2.387 73 L HA 0.244 4.585 4.340 0.002 0.000 0.267 73 L C 1.323 177.962 176.870 -0.384 0.000 1.197 73 L CA -0.183 54.499 54.840 -0.263 0.000 1.070 73 L CB -0.572 41.322 42.059 -0.275 0.000 1.349 73 L HN 0.993 nan 8.230 nan 0.000 0.422 74 G N 3.835 112.360 108.800 -0.459 0.000 2.634 74 G HA2 -0.316 3.645 3.960 0.002 0.000 0.309 74 G HA3 -0.316 3.645 3.960 0.002 0.000 0.309 74 G C -1.272 173.458 174.900 -0.285 0.000 1.265 74 G CA 0.270 45.028 45.100 -0.569 0.000 0.998 74 G HN 0.524 nan 8.290 nan 0.000 0.551 75 P HA 0.027 nan 4.420 nan 0.000 0.229 75 P C 0.830 178.098 177.300 -0.053 0.000 1.160 75 P CA 0.663 63.722 63.100 -0.068 0.000 0.777 75 P CB 0.095 31.803 31.700 0.014 0.000 0.814 76 R N 1.353 121.775 120.500 -0.131 0.000 2.343 76 R HA 0.132 4.473 4.340 0.002 0.000 0.326 76 R C 0.621 176.792 176.300 -0.216 0.000 1.055 76 R CA -0.118 55.893 56.100 -0.148 0.000 0.961 76 R CB 0.002 30.200 30.300 -0.171 0.000 0.978 76 R HN 0.034 nan 8.270 nan 0.000 0.443 77 R N 2.885 123.247 120.500 -0.229 0.000 2.221 77 R HA 0.273 4.614 4.340 0.002 0.000 0.327 77 R C -1.185 174.907 176.300 -0.347 0.000 1.033 77 R CA -0.341 55.512 56.100 -0.411 0.000 0.887 77 R CB 0.918 31.022 30.300 -0.326 0.000 1.057 77 R HN 0.283 nan 8.270 nan 0.000 0.455 78 V N 5.496 125.152 119.914 -0.430 0.000 2.638 78 V HA 0.298 4.419 4.120 0.002 0.000 0.306 78 V C -0.570 175.293 176.094 -0.385 0.000 1.052 78 V CA -0.931 61.132 62.300 -0.395 0.000 0.885 78 V CB 2.088 33.566 31.823 -0.576 0.000 0.999 78 V HN 0.545 nan 8.190 nan 0.000 0.424 79 V N 5.539 125.278 119.914 -0.292 0.000 2.432 79 V HA 0.361 4.482 4.120 0.002 0.000 0.275 79 V C -0.014 175.882 176.094 -0.330 0.000 1.043 79 V CA -0.306 61.816 62.300 -0.297 0.000 0.925 79 V CB 1.643 33.357 31.823 -0.183 0.000 0.985 79 V HN 0.618 nan 8.190 nan 0.000 0.466 80 V N 7.009 126.590 119.914 -0.555 0.000 2.398 80 V HA 0.457 4.578 4.120 0.002 0.000 0.286 80 V C -0.147 175.673 176.094 -0.457 0.000 1.026 80 V CA -0.538 61.412 62.300 -0.583 0.000 0.868 80 V CB 1.550 32.791 31.823 -0.969 0.000 0.982 80 V HN 0.625 nan 8.190 nan 0.000 0.443 81 L N 4.734 125.825 121.223 -0.221 0.000 2.294 81 L HA 0.545 4.886 4.340 0.002 0.000 0.283 81 L C -0.571 176.278 176.870 -0.036 0.000 1.015 81 L CA -0.191 54.587 54.840 -0.103 0.000 0.831 81 L CB 1.280 43.258 42.059 -0.135 0.000 1.217 81 L HN 0.600 nan 8.230 nan 0.000 0.420 82 C N 2.350 121.672 119.300 0.036 0.000 2.376 82 C HA 0.929 5.390 4.460 0.002 0.000 0.335 82 C C 0.872 175.919 174.990 0.096 0.000 1.229 82 C CA -0.599 58.466 59.018 0.078 0.000 1.867 82 C CB 0.668 28.486 27.740 0.129 0.000 2.319 82 C HN 1.079 nan 8.230 nan 0.000 0.515 83 G N 1.342 110.203 108.800 0.101 0.000 2.712 83 G HA2 -0.145 3.816 3.960 0.002 0.000 0.686 83 G HA3 -0.145 3.816 3.960 0.002 0.000 0.686 83 G C 0.391 175.357 174.900 0.109 0.000 1.321 83 G CA 0.271 45.451 45.100 0.133 0.000 0.813 83 G HN 1.092 nan 8.290 nan 0.000 0.599 84 H N 0.679 119.778 119.070 0.047 0.000 2.319 84 H HA -0.107 4.450 4.556 0.002 0.000 0.299 84 H C 2.053 177.388 175.328 0.010 0.000 1.092 84 H CA 2.498 58.514 56.048 -0.054 0.000 1.302 84 H CB 0.074 29.671 29.762 -0.275 0.000 1.373 84 H HN 0.569 nan 8.280 nan 0.000 0.497 85 D N 0.803 121.229 120.400 0.043 0.000 2.104 85 D HA -0.102 4.539 4.640 0.002 0.000 0.194 85 D C 2.386 178.669 176.300 -0.029 0.000 0.994 85 D CA 1.555 55.556 54.000 0.001 0.000 0.830 85 D CB -0.656 40.245 40.800 0.167 0.000 0.959 85 D HN 0.518 nan 8.370 nan 0.000 0.452 86 A N 0.561 123.412 122.820 0.051 0.000 1.877 86 A HA -0.152 4.169 4.320 0.002 0.000 0.216 86 A C 2.556 180.158 177.584 0.029 0.000 1.186 86 A CA 1.553 53.674 52.037 0.140 0.000 0.620 86 A CB -0.837 18.262 19.000 0.164 0.000 0.822 86 A HN 0.151 nan 8.150 nan 0.000 0.443 87 V N -0.175 119.685 119.914 -0.089 0.000 2.295 87 V HA -0.242 3.879 4.120 0.002 0.000 0.246 87 V C 2.659 178.620 176.094 -0.223 0.000 1.049 87 V CA 2.323 64.518 62.300 -0.176 0.000 1.024 87 V CB -0.801 30.942 31.823 -0.133 0.000 0.648 87 V HN 0.639 nan 8.190 nan 0.000 0.447 88 R N -0.110 120.225 120.500 -0.276 0.000 2.075 88 R HA -0.175 4.166 4.340 0.002 0.000 0.232 88 R C 2.331 178.550 176.300 -0.135 0.000 1.126 88 R CA 1.757 57.702 56.100 -0.260 0.000 0.963 88 R CB -0.176 29.843 30.300 -0.468 0.000 0.858 88 R HN 0.607 nan 8.270 nan 0.000 0.435 89 E N -0.328 119.834 120.200 -0.064 0.000 2.118 89 E HA -0.205 4.146 4.350 0.002 0.000 0.195 89 E C 1.828 178.492 176.600 0.106 0.000 0.992 89 E CA 1.370 57.818 56.400 0.081 0.000 0.804 89 E CB -0.050 29.747 29.700 0.162 0.000 0.741 89 E HN 0.461 nan 8.360 nan 0.000 0.458 90 A N 0.436 123.162 122.820 -0.156 0.000 1.843 90 A HA -0.100 4.221 4.320 0.002 0.000 0.213 90 A C 1.976 179.196 177.584 -0.608 0.000 1.202 90 A CA 0.952 52.452 52.037 -0.896 0.000 0.607 90 A CB -0.360 17.516 19.000 -1.874 0.000 0.847 90 A HN 0.108 nan 8.150 nan 0.000 0.445 91 L N -0.737 120.251 121.223 -0.391 0.000 2.341 91 L HA 0.027 4.368 4.340 0.002 0.000 0.214 91 L C 1.987 178.824 176.870 -0.055 0.000 1.115 91 L CA 0.942 55.676 54.840 -0.176 0.000 0.820 91 L CB 0.099 42.072 42.059 -0.143 0.000 0.944 91 L HN 0.227 nan 8.230 nan 0.000 0.452 92 V N -1.826 118.056 119.914 -0.054 0.000 2.854 92 V HA 0.029 4.150 4.120 0.002 0.000 0.236 92 V C 1.622 177.736 176.094 0.033 0.000 1.157 92 V CA 0.625 62.926 62.300 0.002 0.000 1.187 92 V CB -0.175 31.651 31.823 0.004 0.000 0.949 92 V HN 0.196 nan 8.190 nan 0.000 0.488 93 D N 0.483 120.905 120.400 0.037 0.000 2.224 93 D HA -0.085 4.556 4.640 0.002 0.000 0.205 93 D C 1.348 177.713 176.300 0.109 0.000 0.965 93 D CA 0.964 55.007 54.000 0.071 0.000 0.852 93 D CB 0.003 40.847 40.800 0.073 0.000 0.947 93 D HN 0.479 nan 8.370 nan 0.000 0.494 94 Q N -0.186 119.700 119.800 0.143 0.000 2.324 94 Q HA 0.473 4.814 4.340 0.002 0.000 0.373 94 Q C 0.897 177.038 176.000 0.235 0.000 0.909 94 Q CA -0.358 55.580 55.803 0.224 0.000 1.135 94 Q CB 1.373 30.343 28.738 0.387 0.000 1.313 94 Q HN 0.047 nan 8.270 nan 0.000 0.417 95 A N 0.876 123.778 122.820 0.137 0.000 1.873 95 A HA -0.288 4.033 4.320 0.002 0.000 0.218 95 A C 1.994 179.652 177.584 0.123 0.000 1.193 95 A CA 2.118 54.223 52.037 0.113 0.000 0.629 95 A CB -0.150 18.893 19.000 0.072 0.000 0.826 95 A HN 0.451 nan 8.150 nan 0.000 0.447 96 E N 0.165 120.423 120.200 0.095 0.000 2.051 96 E HA -0.201 4.150 4.350 0.002 0.000 0.192 96 E C 1.856 178.483 176.600 0.045 0.000 0.991 96 E CA 1.960 58.398 56.400 0.062 0.000 0.799 96 E CB -0.378 29.351 29.700 0.048 0.000 0.748 96 E HN 0.709 nan 8.360 nan 0.000 0.449 97 E N -1.099 119.133 120.200 0.053 0.000 2.085 97 E HA -0.165 4.186 4.350 0.002 0.000 0.194 97 E C 1.094 177.572 176.600 -0.205 0.000 0.994 97 E CA 1.154 57.511 56.400 -0.072 0.000 0.801 97 E CB -0.197 29.460 29.700 -0.072 0.000 0.743 97 E HN 0.319 nan 8.360 nan 0.000 0.453 98 F N 0.003 119.921 119.950 -0.053 0.000 2.645 98 F HA 0.084 4.612 4.527 0.002 0.000 0.300 98 F C 1.694 177.462 175.800 -0.052 0.000 1.115 98 F CA -0.018 57.934 58.000 -0.078 0.000 1.355 98 F CB 0.393 39.319 39.000 -0.122 0.000 1.026 98 F HN -0.064 nan 8.300 nan 0.000 0.536 99 S N -1.322 114.426 115.700 0.080 0.000 2.593 99 S HA 0.206 4.677 4.470 0.002 0.000 0.217 99 S C 1.235 175.850 174.600 0.025 0.000 0.966 99 S CA -0.021 58.212 58.200 0.054 0.000 0.914 99 S CB -0.515 62.712 63.200 0.044 0.000 0.776 99 S HN 0.189 nan 8.310 nan 0.000 0.523 100 G N 1.179 109.981 108.800 0.003 0.000 2.599 100 G HA2 0.485 4.446 3.960 0.002 0.000 0.264 100 G HA3 0.485 4.446 3.960 0.002 0.000 0.264 100 G C -0.567 174.339 174.900 0.011 0.000 1.200 100 G CA -1.040 44.057 45.100 -0.005 0.000 0.896 100 G HN 0.514 nan 8.290 nan 0.000 0.536 101 R N -0.052 120.456 120.500 0.014 0.000 2.393 101 R HA 0.569 4.910 4.340 0.002 0.000 0.315 101 R C 0.631 176.964 176.300 0.055 0.000 0.952 101 R CA 0.047 56.164 56.100 0.029 0.000 0.842 101 R CB 0.991 31.300 30.300 0.014 0.000 1.163 101 R HN 0.670 nan 8.270 nan 0.000 0.450 102 G N 2.084 110.931 108.800 0.078 0.000 2.504 102 G HA2 0.195 4.156 3.960 0.002 0.000 0.257 102 G HA3 0.195 4.156 3.960 0.002 0.000 0.257 102 G C -0.851 174.139 174.900 0.149 0.000 1.451 102 G CA -0.630 44.529 45.100 0.098 0.000 1.059 102 G HN 0.655 nan 8.290 nan 0.000 0.550 103 E N -0.270 120.020 120.200 0.151 0.000 2.266 103 E HA 0.334 4.685 4.350 0.002 0.000 0.277 103 E C -0.686 176.030 176.600 0.194 0.000 1.018 103 E CA -0.366 56.127 56.400 0.156 0.000 0.840 103 E CB 1.599 31.357 29.700 0.097 0.000 1.082 103 E HN 0.143 nan 8.360 nan 0.000 0.395 104 Q N 1.679 121.584 119.800 0.175 0.000 2.394 104 Q HA 0.283 4.624 4.340 0.002 0.000 0.261 104 Q C -0.160 175.865 176.000 0.043 0.000 1.023 104 Q CA -0.314 55.554 55.803 0.109 0.000 0.720 104 Q CB 1.673 30.498 28.738 0.145 0.000 1.241 104 Q HN 0.755 nan 8.270 nan 0.000 0.483 105 A N 2.927 125.806 122.820 0.099 0.000 1.908 105 A HA -0.163 4.158 4.320 0.002 0.000 0.218 105 A C 1.758 179.569 177.584 0.378 0.000 1.181 105 A CA 2.381 54.528 52.037 0.183 0.000 0.627 105 A CB -0.257 18.784 19.000 0.068 0.000 0.818 105 A HN 0.720 nan 8.150 nan 0.000 0.445 106 T N -0.522 114.213 114.554 0.302 0.000 2.652 106 T HA -0.138 4.213 4.350 0.002 0.000 0.267 106 T C 1.568 176.227 174.700 -0.068 0.000 1.039 106 T CA 1.802 63.949 62.100 0.078 0.000 1.153 106 T CB -0.483 68.269 68.868 -0.194 0.000 0.863 106 T HN 0.487 nan 8.240 nan 0.000 0.428 107 F N 1.135 121.056 119.950 -0.049 0.000 2.206 107 F HA -0.003 4.525 4.527 0.002 0.000 0.298 107 F C 2.367 178.065 175.800 -0.170 0.000 1.090 107 F CA 0.862 58.761 58.000 -0.168 0.000 1.323 107 F CB -0.316 38.408 39.000 -0.460 0.000 1.028 107 F HN 0.174 nan 8.300 nan 0.000 0.492 108 D N -0.521 119.828 120.400 -0.085 0.000 2.221 108 D HA -0.289 4.352 4.640 0.002 0.000 0.204 108 D C 1.988 178.312 176.300 0.041 0.000 0.982 108 D CA 1.166 55.145 54.000 -0.034 0.000 0.857 108 D CB -0.298 40.493 40.800 -0.014 0.000 0.934 108 D HN 0.366 nan 8.370 nan 0.000 0.475 109 W N 0.003 121.236 121.300 -0.111 0.000 2.305 109 W HA -0.262 4.399 4.660 0.001 0.000 0.308 109 W C 2.145 178.521 176.519 -0.238 0.000 1.226 109 W CA 1.857 59.055 57.345 -0.246 0.000 1.253 109 W CB -0.428 28.728 29.460 -0.507 0.000 1.146 109 W HN 0.003 nan 8.180 nan 0.000 0.507 110 V N -0.490 119.443 119.914 0.032 0.000 2.575 110 V HA -0.087 4.034 4.120 0.002 0.000 0.242 110 V C 1.851 177.754 176.094 -0.319 0.000 1.045 110 V CA 1.701 63.872 62.300 -0.215 0.000 1.065 110 V CB -0.517 31.197 31.823 -0.182 0.000 0.717 110 V HN 0.125 nan 8.190 nan 0.000 0.467 111 F N 0.553 120.510 119.950 0.011 0.000 2.335 111 F HA 0.171 4.699 4.527 0.002 0.000 0.296 111 F C 1.621 177.503 175.800 0.137 0.000 1.091 111 F CA 0.748 58.795 58.000 0.078 0.000 1.399 111 F CB -0.271 38.776 39.000 0.079 0.000 1.067 111 F HN 0.038 nan 8.300 nan 0.000 0.520 112 K N 0.304 120.812 120.400 0.180 0.000 2.975 112 K HA -0.243 4.078 4.320 0.002 0.000 0.257 112 K C 0.946 177.592 176.600 0.076 0.000 1.005 112 K CA 0.411 56.770 56.287 0.121 0.000 0.738 112 K CB -1.988 30.581 32.500 0.116 0.000 1.236 112 K HN 0.621 nan 8.250 nan 0.000 0.483 113 G N -1.898 106.966 108.800 0.107 0.000 2.176 113 G HA2 -0.346 3.615 3.960 0.002 0.000 0.253 113 G HA3 -0.346 3.615 3.960 0.002 0.000 0.253 113 G C -0.084 174.752 174.900 -0.108 0.000 0.979 113 G CA 0.338 45.431 45.100 -0.010 0.000 0.641 113 G HN 0.335 nan 8.290 nan 0.000 0.530 114 Y N 0.415 120.830 120.300 0.193 0.000 2.354 114 Y HA 0.524 5.076 4.550 0.002 0.000 0.322 114 Y C 1.186 177.208 175.900 0.203 0.000 1.253 114 Y CA 0.454 58.660 58.100 0.177 0.000 1.272 114 Y CB 1.431 39.998 38.460 0.178 0.000 1.255 114 Y HN 1.219 nan 8.280 nan 0.000 0.500 115 G N -0.188 108.787 108.800 0.291 0.000 2.746 115 G HA2 -0.190 3.771 3.960 0.002 0.000 0.685 115 G HA3 -0.190 3.771 3.960 0.002 0.000 0.685 115 G C 0.260 175.220 174.900 0.101 0.000 1.350 115 G CA -0.419 44.798 45.100 0.196 0.000 0.837 115 G HN 0.872 nan 8.290 nan 0.000 0.564 116 V N 0.570 120.539 119.914 0.091 0.000 2.343 116 V HA -0.134 3.987 4.120 0.002 0.000 0.247 116 V C 2.939 179.001 176.094 -0.053 0.000 1.051 116 V CA 3.165 65.515 62.300 0.084 0.000 1.036 116 V CB -0.466 31.497 31.823 0.232 0.000 0.654 116 V HN 1.053 nan 8.190 nan 0.000 0.451 117 V N -0.477 119.288 119.914 -0.247 0.000 2.307 117 V HA -0.174 3.947 4.120 0.002 0.000 0.245 117 V C 2.061 177.760 176.094 -0.658 0.000 1.045 117 V CA 2.525 64.473 62.300 -0.586 0.000 1.024 117 V CB -0.729 30.491 31.823 -1.006 0.000 0.651 117 V HN 0.581 nan 8.190 nan 0.000 0.449 118 F N 0.432 120.276 119.950 -0.176 0.000 2.727 118 F HA 0.201 4.729 4.527 0.002 0.000 0.302 118 F C 1.559 177.334 175.800 -0.043 0.000 1.097 118 F CA 0.092 58.034 58.000 -0.096 0.000 1.330 118 F CB -0.194 38.752 39.000 -0.089 0.000 1.084 118 F HN 0.135 nan 8.300 nan 0.000 0.578 119 S N -0.227 115.509 115.700 0.060 0.000 2.661 119 S HA 0.377 4.848 4.470 0.002 0.000 0.265 119 S C -0.131 174.474 174.600 0.008 0.000 1.225 119 S CA -0.716 57.499 58.200 0.027 0.000 0.986 119 S CB 1.275 64.484 63.200 0.014 0.000 1.008 119 S HN 0.121 nan 8.310 nan 0.000 0.565 120 N N -1.228 117.468 118.700 -0.006 0.000 2.571 120 N HA 0.579 5.320 4.740 0.002 0.000 0.273 120 N C 0.563 176.067 175.510 -0.009 0.000 1.340 120 N CA 0.307 53.354 53.050 -0.005 0.000 0.789 120 N CB 1.581 40.064 38.487 -0.007 0.000 1.514 120 N HN 1.047 nan 8.380 nan 0.000 0.499 121 G N 1.418 110.215 108.800 -0.005 0.000 2.614 121 G HA2 -0.391 3.570 3.960 0.002 0.000 0.303 121 G HA3 -0.391 3.570 3.960 0.002 0.000 0.303 121 G C 0.892 175.790 174.900 -0.004 0.000 1.270 121 G CA 1.242 46.340 45.100 -0.004 0.000 0.988 121 G HN 0.693 nan 8.290 nan 0.000 0.551 122 E N 0.129 120.327 120.200 -0.004 0.000 2.204 122 E HA -0.088 4.263 4.350 0.002 0.000 0.195 122 E C 2.446 179.029 176.600 -0.027 0.000 0.990 122 E CA 1.993 58.389 56.400 -0.006 0.000 0.821 122 E CB -0.206 29.496 29.700 0.004 0.000 0.750 122 E HN 0.582 nan 8.360 nan 0.000 0.477 123 R N -0.218 120.266 120.500 -0.028 0.000 2.064 123 R HA -0.089 4.252 4.340 0.002 0.000 0.228 123 R C 2.293 178.566 176.300 -0.044 0.000 1.144 123 R CA 1.533 57.602 56.100 -0.050 0.000 0.932 123 R CB -0.574 29.708 30.300 -0.030 0.000 0.833 123 R HN 0.254 nan 8.270 nan 0.000 0.429 124 A N 1.530 124.341 122.820 -0.014 0.000 1.892 124 A HA -0.266 4.055 4.320 0.002 0.000 0.218 124 A C 2.131 179.723 177.584 0.013 0.000 1.188 124 A CA 1.967 54.009 52.037 0.008 0.000 0.631 124 A CB -0.671 18.336 19.000 0.011 0.000 0.822 124 A HN 0.455 nan 8.150 nan 0.000 0.447 125 K N -1.134 119.268 120.400 0.004 0.000 2.057 125 K HA -0.195 4.126 4.320 0.002 0.000 0.207 125 K C 2.173 178.780 176.600 0.011 0.000 1.049 125 K CA 1.556 57.849 56.287 0.010 0.000 0.931 125 K CB -0.177 32.330 32.500 0.011 0.000 0.714 125 K HN 0.471 nan 8.250 nan 0.000 0.440 126 Q N 0.540 120.328 119.800 -0.020 0.000 2.083 126 Q HA -0.067 4.274 4.340 0.002 0.000 0.198 126 Q C 2.320 178.313 176.000 -0.011 0.000 0.969 126 Q CA 1.054 56.841 55.803 -0.026 0.000 0.838 126 Q CB -0.074 28.569 28.738 -0.158 0.000 0.900 126 Q HN 0.383 nan 8.270 nan 0.000 0.436 127 L N 0.136 121.318 121.223 -0.069 0.000 2.056 127 L HA -0.119 4.222 4.340 0.002 0.000 0.207 127 L C 2.736 179.722 176.870 0.195 0.000 1.078 127 L CA 1.000 55.886 54.840 0.077 0.000 0.749 127 L CB -0.411 41.698 42.059 0.082 0.000 0.901 127 L HN 0.156 nan 8.230 nan 0.000 0.433 128 R N 0.484 121.034 120.500 0.082 0.000 2.073 128 R HA -0.192 4.149 4.340 0.002 0.000 0.234 128 R C 2.503 178.708 176.300 -0.157 0.000 1.134 128 R CA 1.471 57.535 56.100 -0.059 0.000 0.952 128 R CB -0.165 30.126 30.300 -0.015 0.000 0.850 128 R HN 0.195 nan 8.270 nan 0.000 0.433 129 R N -0.379 120.108 120.500 -0.021 0.000 2.094 129 R HA -0.213 4.128 4.340 0.002 0.000 0.239 129 R C 2.183 178.507 176.300 0.040 0.000 1.137 129 R CA 2.119 58.217 56.100 -0.003 0.000 0.943 129 R CB -0.550 29.785 30.300 0.059 0.000 0.850 129 R HN 0.298 nan 8.270 nan 0.000 0.433 130 F N 1.059 121.033 119.950 0.041 0.000 2.095 130 F HA -0.234 4.294 4.527 0.002 0.000 0.298 130 F C 2.381 178.233 175.800 0.087 0.000 1.104 130 F CA 2.061 60.104 58.000 0.072 0.000 1.232 130 F CB -0.265 38.874 39.000 0.232 0.000 0.987 130 F HN 0.023 nan 8.300 nan 0.000 0.475 131 S N 1.124 116.951 115.700 0.212 0.000 2.351 131 S HA -0.221 4.250 4.470 0.002 0.000 0.220 131 S C 2.037 176.651 174.600 0.023 0.000 1.035 131 S CA 1.784 60.166 58.200 0.302 0.000 1.031 131 S CB -0.643 62.756 63.200 0.332 0.000 0.928 131 S HN 0.403 nan 8.310 nan 0.000 0.433 132 I N 1.776 122.167 120.570 -0.300 0.000 2.145 132 I HA -0.319 3.852 4.170 0.002 0.000 0.244 132 I C 2.690 178.731 176.117 -0.126 0.000 1.075 132 I CA 1.398 62.547 61.300 -0.253 0.000 1.332 132 I CB -0.543 37.253 38.000 -0.340 0.000 1.033 132 I HN 0.292 nan 8.210 nan 0.000 0.410 133 A N -0.048 122.668 122.820 -0.173 0.000 1.902 133 A HA -0.194 4.127 4.320 0.002 0.000 0.217 133 A C 2.363 179.824 177.584 -0.204 0.000 1.181 133 A CA 2.427 54.358 52.037 -0.178 0.000 0.623 133 A CB -1.042 17.841 19.000 -0.195 0.000 0.818 133 A HN 0.410 nan 8.150 nan 0.000 0.443 134 T N 0.018 114.381 114.554 -0.320 0.000 2.951 134 T HA -0.013 4.338 4.350 0.002 0.000 0.268 134 T C 1.673 176.451 174.700 0.130 0.000 1.073 134 T CA 1.060 63.005 62.100 -0.258 0.000 1.134 134 T CB -0.203 68.215 68.868 -0.750 0.000 0.884 134 T HN 0.183 nan 8.240 nan 0.000 0.479 135 L N 1.329 122.650 121.223 0.163 0.000 2.005 135 L HA 0.082 4.423 4.340 0.002 0.000 0.207 135 L C 2.496 179.446 176.870 0.133 0.000 1.072 135 L CA 1.569 56.542 54.840 0.223 0.000 0.744 135 L CB -0.804 41.373 42.059 0.197 0.000 0.895 135 L HN 0.133 nan 8.230 nan 0.000 0.433 136 R N -0.271 120.256 120.500 0.045 0.000 2.119 136 R HA -0.224 4.117 4.340 0.002 0.000 0.246 136 R C 1.865 178.140 176.300 -0.041 0.000 1.146 136 R CA 1.679 57.778 56.100 -0.003 0.000 0.962 136 R CB -0.673 29.607 30.300 -0.034 0.000 0.863 136 R HN 0.418 nan 8.270 nan 0.000 0.442 137 D N 0.140 120.483 120.400 -0.096 0.000 2.123 137 D HA -0.150 4.491 4.640 0.002 0.000 0.196 137 D C 1.148 177.235 176.300 -0.354 0.000 0.992 137 D CA 1.280 55.124 54.000 -0.260 0.000 0.833 137 D CB -0.181 40.381 40.800 -0.397 0.000 0.954 137 D HN 0.183 nan 8.370 nan 0.000 0.455 138 F N -0.540 119.409 119.950 -0.002 0.000 2.676 138 F HA 0.330 4.858 4.527 0.002 0.000 0.300 138 F C 1.824 177.637 175.800 0.023 0.000 1.160 138 F CA 0.267 58.281 58.000 0.023 0.000 1.401 138 F CB 0.501 39.536 39.000 0.057 0.000 1.037 138 F HN 0.058 nan 8.300 nan 0.000 0.522 139 G N -0.850 108.004 108.800 0.090 0.000 2.253 139 G HA2 -0.240 3.721 3.960 0.002 0.000 0.209 139 G HA3 -0.240 3.721 3.960 0.002 0.000 0.209 139 G C 0.125 175.048 174.900 0.038 0.000 0.997 139 G CA -0.248 44.886 45.100 0.057 0.000 0.640 139 G HN 0.037 nan 8.290 nan 0.000 0.496 140 V N 1.806 121.753 119.914 0.055 0.000 2.644 140 V HA 0.367 4.488 4.120 0.002 0.000 0.305 140 V C 1.935 178.029 176.094 0.000 0.000 1.053 140 V CA 1.875 64.192 62.300 0.028 0.000 1.186 140 V CB 0.538 32.396 31.823 0.057 0.000 0.895 140 V HN 2.072 nan 8.190 nan 0.000 0.490 141 G N 3.785 112.566 108.800 -0.032 0.000 2.153 141 G HA2 -0.247 3.714 3.960 0.002 0.000 0.252 141 G HA3 -0.247 3.714 3.960 0.002 0.000 0.252 141 G C 0.040 174.937 174.900 -0.006 0.000 0.994 141 G CA 0.693 45.777 45.100 -0.027 0.000 0.698 141 G HN 0.675 nan 8.290 nan 0.000 0.521 142 K N -1.813 118.580 120.400 -0.011 0.000 2.466 142 K HA 0.539 4.860 4.320 0.002 0.000 0.260 142 K C 1.079 177.681 176.600 0.003 0.000 1.011 142 K CA -1.191 55.097 56.287 0.002 0.000 0.871 142 K CB 1.032 33.531 32.500 -0.002 0.000 1.404 142 K HN -0.070 nan 8.250 nan 0.000 0.450 143 R N 0.781 121.288 120.500 0.012 0.000 2.096 143 R HA -0.107 4.234 4.340 0.002 0.000 0.235 143 R C 1.792 178.100 176.300 0.013 0.000 1.127 143 R CA 2.047 58.157 56.100 0.016 0.000 0.968 143 R CB -0.707 29.604 30.300 0.018 0.000 0.861 143 R HN 0.981 nan 8.270 nan 0.000 0.440 144 G N 1.228 110.036 108.800 0.014 0.000 2.599 144 G HA2 -0.315 3.646 3.960 0.002 0.000 0.219 144 G HA3 -0.315 3.646 3.960 0.002 0.000 0.219 144 G C 1.376 176.294 174.900 0.030 0.000 1.193 144 G CA 1.013 46.129 45.100 0.025 0.000 0.778 144 G HN 0.329 nan 8.290 nan 0.000 0.589 145 I N 0.617 121.198 120.570 0.018 0.000 2.406 145 I HA 0.032 4.203 4.170 0.002 0.000 0.249 145 I C 2.537 178.639 176.117 -0.026 0.000 1.122 145 I CA 1.377 62.681 61.300 0.008 0.000 1.431 145 I CB -0.271 37.728 38.000 -0.003 0.000 1.087 145 I HN 0.441 nan 8.210 nan 0.000 0.424 146 E N 0.508 120.684 120.200 -0.040 0.000 2.049 146 E HA -0.313 4.038 4.350 0.002 0.000 0.198 146 E C 2.063 178.654 176.600 -0.016 0.000 1.007 146 E CA 1.896 58.271 56.400 -0.043 0.000 0.809 146 E CB -0.212 29.487 29.700 -0.003 0.000 0.749 146 E HN 0.548 nan 8.360 nan 0.000 0.450 147 E N -0.120 120.082 120.200 0.005 0.000 2.070 147 E HA -0.237 4.114 4.350 0.002 0.000 0.197 147 E C 2.379 178.988 176.600 0.015 0.000 1.004 147 E CA 0.872 57.279 56.400 0.011 0.000 0.805 147 E CB -0.054 29.659 29.700 0.021 0.000 0.744 147 E HN 0.169 nan 8.360 nan 0.000 0.451 148 R N 0.372 120.891 120.500 0.031 0.000 2.073 148 R HA -0.117 4.224 4.340 0.002 0.000 0.234 148 R C 2.403 178.745 176.300 0.070 0.000 1.134 148 R CA 0.961 57.099 56.100 0.063 0.000 0.952 148 R CB -0.500 29.850 30.300 0.083 0.000 0.850 148 R HN 0.245 nan 8.270 nan 0.000 0.433 149 I N 0.982 121.562 120.570 0.017 0.000 2.090 149 I HA -0.342 3.829 4.170 0.002 0.000 0.236 149 I C 2.608 178.719 176.117 -0.010 0.000 1.064 149 I CA 1.450 62.724 61.300 -0.042 0.000 1.324 149 I CB -0.563 37.286 38.000 -0.251 0.000 1.044 149 I HN 0.203 nan 8.210 nan 0.000 0.399 150 Q N 0.379 120.157 119.800 -0.037 0.000 2.103 150 Q HA -0.356 3.985 4.340 0.002 0.000 0.213 150 Q C 2.204 178.184 176.000 -0.033 0.000 1.008 150 Q CA 2.566 58.362 55.803 -0.011 0.000 0.879 150 Q CB -0.368 28.366 28.738 -0.007 0.000 0.946 150 Q HN 0.529 nan 8.270 nan 0.000 0.413 151 E N 0.319 120.478 120.200 -0.069 0.000 2.051 151 E HA -0.261 4.090 4.350 0.002 0.000 0.192 151 E C 1.894 178.296 176.600 -0.330 0.000 0.991 151 E CA 1.342 57.602 56.400 -0.234 0.000 0.799 151 E CB 0.046 29.649 29.700 -0.161 0.000 0.748 151 E HN 0.192 nan 8.360 nan 0.000 0.449 152 E N 0.440 120.658 120.200 0.030 0.000 2.051 152 E HA -0.142 4.209 4.350 0.002 0.000 0.192 152 E C 1.814 178.604 176.600 0.317 0.000 0.991 152 E CA 1.463 58.033 56.400 0.284 0.000 0.799 152 E CB -0.485 29.483 29.700 0.446 0.000 0.748 152 E HN 0.369 nan 8.360 nan 0.000 0.449 153 A N 0.319 123.388 122.820 0.415 0.000 1.940 153 A HA -0.235 4.086 4.320 0.002 0.000 0.221 153 A C 2.474 180.162 177.584 0.173 0.000 1.190 153 A CA 2.362 54.634 52.037 0.393 0.000 0.647 153 A CB -1.601 17.602 19.000 0.338 0.000 0.821 153 A HN 0.437 nan 8.150 nan 0.000 0.457 154 G N -1.315 107.479 108.800 -0.010 0.000 2.421 154 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 154 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 154 G C 1.446 176.342 174.900 -0.007 0.000 1.171 154 G CA 1.031 46.076 45.100 -0.092 0.000 0.775 154 G HN 0.551 nan 8.290 nan 0.000 0.543 155 F N 0.022 120.029 119.950 0.094 0.000 2.202 155 F HA -0.056 4.472 4.527 0.002 0.000 0.301 155 F C 2.428 178.339 175.800 0.185 0.000 1.082 155 F CA 0.375 58.401 58.000 0.043 0.000 1.313 155 F CB -0.192 38.727 39.000 -0.135 0.000 1.024 155 F HN 0.158 nan 8.300 nan 0.000 0.495 156 L N 0.406 121.858 121.223 0.382 0.000 2.044 156 L HA -0.157 4.184 4.340 0.002 0.000 0.205 156 L C 2.143 179.125 176.870 0.187 0.000 1.075 156 L CA 1.540 56.553 54.840 0.289 0.000 0.747 156 L CB -0.759 41.387 42.059 0.144 0.000 0.903 156 L HN -0.020 nan 8.230 nan 0.000 0.435 157 I N 0.271 120.965 120.570 0.207 0.000 2.127 157 I HA -0.293 3.878 4.170 0.002 0.000 0.241 157 I C 2.202 178.470 176.117 0.251 0.000 1.075 157 I CA 1.481 62.945 61.300 0.272 0.000 1.334 157 I CB -1.629 36.497 38.000 0.210 0.000 1.040 157 I HN 0.312 nan 8.210 nan 0.000 0.405 158 D N 1.243 121.770 120.400 0.211 0.000 2.133 158 D HA -0.159 4.482 4.640 0.002 0.000 0.195 158 D C 2.236 178.652 176.300 0.193 0.000 0.997 158 D CA 1.698 55.813 54.000 0.193 0.000 0.840 158 D CB -0.198 40.723 40.800 0.200 0.000 0.947 158 D HN 0.373 nan 8.370 nan 0.000 0.452 159 A N 0.370 123.333 122.820 0.239 0.000 1.930 159 A HA -0.060 4.261 4.320 0.002 0.000 0.217 159 A C 2.374 180.021 177.584 0.104 0.000 1.175 159 A CA 0.739 52.944 52.037 0.279 0.000 0.627 159 A CB -0.572 18.718 19.000 0.484 0.000 0.815 159 A HN 0.191 nan 8.150 nan 0.000 0.443 160 L N -1.317 119.849 121.223 -0.096 0.000 2.095 160 L HA -0.080 4.261 4.340 0.002 0.000 0.204 160 L C 2.772 179.504 176.870 -0.230 0.000 1.080 160 L CA 0.790 55.334 54.840 -0.493 0.000 0.759 160 L CB -0.452 40.965 42.059 -1.071 0.000 0.914 160 L HN 0.333 nan 8.230 nan 0.000 0.439 161 R N 0.130 120.719 120.500 0.149 0.000 2.117 161 R HA -0.156 4.185 4.340 0.002 0.000 0.243 161 R C 2.213 178.581 176.300 0.114 0.000 1.143 161 R CA 1.387 57.629 56.100 0.238 0.000 0.968 161 R CB -0.713 29.733 30.300 0.243 0.000 0.863 161 R HN 0.428 nan 8.270 nan 0.000 0.444 162 G N 0.334 109.188 108.800 0.090 0.000 2.509 162 G HA2 -0.240 3.721 3.960 0.002 0.000 0.218 162 G HA3 -0.240 3.721 3.960 0.002 0.000 0.218 162 G C 1.451 176.392 174.900 0.068 0.000 1.124 162 G CA 1.174 46.327 45.100 0.090 0.000 0.776 162 G HN 0.460 nan 8.290 nan 0.000 0.547 163 T N -2.287 112.278 114.554 0.017 0.000 2.995 163 T HA 0.264 4.615 4.350 0.002 0.000 0.269 163 T C 1.977 176.689 174.700 0.020 0.000 1.091 163 T CA 1.018 63.119 62.100 0.002 0.000 1.128 163 T CB -0.287 68.519 68.868 -0.103 0.000 0.891 163 T HN 1.276 nan 8.240 nan 0.000 0.492 164 G N 1.139 109.962 108.800 0.037 0.000 2.273 164 G HA2 0.126 4.087 3.960 0.002 0.000 0.280 164 G HA3 0.126 4.087 3.960 0.002 0.000 0.280 164 G C 1.043 175.970 174.900 0.044 0.000 1.047 164 G CA 0.418 45.548 45.100 0.051 0.000 0.869 164 G HN 1.777 nan 8.290 nan 0.000 0.502 165 G N -1.944 106.879 108.800 0.039 0.000 2.148 165 G HA2 0.151 4.112 3.960 0.002 0.000 0.254 165 G HA3 0.151 4.112 3.960 0.002 0.000 0.254 165 G C 0.954 175.854 174.900 0.000 0.000 0.981 165 G CA 1.111 46.229 45.100 0.030 0.000 0.670 165 G HN 2.355 nan 8.290 nan 0.000 0.528 166 A N -0.180 122.638 122.820 -0.003 0.000 2.466 166 A HA 0.452 4.773 4.320 0.002 0.000 0.238 166 A C 0.812 178.384 177.584 -0.020 0.000 1.074 166 A CA 0.461 52.496 52.037 -0.004 0.000 0.774 166 A CB 0.215 19.221 19.000 0.010 0.000 1.015 166 A HN 0.685 nan 8.150 nan 0.000 0.498 167 N N 0.853 119.545 118.700 -0.014 0.000 2.415 167 N HA 0.343 5.084 4.740 0.002 0.000 0.250 167 N C -0.805 174.704 175.510 -0.001 0.000 1.127 167 N CA -0.127 52.911 53.050 -0.020 0.000 0.945 167 N CB -0.135 38.344 38.487 -0.014 0.000 1.196 167 N HN 0.550 nan 8.380 nan 0.000 0.499 168 I N -0.172 120.396 120.570 -0.003 0.000 3.108 168 I HA 0.472 4.643 4.170 0.002 0.000 0.312 168 I C -0.320 175.821 176.117 0.040 0.000 1.095 168 I CA -1.125 60.200 61.300 0.041 0.000 1.000 168 I CB 1.062 39.109 38.000 0.077 0.000 1.229 168 I HN 0.077 nan 8.210 nan 0.000 0.454 169 D N 3.454 123.900 120.400 0.077 0.000 2.339 169 D HA 0.358 4.999 4.640 0.002 0.000 0.241 169 D C -1.715 174.669 176.300 0.141 0.000 1.183 169 D CA -2.181 51.827 54.000 0.013 0.000 0.859 169 D CB 1.406 42.208 40.800 0.003 0.000 1.067 169 D HN 0.403 nan 8.370 nan 0.000 0.484 170 P HA -0.053 nan 4.420 nan 0.000 0.233 170 P C 1.213 178.576 177.300 0.106 0.000 1.167 170 P CA 0.365 63.568 63.100 0.171 0.000 0.770 170 P CB 0.341 32.132 31.700 0.152 0.000 0.837 171 T N 0.387 114.902 114.554 -0.065 0.000 2.592 171 T HA -0.199 4.152 4.350 0.002 0.000 0.267 171 T C 1.380 175.849 174.700 -0.385 0.000 1.060 171 T CA 1.817 63.758 62.100 -0.265 0.000 1.167 171 T CB -0.935 67.707 68.868 -0.378 0.000 0.863 171 T HN 0.089 nan 8.240 nan 0.000 0.431 172 F N -0.371 119.466 119.950 -0.188 0.000 2.416 172 F HA 0.255 4.783 4.527 0.002 0.000 0.296 172 F C 1.882 177.452 175.800 -0.383 0.000 1.099 172 F CA 0.019 57.821 58.000 -0.329 0.000 1.427 172 F CB -0.604 38.151 39.000 -0.409 0.000 1.079 172 F HN 0.087 nan 8.300 nan 0.000 0.536 173 F N -0.159 119.717 119.950 -0.124 0.000 2.091 173 F HA -0.291 4.237 4.527 0.002 0.000 0.299 173 F C 2.135 177.775 175.800 -0.266 0.000 1.103 173 F CA 1.060 58.928 58.000 -0.220 0.000 1.228 173 F CB -0.752 38.119 39.000 -0.215 0.000 0.984 173 F HN -0.101 nan 8.300 nan 0.000 0.477 174 L N -0.060 121.139 121.223 -0.040 0.000 1.988 174 L HA -0.176 4.165 4.340 0.002 0.000 0.207 174 L C 2.766 179.505 176.870 -0.219 0.000 1.071 174 L CA 2.127 56.887 54.840 -0.133 0.000 0.744 174 L CB -1.706 40.327 42.059 -0.044 0.000 0.893 174 L HN 0.240 nan 8.230 nan 0.000 0.433 175 S N -0.660 114.886 115.700 -0.256 0.000 2.368 175 S HA -0.220 4.251 4.470 0.002 0.000 0.225 175 S C 2.134 176.605 174.600 -0.215 0.000 1.030 175 S CA 0.884 58.914 58.200 -0.283 0.000 0.999 175 S CB -0.519 62.430 63.200 -0.419 0.000 0.844 175 S HN 0.335 nan 8.310 nan 0.000 0.459 176 R N 0.817 121.162 120.500 -0.257 0.000 2.103 176 R HA -0.083 4.258 4.340 0.002 0.000 0.242 176 R C 2.561 178.925 176.300 0.107 0.000 1.142 176 R CA 2.060 58.065 56.100 -0.158 0.000 0.960 176 R CB -1.071 28.945 30.300 -0.473 0.000 0.858 176 R HN 0.524 nan 8.270 nan 0.000 0.439 177 T N 0.371 114.887 114.554 -0.064 0.000 2.770 177 T HA -0.073 4.278 4.350 0.002 0.000 0.263 177 T C 2.007 176.718 174.700 0.018 0.000 1.039 177 T CA 1.234 63.337 62.100 0.006 0.000 1.142 177 T CB -0.183 68.528 68.868 -0.261 0.000 0.868 177 T HN -0.019 nan 8.240 nan 0.000 0.435 178 V N 1.371 121.218 119.914 -0.110 0.000 2.255 178 V HA -0.190 3.932 4.120 0.002 0.000 0.247 178 V C 2.742 178.943 176.094 0.179 0.000 1.051 178 V CA 2.070 64.415 62.300 0.075 0.000 1.018 178 V CB -0.873 30.945 31.823 -0.009 0.000 0.641 178 V HN 0.482 nan 8.190 nan 0.000 0.445 179 S N -0.018 115.777 115.700 0.157 0.000 2.400 179 S HA -0.220 4.251 4.470 0.002 0.000 0.232 179 S C 1.828 176.694 174.600 0.444 0.000 1.025 179 S CA 1.651 60.010 58.200 0.266 0.000 0.993 179 S CB -0.509 62.870 63.200 0.297 0.000 0.808 179 S HN 0.627 nan 8.310 nan 0.000 0.478 180 N N 0.644 119.603 118.700 0.431 0.000 2.459 180 N HA 0.032 4.773 4.740 0.002 0.000 0.181 180 N C 1.497 177.192 175.510 0.308 0.000 1.046 180 N CA 0.631 53.914 53.050 0.389 0.000 0.904 180 N CB -0.270 38.454 38.487 0.394 0.000 0.964 180 N HN 0.263 nan 8.380 nan 0.000 0.444 181 V N 0.751 120.844 119.914 0.298 0.000 2.255 181 V HA -0.141 3.980 4.120 0.002 0.000 0.243 181 V C 2.210 178.408 176.094 0.173 0.000 1.038 181 V CA 0.953 63.392 62.300 0.233 0.000 1.008 181 V CB -0.349 31.619 31.823 0.241 0.000 0.645 181 V HN 0.156 nan 8.190 nan 0.000 0.449 182 I N 0.251 120.926 120.570 0.175 0.000 2.286 182 I HA -0.186 3.985 4.170 0.002 0.000 0.248 182 I C 2.463 178.631 176.117 0.086 0.000 1.115 182 I CA 1.544 62.917 61.300 0.122 0.000 1.392 182 I CB -0.385 37.691 38.000 0.127 0.000 1.065 182 I HN 0.223 nan 8.210 nan 0.000 0.418 183 S N 0.050 115.890 115.700 0.233 0.000 2.382 183 S HA -0.183 4.288 4.470 0.002 0.000 0.228 183 S C 2.132 176.769 174.600 0.063 0.000 1.027 183 S CA 1.466 59.793 58.200 0.212 0.000 0.991 183 S CB -0.640 62.932 63.200 0.619 0.000 0.823 183 S HN 0.751 nan 8.310 nan 0.000 0.469 184 S N 1.447 117.199 115.700 0.086 0.000 2.423 184 S HA 0.044 4.515 4.470 0.002 0.000 0.231 184 S C 1.722 176.319 174.600 -0.006 0.000 1.014 184 S CA 0.631 58.860 58.200 0.049 0.000 0.965 184 S CB -0.568 62.687 63.200 0.091 0.000 0.785 184 S HN 0.492 nan 8.310 nan 0.000 0.495 185 I N 0.786 121.338 120.570 -0.030 0.000 2.277 185 I HA -0.029 4.142 4.170 0.002 0.000 0.243 185 I C 2.415 178.382 176.117 -0.249 0.000 1.094 185 I CA 0.795 62.038 61.300 -0.095 0.000 1.393 185 I CB -0.276 37.721 38.000 -0.004 0.000 1.078 185 I HN 0.204 nan 8.210 nan 0.000 0.417 186 V N 0.041 119.773 119.914 -0.302 0.000 2.535 186 V HA -0.130 3.991 4.120 0.002 0.000 0.246 186 V C 1.610 177.457 176.094 -0.411 0.000 1.045 186 V CA 1.644 63.667 62.300 -0.462 0.000 1.058 186 V CB -0.261 31.089 31.823 -0.788 0.000 0.689 186 V HN 0.277 nan 8.190 nan 0.000 0.461 187 F N -0.368 119.533 119.950 -0.081 0.000 2.724 187 F HA 0.526 5.054 4.527 0.002 0.000 0.306 187 F C 1.862 177.580 175.800 -0.137 0.000 1.100 187 F CA 0.202 58.127 58.000 -0.126 0.000 1.255 187 F CB -0.134 38.748 39.000 -0.197 0.000 1.072 187 F HN 0.191 nan 8.300 nan 0.000 0.589 188 G N 0.179 108.983 108.800 0.006 0.000 2.176 188 G HA2 -0.229 3.732 3.960 0.002 0.000 0.253 188 G HA3 -0.229 3.732 3.960 0.002 0.000 0.253 188 G C -0.237 174.660 174.900 -0.004 0.000 0.979 188 G CA 0.397 45.492 45.100 -0.009 0.000 0.641 188 G HN 0.353 nan 8.290 nan 0.000 0.530 189 D N -1.136 119.244 120.400 -0.034 0.000 2.622 189 D HA 0.440 5.081 4.640 0.002 0.000 0.255 189 D C 0.462 176.685 176.300 -0.127 0.000 1.246 189 D CA -0.495 53.462 54.000 -0.072 0.000 0.795 189 D CB 0.844 41.575 40.800 -0.116 0.000 1.369 189 D HN 0.503 nan 8.370 nan 0.000 0.425 190 R N 0.412 120.858 120.500 -0.089 0.000 2.679 190 R HA 0.462 4.803 4.340 0.002 0.000 0.269 190 R C -0.306 175.814 176.300 -0.300 0.000 1.076 190 R CA -0.255 55.791 56.100 -0.090 0.000 1.160 190 R CB 0.320 30.639 30.300 0.032 0.000 1.054 190 R HN 0.139 nan 8.270 nan 0.000 0.507 191 F N 0.084 119.832 119.950 -0.338 0.000 2.371 191 F HA 0.128 4.656 4.527 0.002 0.000 0.329 191 F C 0.709 176.322 175.800 -0.311 0.000 1.107 191 F CA -0.234 57.464 58.000 -0.504 0.000 1.137 191 F CB 0.954 39.156 39.000 -1.329 0.000 1.214 191 F HN 0.597 nan 8.300 nan 0.000 0.536 192 D N 0.542 120.956 120.400 0.023 0.000 2.389 192 D HA 0.032 4.673 4.640 0.002 0.000 0.247 192 D C 0.582 177.051 176.300 0.281 0.000 1.128 192 D CA 0.154 54.187 54.000 0.056 0.000 0.884 192 D CB 0.498 41.304 40.800 0.009 0.000 1.194 192 D HN 0.338 nan 8.370 nan 0.000 0.441 193 Y N 1.813 122.146 120.300 0.057 0.000 2.403 193 Y HA -0.087 4.464 4.550 0.002 0.000 0.291 193 Y C 1.516 177.457 175.900 0.069 0.000 1.143 193 Y CA 0.880 59.053 58.100 0.121 0.000 1.257 193 Y CB -0.016 38.470 38.460 0.042 0.000 0.984 193 Y HN 0.379 nan 8.280 nan 0.000 0.550 194 K N 0.274 120.787 120.400 0.189 0.000 2.410 194 K HA 0.042 4.363 4.320 0.002 0.000 0.200 194 K C -0.121 176.527 176.600 0.079 0.000 1.023 194 K CA -0.041 56.296 56.287 0.083 0.000 1.149 194 K CB 0.094 32.620 32.500 0.042 0.000 0.859 194 K HN 0.157 nan 8.250 nan 0.000 0.514 195 D N 1.941 122.435 120.400 0.155 0.000 2.383 195 D HA 0.040 4.681 4.640 0.002 0.000 0.252 195 D C 0.603 176.955 176.300 0.088 0.000 1.166 195 D CA 0.250 54.340 54.000 0.148 0.000 0.879 195 D CB 1.066 42.013 40.800 0.245 0.000 1.164 195 D HN -0.048 nan 8.370 nan 0.000 0.462 196 K N 2.606 123.020 120.400 0.024 0.000 2.062 196 K HA -0.119 4.202 4.320 0.002 0.000 0.205 196 K C 1.710 178.272 176.600 -0.064 0.000 1.051 196 K CA 0.665 56.927 56.287 -0.043 0.000 0.941 196 K CB 0.160 32.635 32.500 -0.042 0.000 0.719 196 K HN 0.501 nan 8.250 nan 0.000 0.440 197 E N 0.199 120.386 120.200 -0.021 0.000 2.153 197 E HA -0.212 4.139 4.350 0.002 0.000 0.194 197 E C 1.750 178.247 176.600 -0.173 0.000 0.988 197 E CA 0.843 57.205 56.400 -0.064 0.000 0.811 197 E CB -0.035 29.674 29.700 0.016 0.000 0.746 197 E HN 0.183 nan 8.360 nan 0.000 0.466 198 F N 1.332 121.073 119.950 -0.349 0.000 2.102 198 F HA -0.174 4.354 4.527 0.002 0.000 0.298 198 F C 1.988 177.562 175.800 -0.378 0.000 1.105 198 F CA 1.342 59.001 58.000 -0.568 0.000 1.239 198 F CB -0.747 37.987 39.000 -0.444 0.000 0.991 198 F HN 0.156 nan 8.300 nan 0.000 0.474 199 L N 0.127 121.101 121.223 -0.415 0.000 2.083 199 L HA -0.110 4.231 4.340 0.002 0.000 0.209 199 L C 2.636 179.271 176.870 -0.392 0.000 1.083 199 L CA 2.271 56.801 54.840 -0.516 0.000 0.752 199 L CB -1.440 40.340 42.059 -0.465 0.000 0.899 199 L HN 0.310 nan 8.230 nan 0.000 0.433 200 S N -0.467 115.062 115.700 -0.286 0.000 2.365 200 S HA -0.241 4.230 4.470 0.002 0.000 0.225 200 S C 2.073 176.562 174.600 -0.184 0.000 1.039 200 S CA 1.962 60.038 58.200 -0.207 0.000 1.033 200 S CB -0.668 62.439 63.200 -0.155 0.000 0.887 200 S HN 0.541 nan 8.310 nan 0.000 0.447 201 L N 0.777 121.858 121.223 -0.237 0.000 2.046 201 L HA -0.045 4.296 4.340 0.002 0.000 0.208 201 L C 2.577 179.330 176.870 -0.196 0.000 1.077 201 L CA 1.183 55.907 54.840 -0.194 0.000 0.747 201 L CB -0.557 41.361 42.059 -0.235 0.000 0.896 201 L HN 0.348 nan 8.230 nan 0.000 0.432 202 L N -0.847 120.215 121.223 -0.268 0.000 2.201 202 L HA -0.166 4.175 4.340 0.002 0.000 0.212 202 L C 2.794 179.653 176.870 -0.017 0.000 1.105 202 L CA 1.030 55.740 54.840 -0.217 0.000 0.775 202 L CB -0.454 41.471 42.059 -0.224 0.000 0.913 202 L HN 0.229 nan 8.230 nan 0.000 0.440 203 R N -0.356 120.160 120.500 0.027 0.000 2.062 203 R HA -0.056 4.285 4.340 0.002 0.000 0.229 203 R C 2.367 178.671 176.300 0.008 0.000 1.128 203 R CA 1.149 57.291 56.100 0.069 0.000 0.960 203 R CB -0.258 30.027 30.300 -0.026 0.000 0.855 203 R HN 0.286 nan 8.270 nan 0.000 0.432 204 M N 0.132 119.719 119.600 -0.022 0.000 2.089 204 M HA -0.286 4.195 4.480 0.002 0.000 0.257 204 M C 2.389 178.721 176.300 0.053 0.000 1.071 204 M CA 2.001 57.315 55.300 0.023 0.000 1.096 204 M CB -0.347 32.278 32.600 0.042 0.000 1.330 204 M HN 0.170 nan 8.290 nan 0.000 0.403 205 M N -0.284 119.258 119.600 -0.096 0.000 2.059 205 M HA -0.230 4.251 4.480 0.002 0.000 0.259 205 M C 2.218 178.447 176.300 -0.118 0.000 1.072 205 M CA 1.563 56.670 55.300 -0.323 0.000 1.117 205 M CB -0.544 31.611 32.600 -0.742 0.000 1.320 205 M HN 0.232 nan 8.290 nan 0.000 0.408 206 L N 0.428 121.577 121.223 -0.123 0.000 2.021 206 L HA -0.159 4.182 4.340 0.002 0.000 0.215 206 L C 2.274 179.227 176.870 0.139 0.000 1.074 206 L CA 2.425 57.260 54.840 -0.008 0.000 0.760 206 L CB -1.308 40.694 42.059 -0.094 0.000 0.889 206 L HN 0.349 nan 8.230 nan 0.000 0.433 207 G N -1.934 106.932 108.800 0.109 0.000 2.459 207 G HA2 -0.269 3.692 3.960 0.002 0.000 0.217 207 G HA3 -0.269 3.692 3.960 0.002 0.000 0.217 207 G C 1.566 176.569 174.900 0.173 0.000 1.183 207 G CA 0.946 46.112 45.100 0.111 0.000 0.776 207 G HN 0.496 nan 8.290 nan 0.000 0.552 208 S N 0.434 116.278 115.700 0.240 0.000 2.359 208 S HA -0.161 4.310 4.470 0.002 0.000 0.222 208 S C 1.966 176.833 174.600 0.445 0.000 1.038 208 S CA 1.452 59.855 58.200 0.338 0.000 1.051 208 S CB -0.477 63.077 63.200 0.590 0.000 0.944 208 S HN 0.337 nan 8.310 nan 0.000 0.433 209 F N 1.899 122.112 119.950 0.437 0.000 2.102 209 F HA -0.133 4.395 4.527 0.002 0.000 0.298 209 F C 2.642 178.600 175.800 0.264 0.000 1.105 209 F CA 1.742 60.024 58.000 0.470 0.000 1.239 209 F CB -0.777 38.475 39.000 0.419 0.000 0.991 209 F HN 0.147 nan 8.300 nan 0.000 0.474 210 Q N -0.753 119.215 119.800 0.281 0.000 2.112 210 Q HA -0.281 4.060 4.340 0.002 0.000 0.206 210 Q C 2.214 178.206 176.000 -0.012 0.000 0.987 210 Q CA 2.352 58.224 55.803 0.115 0.000 0.858 210 Q CB -0.604 28.229 28.738 0.158 0.000 0.905 210 Q HN 0.498 nan 8.270 nan 0.000 0.420 211 F N 0.454 120.355 119.950 -0.083 0.000 2.134 211 F HA -0.190 4.338 4.527 0.002 0.000 0.299 211 F C 2.171 177.855 175.800 -0.193 0.000 1.097 211 F CA 1.949 59.841 58.000 -0.179 0.000 1.264 211 F CB -0.693 38.173 39.000 -0.223 0.000 1.001 211 F HN 0.176 nan 8.300 nan 0.000 0.479 212 T N -3.197 111.136 114.554 -0.369 0.000 3.085 212 T HA -0.013 4.338 4.350 0.002 0.000 0.263 212 T C 1.748 176.289 174.700 -0.264 0.000 1.127 212 T CA 1.056 62.916 62.100 -0.400 0.000 1.103 212 T CB -0.503 68.231 68.868 -0.223 0.000 0.921 212 T HN 0.226 nan 8.240 nan 0.000 0.510 213 S N 0.514 116.055 115.700 -0.264 0.000 2.535 213 S HA 0.186 4.657 4.470 0.002 0.000 0.214 213 S C 0.944 175.381 174.600 -0.272 0.000 0.980 213 S CA -0.231 57.845 58.200 -0.206 0.000 0.907 213 S CB 0.100 63.199 63.200 -0.169 0.000 0.790 213 S HN 0.540 nan 8.310 nan 0.000 0.510 214 T N 1.093 115.379 114.554 -0.445 0.000 2.849 214 T HA 0.199 4.550 4.350 0.002 0.000 0.284 214 T C 1.463 175.983 174.700 -0.301 0.000 1.004 214 T CA -0.076 61.731 62.100 -0.488 0.000 1.021 214 T CB 1.298 69.835 68.868 -0.552 0.000 1.013 214 T HN 0.156 nan 8.240 nan 0.000 0.527 215 S N 1.096 116.690 115.700 -0.177 0.000 2.374 215 S HA -0.140 4.331 4.470 0.002 0.000 0.227 215 S C 2.088 176.640 174.600 -0.080 0.000 1.037 215 S CA 2.375 60.526 58.200 -0.083 0.000 1.024 215 S CB -0.589 62.599 63.200 -0.021 0.000 0.861 215 S HN 0.813 nan 8.310 nan 0.000 0.456 216 T N 0.730 115.221 114.554 -0.105 0.000 2.777 216 T HA 0.024 4.375 4.350 0.002 0.000 0.266 216 T C 1.897 176.496 174.700 -0.169 0.000 1.040 216 T CA 1.241 63.323 62.100 -0.030 0.000 1.141 216 T CB -1.025 67.896 68.868 0.089 0.000 0.868 216 T HN 0.573 nan 8.240 nan 0.000 0.444 217 G N 0.963 109.328 108.800 -0.726 0.000 2.450 217 G HA2 -0.217 3.744 3.960 0.002 0.000 0.220 217 G HA3 -0.217 3.744 3.960 0.002 0.000 0.220 217 G C 1.634 176.350 174.900 -0.308 0.000 1.130 217 G CA 0.558 45.032 45.100 -1.043 0.000 0.760 217 G HN 0.352 nan 8.290 nan 0.000 0.557 218 Q N -0.603 119.092 119.800 -0.176 0.000 2.163 218 Q HA 0.136 4.477 4.340 0.002 0.000 0.198 218 Q C 2.546 178.567 176.000 0.035 0.000 0.954 218 Q CA 0.269 56.051 55.803 -0.034 0.000 0.851 218 Q CB -0.487 28.238 28.738 -0.021 0.000 0.928 218 Q HN 0.454 nan 8.270 nan 0.000 0.459 219 L N 0.216 121.487 121.223 0.081 0.000 2.127 219 L HA -0.205 4.136 4.340 0.002 0.000 0.211 219 L C 2.148 179.145 176.870 0.211 0.000 1.089 219 L CA 1.613 56.569 54.840 0.194 0.000 0.757 219 L CB -0.639 41.577 42.059 0.262 0.000 0.899 219 L HN 0.191 nan 8.230 nan 0.000 0.434 220 Y N -0.132 120.220 120.300 0.087 0.000 2.293 220 Y HA -0.176 4.376 4.550 0.002 0.000 0.291 220 Y C 2.301 178.239 175.900 0.063 0.000 1.137 220 Y CA 1.431 59.604 58.100 0.122 0.000 1.202 220 Y CB 0.146 38.707 38.460 0.167 0.000 0.990 220 Y HN 0.250 nan 8.280 nan 0.000 0.537 221 E N -0.076 120.140 120.200 0.027 0.000 2.268 221 E HA -0.178 4.173 4.350 0.002 0.000 0.195 221 E C 1.954 178.440 176.600 -0.191 0.000 0.995 221 E CA 1.398 57.772 56.400 -0.045 0.000 0.836 221 E CB -0.281 29.456 29.700 0.062 0.000 0.763 221 E HN 0.659 nan 8.360 nan 0.000 0.491 222 M N -1.370 118.051 119.600 -0.298 0.000 2.325 222 M HA 0.061 4.542 4.480 0.002 0.000 0.265 222 M C 0.838 176.645 176.300 -0.821 0.000 1.094 222 M CA 1.094 55.982 55.300 -0.687 0.000 1.161 222 M CB 0.138 32.118 32.600 -1.033 0.000 1.358 222 M HN -0.053 nan 8.290 nan 0.000 0.446 223 F N -0.336 119.523 119.950 -0.153 0.000 2.791 223 F HA 0.207 4.735 4.527 0.001 0.000 0.316 223 F C 1.928 177.640 175.800 -0.146 0.000 1.134 223 F CA -0.500 57.430 58.000 -0.116 0.000 1.222 223 F CB -0.065 38.915 39.000 -0.033 0.000 1.034 223 F HN 0.087 nan 8.300 nan 0.000 0.516 224 S N -0.097 115.426 115.700 -0.295 0.000 2.380 224 S HA -0.322 4.149 4.470 0.002 0.000 0.229 224 S C 2.362 176.910 174.600 -0.086 0.000 1.043 224 S CA 1.829 59.666 58.200 -0.605 0.000 1.038 224 S CB -1.074 61.642 63.200 -0.807 0.000 0.872 224 S HN 0.506 nan 8.310 nan 0.000 0.456 225 S N 1.513 117.241 115.700 0.047 0.000 2.407 225 S HA -0.117 4.354 4.470 0.002 0.000 0.235 225 S C 1.755 176.520 174.600 0.274 0.000 1.036 225 S CA 1.375 59.675 58.200 0.167 0.000 1.013 225 S CB -0.978 62.341 63.200 0.198 0.000 0.820 225 S HN 0.477 nan 8.310 nan 0.000 0.476 226 V N 1.380 121.465 119.914 0.285 0.000 2.436 226 V HA 0.131 4.253 4.120 0.002 0.000 0.240 226 V C 2.578 178.845 176.094 0.288 0.000 1.040 226 V CA 1.476 63.950 62.300 0.289 0.000 1.052 226 V CB -0.722 31.245 31.823 0.239 0.000 0.707 226 V HN 0.392 nan 8.190 nan 0.000 0.469 227 M N 0.965 120.729 119.600 0.273 0.000 2.267 227 M HA -0.195 4.286 4.480 0.002 0.000 0.263 227 M C 2.145 178.682 176.300 0.395 0.000 1.063 227 M CA 1.779 57.277 55.300 0.330 0.000 1.090 227 M CB -0.504 32.359 32.600 0.440 0.000 1.392 227 M HN 0.431 nan 8.290 nan 0.000 0.422 228 K N -0.558 120.075 120.400 0.389 0.000 2.442 228 K HA -0.148 4.173 4.320 0.002 0.000 0.198 228 K C 0.830 177.441 176.600 0.017 0.000 1.042 228 K CA 1.206 57.688 56.287 0.325 0.000 0.958 228 K CB -0.201 32.416 32.500 0.196 0.000 0.766 228 K HN 0.465 nan 8.250 nan 0.000 0.474 229 H N 0.155 119.383 119.070 0.262 0.000 2.594 229 H HA 0.298 4.855 4.556 0.002 0.000 0.279 229 H C -0.052 175.354 175.328 0.129 0.000 1.042 229 H CA -0.151 56.002 56.048 0.175 0.000 1.177 229 H CB 0.350 30.190 29.762 0.131 0.000 1.524 229 H HN 0.091 nan 8.280 nan 0.000 0.537 230 L N 2.657 124.003 121.223 0.204 0.000 2.334 230 L HA 0.377 4.718 4.340 0.002 0.000 0.273 230 L C -2.147 174.755 176.870 0.053 0.000 1.013 230 L CA -2.123 52.790 54.840 0.123 0.000 0.816 230 L CB 1.972 44.100 42.059 0.115 0.000 1.278 230 L HN -0.114 nan 8.230 nan 0.000 0.431 231 P HA 0.352 nan 4.420 nan 0.000 0.272 231 P C -0.175 177.091 177.300 -0.056 0.000 1.223 231 P CA 0.170 63.252 63.100 -0.029 0.000 0.784 231 P CB 1.287 32.976 31.700 -0.017 0.000 0.923 232 G N 1.491 110.219 108.800 -0.121 0.000 2.369 232 G HA2 0.072 4.033 3.960 0.002 0.000 0.293 232 G HA3 0.072 4.033 3.960 0.002 0.000 0.293 232 G C -2.737 172.006 174.900 -0.262 0.000 1.301 232 G CA -0.698 44.322 45.100 -0.133 0.000 0.913 232 G HN 0.125 nan 8.290 nan 0.000 0.540 233 P HA -0.158 nan 4.420 nan 0.000 0.218 233 P C 2.069 178.816 177.300 -0.922 0.000 1.146 233 P CA 2.042 64.921 63.100 -0.369 0.000 0.813 233 P CB 0.079 31.736 31.700 -0.073 0.000 0.778 234 Q N -0.124 119.066 119.800 -1.016 0.000 2.096 234 Q HA -0.226 4.115 4.340 0.002 0.000 0.204 234 Q C 1.716 176.530 176.000 -1.975 0.000 0.982 234 Q CA 1.536 56.306 55.803 -1.722 0.000 0.850 234 Q CB -1.295 26.706 28.738 -1.228 0.000 0.901 234 Q HN 0.323 nan 8.270 nan 0.000 0.422 235 Q N 0.828 119.923 119.800 -1.176 0.000 2.119 235 Q HA -0.126 4.215 4.340 0.002 0.000 0.201 235 Q C 2.044 177.649 176.000 -0.658 0.000 0.972 235 Q CA 1.588 56.897 55.803 -0.824 0.000 0.847 235 Q CB -0.214 28.309 28.738 -0.359 0.000 0.903 235 Q HN 0.527 nan 8.270 nan 0.000 0.433 236 Q N 0.704 120.150 119.800 -0.590 0.000 2.050 236 Q HA -0.054 4.287 4.340 0.002 0.000 0.202 236 Q C 2.099 177.810 176.000 -0.481 0.000 0.980 236 Q CA 1.727 57.276 55.803 -0.422 0.000 0.840 236 Q CB -0.560 27.985 28.738 -0.321 0.000 0.898 236 Q HN 0.436 nan 8.270 nan 0.000 0.424 237 A N 0.177 122.537 122.820 -0.766 0.000 1.892 237 A HA -0.205 4.116 4.320 0.002 0.000 0.218 237 A C 1.731 179.015 177.584 -0.499 0.000 1.188 237 A CA 1.657 53.270 52.037 -0.707 0.000 0.631 237 A CB -0.874 17.398 19.000 -1.215 0.000 0.822 237 A HN 0.368 nan 8.150 nan 0.000 0.447 238 F N 0.205 119.688 119.950 -0.777 0.000 2.171 238 F HA -0.151 4.377 4.527 0.001 0.000 0.300 238 F C 2.646 178.115 175.800 -0.552 0.000 1.090 238 F CA 1.054 58.440 58.000 -1.024 0.000 1.293 238 F CB -1.263 36.596 39.000 -1.902 0.000 1.013 238 F HN 0.338 nan 8.300 nan 0.000 0.486 239 Q N 0.117 119.786 119.800 -0.218 0.000 2.135 239 Q HA -0.173 4.168 4.340 0.002 0.000 0.204 239 Q C 2.311 178.297 176.000 -0.023 0.000 0.981 239 Q CA 1.454 57.206 55.803 -0.084 0.000 0.856 239 Q CB -0.430 28.244 28.738 -0.107 0.000 0.902 239 Q HN 0.435 nan 8.270 nan 0.000 0.425 240 L N 0.090 121.285 121.223 -0.047 0.000 2.109 240 L HA -0.157 4.184 4.340 0.002 0.000 0.207 240 L C 2.279 179.216 176.870 0.113 0.000 1.086 240 L CA 0.689 55.545 54.840 0.028 0.000 0.760 240 L CB -0.405 41.666 42.059 0.021 0.000 0.910 240 L HN 0.215 nan 8.230 nan 0.000 0.437 241 L N -0.524 120.771 121.223 0.120 0.000 2.046 241 L HA -0.232 4.109 4.340 0.002 0.000 0.208 241 L C 2.745 179.732 176.870 0.195 0.000 1.077 241 L CA 1.042 55.999 54.840 0.194 0.000 0.747 241 L CB -0.463 41.716 42.059 0.199 0.000 0.896 241 L HN 0.286 nan 8.230 nan 0.000 0.432 242 Q N 0.515 120.440 119.800 0.210 0.000 2.061 242 Q HA -0.155 4.186 4.340 0.002 0.000 0.204 242 Q C 2.123 178.215 176.000 0.154 0.000 0.984 242 Q CA 2.087 58.015 55.803 0.209 0.000 0.846 242 Q CB -0.728 28.149 28.738 0.231 0.000 0.902 242 Q HN 0.421 nan 8.270 nan 0.000 0.421 243 G N 0.002 108.883 108.800 0.135 0.000 2.422 243 G HA2 -0.209 3.752 3.960 0.002 0.000 0.218 243 G HA3 -0.209 3.752 3.960 0.002 0.000 0.218 243 G C 1.344 176.359 174.900 0.191 0.000 1.146 243 G CA 0.956 46.135 45.100 0.132 0.000 0.769 243 G HN 0.383 nan 8.290 nan 0.000 0.547 244 L N -0.036 121.320 121.223 0.222 0.000 2.027 244 L HA -0.022 4.319 4.340 0.002 0.000 0.206 244 L C 2.740 179.807 176.870 0.327 0.000 1.074 244 L CA 1.539 56.571 54.840 0.320 0.000 0.745 244 L CB -0.428 41.857 42.059 0.377 0.000 0.898 244 L HN 0.303 nan 8.230 nan 0.000 0.433 245 E N 0.333 120.664 120.200 0.219 0.000 2.058 245 E HA -0.265 4.086 4.350 0.002 0.000 0.194 245 E C 1.672 178.359 176.600 0.145 0.000 0.997 245 E CA 1.647 58.139 56.400 0.154 0.000 0.801 245 E CB 0.065 29.802 29.700 0.061 0.000 0.746 245 E HN 0.429 nan 8.360 nan 0.000 0.450 246 D N -0.073 120.414 120.400 0.145 0.000 2.149 246 D HA -0.178 4.463 4.640 0.002 0.000 0.198 246 D C 1.647 178.024 176.300 0.128 0.000 0.990 246 D CA 0.845 54.914 54.000 0.115 0.000 0.839 246 D CB -0.422 40.444 40.800 0.111 0.000 0.948 246 D HN 0.241 nan 8.370 nan 0.000 0.460 247 F N 1.294 121.278 119.950 0.055 0.000 2.146 247 F HA -0.124 4.404 4.527 0.002 0.000 0.298 247 F C 2.087 177.889 175.800 0.003 0.000 1.096 247 F CA 0.924 58.937 58.000 0.022 0.000 1.275 247 F CB -0.009 39.013 39.000 0.037 0.000 1.008 247 F HN -0.161 nan 8.300 nan 0.000 0.480 248 I N 0.691 121.314 120.570 0.088 0.000 2.252 248 I HA -0.247 3.924 4.170 0.002 0.000 0.245 248 I C 2.743 178.823 176.117 -0.063 0.000 1.102 248 I CA 1.398 62.713 61.300 0.024 0.000 1.385 248 I CB -1.988 36.148 38.000 0.226 0.000 1.064 248 I HN 0.246 nan 8.210 nan 0.000 0.414 249 A N 1.159 123.966 122.820 -0.021 0.000 1.908 249 A HA -0.235 4.086 4.320 0.002 0.000 0.218 249 A C 2.369 179.910 177.584 -0.071 0.000 1.181 249 A CA 1.718 53.739 52.037 -0.027 0.000 0.627 249 A CB -0.506 18.491 19.000 -0.004 0.000 0.818 249 A HN 0.360 nan 8.150 nan 0.000 0.445 250 K N -0.269 120.054 120.400 -0.128 0.000 2.009 250 K HA -0.140 4.181 4.320 0.002 0.000 0.210 250 K C 2.070 178.542 176.600 -0.214 0.000 1.049 250 K CA 1.510 57.699 56.287 -0.163 0.000 0.929 250 K CB -0.139 32.248 32.500 -0.188 0.000 0.714 250 K HN 0.220 nan 8.250 nan 0.000 0.440 251 K N 0.717 120.876 120.400 -0.402 0.000 2.057 251 K HA -0.108 4.213 4.320 0.002 0.000 0.207 251 K C 2.193 178.743 176.600 -0.083 0.000 1.049 251 K CA 1.061 57.141 56.287 -0.345 0.000 0.931 251 K CB -0.529 31.612 32.500 -0.599 0.000 0.714 251 K HN 0.014 nan 8.250 nan 0.000 0.440 252 V N 1.564 121.447 119.914 -0.051 0.000 2.343 252 V HA -0.237 3.884 4.120 0.002 0.000 0.247 252 V C 2.508 178.609 176.094 0.013 0.000 1.051 252 V CA 1.997 64.305 62.300 0.013 0.000 1.036 252 V CB -0.454 31.376 31.823 0.012 0.000 0.654 252 V HN 0.438 nan 8.190 nan 0.000 0.451 253 E N -0.472 119.726 120.200 -0.003 0.000 2.077 253 E HA -0.299 4.052 4.350 0.002 0.000 0.193 253 E C 2.333 178.936 176.600 0.006 0.000 0.989 253 E CA 1.442 57.842 56.400 0.001 0.000 0.800 253 E CB -0.274 29.423 29.700 -0.005 0.000 0.746 253 E HN 0.748 nan 8.360 nan 0.000 0.452 254 H N 0.172 119.203 119.070 -0.065 0.000 2.387 254 H HA -0.087 4.470 4.556 0.002 0.000 0.299 254 H C 1.640 176.946 175.328 -0.036 0.000 1.090 254 H CA 1.758 57.770 56.048 -0.060 0.000 1.332 254 H CB 0.181 29.887 29.762 -0.093 0.000 1.386 254 H HN 0.164 nan 8.280 nan 0.000 0.516 255 N N 0.631 119.344 118.700 0.022 0.000 2.120 255 N HA -0.124 4.617 4.740 0.002 0.000 0.188 255 N C 2.146 177.628 175.510 -0.046 0.000 1.024 255 N CA 1.070 54.120 53.050 -0.000 0.000 0.852 255 N CB -0.243 38.285 38.487 0.069 0.000 1.003 255 N HN 0.507 nan 8.380 nan 0.000 0.424 256 Q N 0.129 119.911 119.800 -0.030 0.000 2.061 256 Q HA -0.049 4.292 4.340 0.002 0.000 0.204 256 Q C 1.582 177.548 176.000 -0.057 0.000 0.984 256 Q CA 1.196 56.986 55.803 -0.023 0.000 0.846 256 Q CB -0.088 28.646 28.738 -0.006 0.000 0.902 256 Q HN 0.373 nan 8.270 nan 0.000 0.421 257 R N -0.013 120.424 120.500 -0.105 0.000 2.316 257 R HA -0.034 4.307 4.340 0.002 0.000 0.202 257 R C 1.296 177.507 176.300 -0.149 0.000 1.029 257 R CA 1.440 57.468 56.100 -0.120 0.000 1.018 257 R CB 0.114 30.335 30.300 -0.131 0.000 0.888 257 R HN 0.328 nan 8.270 nan 0.000 0.471 258 T N -3.152 111.298 114.554 -0.173 0.000 3.144 258 T HA 0.152 4.503 4.350 0.002 0.000 0.290 258 T C 0.163 174.823 174.700 -0.067 0.000 0.966 258 T CA -0.561 61.451 62.100 -0.146 0.000 0.907 258 T CB 0.111 68.835 68.868 -0.240 0.000 1.152 258 T HN -0.062 nan 8.240 nan 0.000 0.532 259 L N 3.477 124.674 121.223 -0.043 0.000 2.513 259 L HA 0.441 4.782 4.340 0.002 0.000 0.272 259 L C -0.371 176.499 176.870 0.001 0.000 1.187 259 L CA 0.275 55.112 54.840 -0.005 0.000 0.895 259 L CB 0.324 42.389 42.059 0.010 0.000 1.147 259 L HN 0.193 nan 8.230 nan 0.000 0.483 260 D N 7.039 127.448 120.400 0.014 0.000 2.427 260 D HA 0.347 4.988 4.640 0.002 0.000 0.226 260 D C -1.900 174.413 176.300 0.022 0.000 1.076 260 D CA -2.175 51.834 54.000 0.014 0.000 0.849 260 D CB 1.501 42.310 40.800 0.016 0.000 1.052 260 D HN 0.387 nan 8.370 nan 0.000 0.515 261 P HA -0.038 nan 4.420 nan 0.000 0.234 261 P C 0.400 177.707 177.300 0.012 0.000 1.167 261 P CA 0.391 63.501 63.100 0.016 0.000 0.763 261 P CB 0.534 32.238 31.700 0.007 0.000 0.835 262 N N -0.408 118.298 118.700 0.010 0.000 2.395 262 N HA -0.017 4.724 4.740 0.002 0.000 0.175 262 N C 0.580 176.096 175.510 0.010 0.000 1.029 262 N CA 0.697 53.749 53.050 0.004 0.000 0.897 262 N CB 0.107 38.595 38.487 0.002 0.000 0.991 262 N HN 0.089 nan 8.380 nan 0.000 0.441 263 S N 1.837 117.552 115.700 0.025 0.000 2.539 263 S HA 0.415 4.886 4.470 0.002 0.000 0.235 263 S C -2.912 171.733 174.600 0.075 0.000 1.326 263 S CA -1.414 56.809 58.200 0.038 0.000 1.183 263 S CB 0.841 64.060 63.200 0.032 0.000 1.073 263 S HN -0.173 nan 8.310 nan 0.000 0.480 264 P HA 0.293 nan 4.420 nan 0.000 0.268 264 P C 0.207 177.665 177.300 0.263 0.000 1.204 264 P CA -0.284 62.937 63.100 0.202 0.000 0.768 264 P CB 0.523 32.405 31.700 0.304 0.000 0.842 265 R N 1.289 121.913 120.500 0.207 0.000 2.189 265 R HA 0.126 4.467 4.340 0.002 0.000 0.203 265 R C 0.100 176.465 176.300 0.109 0.000 1.012 265 R CA 0.701 56.908 56.100 0.179 0.000 1.015 265 R CB -0.061 30.297 30.300 0.097 0.000 0.938 265 R HN 0.633 nan 8.270 nan 0.000 0.472 266 D N -2.840 117.502 120.400 -0.096 0.000 2.692 266 D HA -0.028 4.613 4.640 0.002 0.000 0.303 266 D C 0.056 176.001 176.300 -0.592 0.000 1.278 266 D CA -0.831 52.800 54.000 -0.615 0.000 0.852 266 D CB -0.166 40.506 40.800 -0.214 0.000 1.375 266 D HN -0.173 nan 8.370 nan 0.000 0.453 267 F N 0.356 119.900 119.950 -0.677 0.000 2.091 267 F HA -0.115 4.413 4.527 0.002 0.000 0.299 267 F C 1.863 177.727 175.800 0.108 0.000 1.103 267 F CA 1.656 59.548 58.000 -0.181 0.000 1.228 267 F CB -0.126 38.807 39.000 -0.111 0.000 0.984 267 F HN 0.355 nan 8.300 nan 0.000 0.477 268 I N 0.139 120.908 120.570 0.332 0.000 2.151 268 I HA -0.361 3.810 4.170 0.002 0.000 0.243 268 I C 2.065 178.311 176.117 0.214 0.000 1.080 268 I CA 1.747 63.219 61.300 0.287 0.000 1.339 268 I CB -0.670 37.456 38.000 0.210 0.000 1.039 268 I HN 0.123 nan 8.210 nan 0.000 0.409 269 D N 0.602 121.092 120.400 0.150 0.000 2.104 269 D HA -0.150 4.491 4.640 0.002 0.000 0.194 269 D C 2.400 178.799 176.300 0.165 0.000 0.994 269 D CA 1.460 55.544 54.000 0.140 0.000 0.830 269 D CB -0.126 40.753 40.800 0.131 0.000 0.959 269 D HN 0.165 nan 8.370 nan 0.000 0.452 270 S N -0.640 115.174 115.700 0.190 0.000 2.402 270 S HA -0.102 4.369 4.470 0.002 0.000 0.229 270 S C 1.745 176.503 174.600 0.263 0.000 1.021 270 S CA 0.328 58.650 58.200 0.203 0.000 0.974 270 S CB -0.266 63.052 63.200 0.196 0.000 0.800 270 S HN 0.303 nan 8.310 nan 0.000 0.484 271 F N 1.788 121.806 119.950 0.114 0.000 2.128 271 F HA 0.034 4.562 4.527 0.002 0.000 0.295 271 F C 1.829 177.588 175.800 -0.068 0.000 1.100 271 F CA 0.910 58.886 58.000 -0.040 0.000 1.260 271 F CB -0.116 38.924 39.000 0.067 0.000 1.009 271 F HN 0.075 nan 8.300 nan 0.000 0.476 272 L N 0.065 121.476 121.223 0.313 0.000 2.042 272 L HA -0.267 4.074 4.340 0.002 0.000 0.210 272 L C 2.293 179.210 176.870 0.078 0.000 1.076 272 L CA 1.436 56.390 54.840 0.191 0.000 0.749 272 L CB -0.665 41.479 42.059 0.141 0.000 0.893 272 L HN 0.183 nan 8.230 nan 0.000 0.432 273 I N -0.655 119.943 120.570 0.047 0.000 2.286 273 I HA -0.275 3.896 4.170 0.002 0.000 0.248 273 I C 2.769 178.837 176.117 -0.082 0.000 1.115 273 I CA 0.914 62.212 61.300 -0.003 0.000 1.392 273 I CB -0.191 37.818 38.000 0.014 0.000 1.065 273 I HN 0.188 nan 8.210 nan 0.000 0.418 274 R N 1.111 121.500 120.500 -0.185 0.000 2.092 274 R HA -0.105 4.236 4.340 0.002 0.000 0.231 274 R C 2.153 178.238 176.300 -0.358 0.000 1.119 274 R CA 1.651 57.504 56.100 -0.412 0.000 0.970 274 R CB -0.372 29.410 30.300 -0.864 0.000 0.864 274 R HN 0.222 nan 8.270 nan 0.000 0.440 275 M N 0.123 119.605 119.600 -0.197 0.000 2.065 275 M HA -0.265 4.216 4.480 0.002 0.000 0.259 275 M C 2.346 178.649 176.300 0.004 0.000 1.069 275 M CA 2.107 57.405 55.300 -0.003 0.000 1.110 275 M CB -0.400 32.292 32.600 0.154 0.000 1.328 275 M HN 0.244 nan 8.290 nan 0.000 0.405 276 Q N 0.199 119.997 119.800 -0.003 0.000 2.096 276 Q HA -0.245 4.096 4.340 0.002 0.000 0.208 276 Q C 1.762 177.748 176.000 -0.022 0.000 0.993 276 Q CA 1.897 57.698 55.803 -0.003 0.000 0.862 276 Q CB -0.348 28.388 28.738 -0.004 0.000 0.915 276 Q HN 0.619 nan 8.270 nan 0.000 0.416 277 E N 0.089 120.254 120.200 -0.059 0.000 2.338 277 E HA -0.117 4.234 4.350 0.002 0.000 0.197 277 E C 1.163 177.728 176.600 -0.059 0.000 1.007 277 E CA 0.433 56.794 56.400 -0.066 0.000 0.849 277 E CB 0.183 29.823 29.700 -0.100 0.000 0.774 277 E HN 0.262 nan 8.360 nan 0.000 0.506 278 E N 0.385 120.554 120.200 -0.052 0.000 2.476 278 E HA 0.005 4.356 4.350 0.002 0.000 0.196 278 E C 0.960 177.585 176.600 0.043 0.000 1.029 278 E CA 0.070 56.469 56.400 -0.002 0.000 0.896 278 E CB 0.437 30.150 29.700 0.021 0.000 1.012 278 E HN 0.333 nan 8.360 nan 0.000 0.475 279 E N 1.147 121.366 120.200 0.031 0.000 2.110 279 E HA -0.174 4.177 4.350 0.002 0.000 0.193 279 E C 1.738 178.356 176.600 0.031 0.000 0.988 279 E CA 1.135 57.558 56.400 0.038 0.000 0.804 279 E CB 0.026 29.742 29.700 0.028 0.000 0.745 279 E HN 0.186 nan 8.360 nan 0.000 0.458 280 K N 0.615 121.027 120.400 0.020 0.000 2.525 280 K HA -0.006 4.315 4.320 0.002 0.000 0.192 280 K C 0.427 177.042 176.600 0.024 0.000 1.029 280 K CA 0.206 56.504 56.287 0.018 0.000 1.029 280 K CB 0.044 32.550 32.500 0.009 0.000 0.814 280 K HN -0.111 nan 8.250 nan 0.000 0.503 281 N N 2.239 120.960 118.700 0.036 0.000 2.437 281 N HA 0.134 4.875 4.740 0.002 0.000 0.259 281 N C -1.700 173.844 175.510 0.056 0.000 0.983 281 N CA -2.456 50.622 53.050 0.047 0.000 0.937 281 N CB 1.555 40.077 38.487 0.059 0.000 1.122 281 N HN -0.107 nan 8.380 nan 0.000 0.499 282 P HA -0.025 nan 4.420 nan 0.000 0.219 282 P C -0.008 177.324 177.300 0.053 0.000 1.150 282 P CA 0.983 64.107 63.100 0.040 0.000 0.814 282 P CB 0.533 32.250 31.700 0.028 0.000 0.787 283 N N -0.922 117.816 118.700 0.063 0.000 2.280 283 N HA -0.001 4.740 4.740 0.002 0.000 0.192 283 N C 0.697 176.273 175.510 0.110 0.000 1.109 283 N CA 0.289 53.383 53.050 0.074 0.000 0.855 283 N CB -0.494 38.027 38.487 0.056 0.000 0.974 283 N HN 0.098 nan 8.380 nan 0.000 0.482 284 T N 1.267 115.904 114.554 0.137 0.000 2.946 284 T HA -0.055 4.296 4.350 0.002 0.000 0.312 284 T C 1.137 175.969 174.700 0.219 0.000 1.066 284 T CA 0.320 62.530 62.100 0.183 0.000 1.138 284 T CB 0.740 69.743 68.868 0.224 0.000 1.014 284 T HN 0.055 nan 8.240 nan 0.000 0.544 285 E N 3.197 123.400 120.200 0.006 0.000 2.385 285 E HA 0.046 4.397 4.350 0.002 0.000 0.194 285 E C 0.139 176.413 176.600 -0.544 0.000 1.013 285 E CA 0.350 56.606 56.400 -0.240 0.000 0.866 285 E CB 0.055 29.487 29.700 -0.446 0.000 0.832 285 E HN 0.692 nan 8.360 nan 0.000 0.500 286 F N 2.345 122.216 119.950 -0.131 0.000 2.566 286 F HA 0.134 4.662 4.527 0.002 0.000 0.349 286 F C 0.217 176.087 175.800 0.117 0.000 1.245 286 F CA -0.607 57.308 58.000 -0.141 0.000 1.169 286 F CB -0.635 38.099 39.000 -0.443 0.000 1.470 286 F HN -0.115 nan 8.300 nan 0.000 0.634 287 Y N -0.466 120.035 120.300 0.336 0.000 2.705 287 Y HA 0.541 5.092 4.550 0.002 0.000 0.332 287 Y C 0.533 176.541 175.900 0.181 0.000 1.157 287 Y CA -1.679 56.555 58.100 0.223 0.000 1.091 287 Y CB 0.021 38.551 38.460 0.117 0.000 1.301 287 Y HN 0.069 nan 8.280 nan 0.000 0.488 288 L N 1.451 122.855 121.223 0.303 0.000 1.990 288 L HA -0.151 4.190 4.340 0.002 0.000 0.213 288 L C 2.276 179.170 176.870 0.039 0.000 1.072 288 L CA 2.493 57.405 54.840 0.120 0.000 0.755 288 L CB -0.760 41.354 42.059 0.092 0.000 0.889 288 L HN 0.898 nan 8.230 nan 0.000 0.432 289 K N -0.456 120.015 120.400 0.118 0.000 2.057 289 K HA -0.167 4.154 4.320 0.002 0.000 0.207 289 K C 1.911 178.487 176.600 -0.039 0.000 1.049 289 K CA 1.657 57.931 56.287 -0.022 0.000 0.931 289 K CB -0.280 32.104 32.500 -0.194 0.000 0.714 289 K HN 0.381 nan 8.250 nan 0.000 0.440 290 N N 0.419 119.044 118.700 -0.126 0.000 2.188 290 N HA -0.123 4.618 4.740 0.002 0.000 0.184 290 N C 1.502 176.879 175.510 -0.221 0.000 1.018 290 N CA 1.049 54.038 53.050 -0.101 0.000 0.858 290 N CB -0.333 38.015 38.487 -0.232 0.000 0.989 290 N HN 0.188 nan 8.380 nan 0.000 0.426 291 L N 1.148 122.022 121.223 -0.580 0.000 1.970 291 L HA -0.095 4.246 4.340 0.002 0.000 0.212 291 L C 2.021 178.693 176.870 -0.329 0.000 1.071 291 L CA 1.566 55.779 54.840 -1.046 0.000 0.751 291 L CB -1.072 40.413 42.059 -0.957 0.000 0.889 291 L HN -0.102 nan 8.230 nan 0.000 0.432 292 V N 0.065 119.896 119.914 -0.138 0.000 2.252 292 V HA -0.368 3.753 4.120 0.002 0.000 0.249 292 V C 2.732 178.897 176.094 0.119 0.000 1.056 292 V CA 2.329 64.635 62.300 0.010 0.000 1.022 292 V CB -0.718 31.114 31.823 0.015 0.000 0.641 292 V HN 0.486 nan 8.190 nan 0.000 0.445 293 M N -0.359 119.338 119.600 0.162 0.000 2.117 293 M HA -0.124 4.357 4.480 0.002 0.000 0.262 293 M C 2.286 178.781 176.300 0.326 0.000 1.065 293 M CA 2.016 57.545 55.300 0.383 0.000 1.114 293 M CB -1.918 30.983 32.600 0.502 0.000 1.361 293 M HN 0.422 nan 8.290 nan 0.000 0.408 294 T N 0.504 115.162 114.554 0.173 0.000 2.746 294 T HA -0.111 4.240 4.350 0.002 0.000 0.267 294 T C 1.853 176.605 174.700 0.086 0.000 1.039 294 T CA 1.968 64.160 62.100 0.153 0.000 1.142 294 T CB -0.403 68.628 68.868 0.271 0.000 0.866 294 T HN 0.411 nan 8.240 nan 0.000 0.444 295 T N 2.387 116.985 114.554 0.073 0.000 2.777 295 T HA -0.010 4.341 4.350 0.002 0.000 0.266 295 T C 1.892 176.688 174.700 0.160 0.000 1.040 295 T CA 0.737 62.844 62.100 0.012 0.000 1.141 295 T CB -0.454 68.464 68.868 0.083 0.000 0.868 295 T HN 0.124 nan 8.240 nan 0.000 0.444 296 L N 1.946 123.352 121.223 0.305 0.000 2.012 296 L HA -0.087 4.254 4.340 0.002 0.000 0.210 296 L C 1.847 178.978 176.870 0.434 0.000 1.073 296 L CA 1.785 56.911 54.840 0.476 0.000 0.748 296 L CB -1.129 41.242 42.059 0.520 0.000 0.891 296 L HN 0.245 nan 8.230 nan 0.000 0.431 297 N N -0.753 118.114 118.700 0.279 0.000 2.037 297 N HA -0.256 4.485 4.740 0.002 0.000 0.196 297 N C 1.896 177.441 175.510 0.058 0.000 1.034 297 N CA 1.907 54.983 53.050 0.042 0.000 0.861 297 N CB -0.332 38.080 38.487 -0.125 0.000 1.039 297 N HN 0.354 nan 8.380 nan 0.000 0.427 298 L N -0.379 120.864 121.223 0.034 0.000 1.994 298 L HA -0.161 4.180 4.340 0.002 0.000 0.208 298 L C 2.212 179.134 176.870 0.087 0.000 1.071 298 L CA 1.031 55.859 54.840 -0.018 0.000 0.745 298 L CB -0.515 41.433 42.059 -0.184 0.000 0.892 298 L HN 0.217 nan 8.230 nan 0.000 0.431 299 F N 0.188 120.142 119.950 0.007 0.000 2.161 299 F HA -0.295 4.233 4.527 0.002 0.000 0.300 299 F C 2.248 178.135 175.800 0.144 0.000 1.089 299 F CA 1.322 59.372 58.000 0.084 0.000 1.282 299 F CB -0.413 38.715 39.000 0.214 0.000 1.010 299 F HN -0.052 nan 8.300 nan 0.000 0.485 300 F N 0.538 120.449 119.950 -0.065 0.000 2.094 300 F HA 0.074 4.602 4.527 0.002 0.000 0.291 300 F C 2.436 178.113 175.800 -0.204 0.000 1.109 300 F CA 1.597 59.488 58.000 -0.182 0.000 1.221 300 F CB -1.152 37.844 39.000 -0.006 0.000 1.014 300 F HN -0.037 nan 8.300 nan 0.000 0.473 301 A N 0.114 123.072 122.820 0.230 0.000 1.933 301 A HA -0.025 4.296 4.320 0.002 0.000 0.218 301 A C 2.439 180.004 177.584 -0.031 0.000 1.175 301 A CA 1.533 53.610 52.037 0.066 0.000 0.628 301 A CB -1.816 17.160 19.000 -0.040 0.000 0.814 301 A HN 0.502 nan 8.150 nan 0.000 0.444 302 G N -1.441 107.341 108.800 -0.030 0.000 2.462 302 G HA2 -0.101 3.860 3.960 0.002 0.000 0.220 302 G HA3 -0.101 3.860 3.960 0.002 0.000 0.220 302 G C 1.441 176.306 174.900 -0.059 0.000 1.121 302 G CA 1.732 46.819 45.100 -0.022 0.000 0.758 302 G HN 0.465 nan 8.290 nan 0.000 0.559 303 T N -0.342 114.105 114.554 -0.179 0.000 2.988 303 T HA 0.088 4.439 4.350 0.002 0.000 0.240 303 T C 2.141 176.642 174.700 -0.331 0.000 1.014 303 T CA 0.985 62.925 62.100 -0.266 0.000 1.155 303 T CB 0.079 68.666 68.868 -0.469 0.000 0.872 303 T HN 0.221 nan 8.240 nan 0.000 0.440 304 E N 1.275 121.189 120.200 -0.477 0.000 2.112 304 E HA -0.067 4.284 4.350 0.002 0.000 0.190 304 E C 2.360 178.652 176.600 -0.513 0.000 0.979 304 E CA 1.473 57.488 56.400 -0.641 0.000 0.814 304 E CB -0.322 28.744 29.700 -1.057 0.000 0.762 304 E HN 0.612 nan 8.360 nan 0.000 0.460 305 T N -2.165 112.190 114.554 -0.332 0.000 2.857 305 T HA -0.057 4.294 4.350 0.002 0.000 0.266 305 T C 1.997 176.649 174.700 -0.080 0.000 1.048 305 T CA 1.090 63.098 62.100 -0.153 0.000 1.139 305 T CB -0.582 68.245 68.868 -0.068 0.000 0.874 305 T HN -0.025 nan 8.240 nan 0.000 0.455 306 V N 1.821 121.696 119.914 -0.065 0.000 2.358 306 V HA -0.138 3.983 4.120 0.002 0.000 0.246 306 V C 3.064 179.129 176.094 -0.048 0.000 1.047 306 V CA 1.855 64.148 62.300 -0.012 0.000 1.035 306 V CB -0.932 30.921 31.823 0.049 0.000 0.658 306 V HN 0.629 nan 8.190 nan 0.000 0.452 307 S N 0.032 115.667 115.700 -0.107 0.000 2.374 307 S HA -0.252 4.219 4.470 0.002 0.000 0.227 307 S C 2.021 176.573 174.600 -0.079 0.000 1.037 307 S CA 2.542 60.661 58.200 -0.136 0.000 1.024 307 S CB -0.427 62.635 63.200 -0.231 0.000 0.861 307 S HN 0.699 nan 8.310 nan 0.000 0.456 308 T N 0.996 115.518 114.554 -0.053 0.000 2.904 308 T HA -0.024 4.327 4.350 0.002 0.000 0.267 308 T C 1.896 176.676 174.700 0.134 0.000 1.059 308 T CA 1.647 63.778 62.100 0.052 0.000 1.137 308 T CB -0.729 68.225 68.868 0.143 0.000 0.879 308 T HN 0.531 nan 8.240 nan 0.000 0.467 309 T N 2.654 117.264 114.554 0.094 0.000 2.777 309 T HA 0.096 4.447 4.350 0.002 0.000 0.266 309 T C 1.999 176.785 174.700 0.142 0.000 1.040 309 T CA 0.789 62.969 62.100 0.133 0.000 1.141 309 T CB -0.398 68.520 68.868 0.083 0.000 0.868 309 T HN 0.263 nan 8.240 nan 0.000 0.444 310 L N 0.418 121.625 121.223 -0.027 0.000 2.027 310 L HA -0.003 4.338 4.340 0.002 0.000 0.206 310 L C 2.872 179.788 176.870 0.078 0.000 1.074 310 L CA 1.255 55.950 54.840 -0.242 0.000 0.745 310 L CB -0.537 41.349 42.059 -0.289 0.000 0.898 310 L HN 0.119 nan 8.230 nan 0.000 0.433 311 R N -0.422 120.207 120.500 0.214 0.000 2.080 311 R HA -0.245 4.096 4.340 0.002 0.000 0.236 311 R C 2.465 179.018 176.300 0.420 0.000 1.137 311 R CA 1.930 58.239 56.100 0.350 0.000 0.943 311 R CB -0.576 29.821 30.300 0.161 0.000 0.846 311 R HN 0.289 nan 8.270 nan 0.000 0.431 312 Y N -0.051 120.366 120.300 0.195 0.000 2.207 312 Y HA -0.189 4.362 4.550 0.002 0.000 0.287 312 Y C 2.233 178.167 175.900 0.056 0.000 1.156 312 Y CA 0.876 59.058 58.100 0.138 0.000 1.182 312 Y CB -0.249 38.282 38.460 0.119 0.000 0.979 312 Y HN 0.347 nan 8.280 nan 0.000 0.521 313 G N -0.349 108.615 108.800 0.273 0.000 2.446 313 G HA2 -0.297 3.664 3.960 0.002 0.000 0.217 313 G HA3 -0.297 3.664 3.960 0.002 0.000 0.217 313 G C 1.411 176.297 174.900 -0.024 0.000 1.168 313 G CA 1.085 46.234 45.100 0.082 0.000 0.771 313 G HN 0.445 nan 8.290 nan 0.000 0.551 314 F N -0.100 120.020 119.950 0.283 0.000 2.134 314 F HA 0.002 4.530 4.527 0.002 0.000 0.299 314 F C 2.481 178.231 175.800 -0.083 0.000 1.097 314 F CA 0.449 58.540 58.000 0.152 0.000 1.264 314 F CB -0.314 38.837 39.000 0.251 0.000 1.001 314 F HN 0.103 nan 8.300 nan 0.000 0.479 315 L N 0.421 121.636 121.223 -0.013 0.000 2.013 315 L HA -0.235 4.106 4.340 0.002 0.000 0.212 315 L C 2.115 178.851 176.870 -0.224 0.000 1.073 315 L CA 1.794 56.444 54.840 -0.316 0.000 0.753 315 L CB -0.798 41.056 42.059 -0.342 0.000 0.890 315 L HN 0.111 nan 8.230 nan 0.000 0.432 316 L N -1.509 119.577 121.223 -0.228 0.000 2.046 316 L HA -0.237 4.104 4.340 0.002 0.000 0.208 316 L C 2.450 179.090 176.870 -0.383 0.000 1.077 316 L CA 1.145 55.684 54.840 -0.500 0.000 0.747 316 L CB -0.462 40.969 42.059 -1.048 0.000 0.896 316 L HN 0.296 nan 8.230 nan 0.000 0.432 317 L N -1.216 119.862 121.223 -0.241 0.000 2.141 317 L HA -0.209 4.132 4.340 0.002 0.000 0.209 317 L C 2.540 179.384 176.870 -0.043 0.000 1.094 317 L CA 1.171 55.963 54.840 -0.080 0.000 0.763 317 L CB -0.291 41.760 42.059 -0.014 0.000 0.908 317 L HN 0.335 nan 8.230 nan 0.000 0.437 318 M N -0.717 118.829 119.600 -0.090 0.000 2.288 318 M HA -0.154 4.327 4.480 0.002 0.000 0.266 318 M C 2.237 178.445 176.300 -0.154 0.000 1.072 318 M CA 1.227 56.460 55.300 -0.112 0.000 1.132 318 M CB -0.099 32.408 32.600 -0.155 0.000 1.386 318 M HN -0.002 nan 8.290 nan 0.000 0.432 319 K N 0.035 120.299 120.400 -0.226 0.000 2.211 319 K HA -0.076 4.245 4.320 0.002 0.000 0.203 319 K C 0.146 176.444 176.600 -0.504 0.000 1.050 319 K CA 1.086 57.156 56.287 -0.361 0.000 0.945 319 K CB 0.143 32.380 32.500 -0.438 0.000 0.732 319 K HN 0.308 nan 8.250 nan 0.000 0.451 320 H N -0.175 118.840 119.070 -0.090 0.000 2.530 320 H HA 0.202 4.758 4.556 0.002 0.000 0.246 320 H C -2.199 173.134 175.328 0.009 0.000 1.346 320 H CA -2.017 54.026 56.048 -0.009 0.000 1.424 320 H CB 1.514 31.322 29.762 0.076 0.000 1.445 320 H HN 0.115 nan 8.280 nan 0.000 0.511 321 P HA -0.086 nan 4.420 nan 0.000 0.223 321 P C 1.218 178.562 177.300 0.073 0.000 1.151 321 P CA 0.956 64.087 63.100 0.052 0.000 0.787 321 P CB 0.551 32.265 31.700 0.024 0.000 0.788 322 E N -0.592 119.662 120.200 0.090 0.000 2.208 322 E HA -0.060 4.291 4.350 0.002 0.000 0.193 322 E C 1.765 178.418 176.600 0.089 0.000 0.988 322 E CA 0.776 57.221 56.400 0.076 0.000 0.828 322 E CB -0.284 29.461 29.700 0.075 0.000 0.763 322 E HN 0.131 nan 8.360 nan 0.000 0.478 323 V N 1.333 121.337 119.914 0.151 0.000 2.407 323 V HA -0.189 3.932 4.120 0.002 0.000 0.245 323 V C 2.345 178.530 176.094 0.152 0.000 1.041 323 V CA 1.514 63.945 62.300 0.218 0.000 1.040 323 V CB -0.371 31.611 31.823 0.265 0.000 0.671 323 V HN 0.237 nan 8.190 nan 0.000 0.455 324 E N 0.629 120.873 120.200 0.073 0.000 2.097 324 E HA -0.282 4.069 4.350 0.002 0.000 0.196 324 E C 2.208 178.746 176.600 -0.102 0.000 1.000 324 E CA 1.650 58.018 56.400 -0.054 0.000 0.804 324 E CB -0.150 29.532 29.700 -0.030 0.000 0.740 324 E HN 0.563 nan 8.360 nan 0.000 0.454 325 A N 1.316 124.151 122.820 0.026 0.000 1.873 325 A HA -0.184 4.137 4.320 0.002 0.000 0.215 325 A C 2.039 179.637 177.584 0.024 0.000 1.186 325 A CA 1.642 53.724 52.037 0.075 0.000 0.616 325 A CB -0.339 18.697 19.000 0.059 0.000 0.823 325 A HN 0.148 nan 8.150 nan 0.000 0.442 326 K N -0.368 119.994 120.400 -0.063 0.000 2.147 326 K HA -0.047 4.274 4.320 0.002 0.000 0.205 326 K C 1.844 178.359 176.600 -0.143 0.000 1.049 326 K CA 1.226 57.373 56.287 -0.233 0.000 0.936 326 K CB -0.323 31.799 32.500 -0.630 0.000 0.722 326 K HN 0.313 nan 8.250 nan 0.000 0.446 327 V N 0.878 120.806 119.914 0.024 0.000 2.307 327 V HA -0.253 3.868 4.120 0.002 0.000 0.245 327 V C 1.869 178.005 176.094 0.069 0.000 1.045 327 V CA 1.773 64.128 62.300 0.091 0.000 1.024 327 V CB -0.560 31.278 31.823 0.025 0.000 0.651 327 V HN 0.364 nan 8.190 nan 0.000 0.449 328 H N -0.723 118.391 119.070 0.072 0.000 2.387 328 H HA -0.173 4.384 4.556 0.002 0.000 0.299 328 H C 2.498 177.845 175.328 0.031 0.000 1.099 328 H CA 1.412 57.493 56.048 0.056 0.000 1.315 328 H CB 0.154 29.947 29.762 0.051 0.000 1.380 328 H HN 0.347 nan 8.280 nan 0.000 0.513 329 E N 1.312 121.588 120.200 0.127 0.000 2.038 329 E HA -0.232 4.119 4.350 0.002 0.000 0.195 329 E C 2.048 178.678 176.600 0.051 0.000 1.000 329 E CA 1.377 57.810 56.400 0.054 0.000 0.803 329 E CB -0.012 29.684 29.700 -0.006 0.000 0.750 329 E HN 0.580 nan 8.360 nan 0.000 0.448 330 E N -0.105 120.127 120.200 0.054 0.000 2.072 330 E HA -0.123 4.228 4.350 0.002 0.000 0.191 330 E C 2.444 179.096 176.600 0.086 0.000 0.985 330 E CA 0.709 57.150 56.400 0.068 0.000 0.801 330 E CB -0.056 29.702 29.700 0.096 0.000 0.750 330 E HN 0.264 nan 8.360 nan 0.000 0.452 331 I N 1.606 122.239 120.570 0.105 0.000 2.127 331 I HA -0.305 3.866 4.170 0.002 0.000 0.241 331 I C 1.893 178.059 176.117 0.081 0.000 1.075 331 I CA 1.368 62.731 61.300 0.104 0.000 1.334 331 I CB -0.208 37.871 38.000 0.133 0.000 1.040 331 I HN 0.091 nan 8.210 nan 0.000 0.405 332 D N 0.181 120.625 120.400 0.074 0.000 2.117 332 D HA -0.211 4.430 4.640 0.002 0.000 0.197 332 D C 2.169 178.492 176.300 0.038 0.000 0.987 332 D CA 1.157 55.185 54.000 0.046 0.000 0.829 332 D CB -0.309 40.512 40.800 0.036 0.000 0.961 332 D HN 0.279 nan 8.370 nan 0.000 0.460 333 R N 0.466 120.991 120.500 0.041 0.000 2.057 333 R HA -0.060 4.281 4.340 0.002 0.000 0.229 333 R C 2.070 178.392 176.300 0.037 0.000 1.136 333 R CA 1.027 57.147 56.100 0.033 0.000 0.952 333 R CB -0.179 30.139 30.300 0.029 0.000 0.848 333 R HN 0.004 nan 8.270 nan 0.000 0.430 334 V N 0.391 120.336 119.914 0.050 0.000 2.446 334 V HA -0.105 4.016 4.120 0.002 0.000 0.244 334 V C 2.131 178.259 176.094 0.057 0.000 1.039 334 V CA 1.534 63.867 62.300 0.055 0.000 1.045 334 V CB -0.110 31.756 31.823 0.073 0.000 0.681 334 V HN 0.334 nan 8.190 nan 0.000 0.459 335 I N -1.595 119.013 120.570 0.064 0.000 2.899 335 I HA 0.438 4.609 4.170 0.002 0.000 0.257 335 I C 1.575 177.718 176.117 0.044 0.000 1.115 335 I CA 1.021 62.358 61.300 0.062 0.000 1.451 335 I CB -0.011 38.035 38.000 0.078 0.000 1.251 335 I HN 0.463 nan 8.210 nan 0.000 0.456 336 G N 1.474 110.297 108.800 0.039 0.000 2.578 336 G HA2 -0.241 3.720 3.960 0.002 0.000 0.232 336 G HA3 -0.241 3.720 3.960 0.002 0.000 0.232 336 G C 0.361 175.272 174.900 0.017 0.000 1.176 336 G CA 0.239 45.354 45.100 0.025 0.000 0.968 336 G HN 0.237 nan 8.290 nan 0.000 0.583 337 K N -0.471 119.934 120.400 0.008 0.000 2.564 337 K HA 0.162 4.483 4.320 0.002 0.000 0.177 337 K C 0.912 177.508 176.600 -0.006 0.000 1.518 337 K CA 0.428 56.712 56.287 -0.004 0.000 1.076 337 K CB 0.119 32.608 32.500 -0.018 0.000 1.335 337 K HN 0.309 nan 8.250 nan 0.000 0.571 338 N N 1.092 119.793 118.700 0.002 0.000 2.282 338 N HA 0.027 4.768 4.740 0.002 0.000 0.185 338 N C -0.269 175.245 175.510 0.007 0.000 1.099 338 N CA 0.040 53.092 53.050 0.002 0.000 0.878 338 N CB 0.504 38.993 38.487 0.004 0.000 0.993 338 N HN 0.137 nan 8.380 nan 0.000 0.481 339 R N 0.486 120.994 120.500 0.013 0.000 2.698 339 R HA 0.237 4.578 4.340 0.002 0.000 0.275 339 R C -1.092 175.223 176.300 0.026 0.000 1.001 339 R CA -1.024 55.087 56.100 0.019 0.000 0.896 339 R CB 0.746 31.060 30.300 0.024 0.000 1.218 339 R HN -0.061 nan 8.270 nan 0.000 0.462 340 Q N 1.624 121.440 119.800 0.027 0.000 2.361 340 Q HA 0.251 4.592 4.340 0.002 0.000 0.276 340 Q C -2.016 174.020 176.000 0.061 0.000 1.022 340 Q CA -1.586 54.239 55.803 0.036 0.000 0.898 340 Q CB 0.154 28.908 28.738 0.027 0.000 1.246 340 Q HN 0.358 nan 8.270 nan 0.000 0.410 341 P HA -0.009 nan 4.420 nan 0.000 0.270 341 P C -0.997 176.403 177.300 0.167 0.000 1.223 341 P CA 0.105 63.278 63.100 0.123 0.000 0.785 341 P CB 0.485 32.227 31.700 0.069 0.000 0.923 342 K N 0.402 120.953 120.400 0.251 0.000 2.466 342 K HA 0.385 4.706 4.320 0.002 0.000 0.260 342 K C -0.051 176.773 176.600 0.374 0.000 1.011 342 K CA -0.658 55.780 56.287 0.253 0.000 0.871 342 K CB 0.451 33.039 32.500 0.146 0.000 1.404 342 K HN 0.058 nan 8.250 nan 0.000 0.450 343 F N 1.516 121.519 119.950 0.087 0.000 2.293 343 F HA -0.009 4.519 4.527 0.002 0.000 0.300 343 F C 1.751 177.411 175.800 -0.235 0.000 1.086 343 F CA 1.373 59.322 58.000 -0.086 0.000 1.375 343 F CB -0.126 38.832 39.000 -0.070 0.000 1.045 343 F HN 0.826 nan 8.300 nan 0.000 0.516 344 E N -0.032 120.093 120.200 -0.125 0.000 2.097 344 E HA -0.260 4.091 4.350 0.002 0.000 0.196 344 E C 1.693 178.150 176.600 -0.238 0.000 1.000 344 E CA 1.575 57.858 56.400 -0.194 0.000 0.804 344 E CB -0.208 29.455 29.700 -0.062 0.000 0.740 344 E HN 0.398 nan 8.360 nan 0.000 0.454 345 D N -0.102 120.228 120.400 -0.117 0.000 2.309 345 D HA -0.167 4.474 4.640 0.002 0.000 0.212 345 D C 1.731 177.961 176.300 -0.117 0.000 0.968 345 D CA 0.530 54.532 54.000 0.003 0.000 0.882 345 D CB -0.208 40.742 40.800 0.250 0.000 0.918 345 D HN 0.148 nan 8.370 nan 0.000 0.503 346 R N 0.880 121.004 120.500 -0.626 0.000 2.103 346 R HA -0.165 4.176 4.340 0.002 0.000 0.242 346 R C 2.099 178.169 176.300 -0.382 0.000 1.142 346 R CA 1.489 57.118 56.100 -0.785 0.000 0.960 346 R CB -0.107 29.400 30.300 -1.322 0.000 0.858 346 R HN 0.113 nan 8.270 nan 0.000 0.439 347 A N 0.969 123.589 122.820 -0.334 0.000 1.933 347 A HA -0.136 4.185 4.320 0.002 0.000 0.218 347 A C 1.573 179.093 177.584 -0.107 0.000 1.175 347 A CA 1.427 53.338 52.037 -0.209 0.000 0.628 347 A CB -0.127 18.763 19.000 -0.182 0.000 0.814 347 A HN 0.298 nan 8.150 nan 0.000 0.444 348 K N -1.231 119.127 120.400 -0.069 0.000 2.410 348 K HA 0.319 4.640 4.320 0.002 0.000 0.200 348 K C -0.153 176.463 176.600 0.028 0.000 1.023 348 K CA 0.051 56.331 56.287 -0.012 0.000 1.149 348 K CB 0.276 32.776 32.500 -0.000 0.000 0.859 348 K HN 0.446 nan 8.250 nan 0.000 0.514 349 M N 1.876 121.493 119.600 0.029 0.000 3.074 349 M HA 0.138 4.619 4.480 0.002 0.000 0.252 349 M C -1.923 174.429 176.300 0.086 0.000 1.181 349 M CA -1.555 53.804 55.300 0.098 0.000 0.771 349 M CB 0.953 33.671 32.600 0.197 0.000 1.375 349 M HN -0.176 nan 8.290 nan 0.000 0.512 350 P HA -0.213 nan 4.420 nan 0.000 0.219 350 P C 1.065 178.452 177.300 0.145 0.000 1.146 350 P CA 1.490 64.650 63.100 0.099 0.000 0.808 350 P CB 0.056 31.838 31.700 0.137 0.000 0.779 351 Y N 0.312 120.647 120.300 0.058 0.000 2.220 351 Y HA -0.078 4.473 4.550 0.002 0.000 0.291 351 Y C 2.702 178.626 175.900 0.039 0.000 1.129 351 Y CA 1.474 59.603 58.100 0.049 0.000 1.161 351 Y CB -0.698 37.780 38.460 0.029 0.000 0.997 351 Y HN -0.235 nan 8.280 nan 0.000 0.522 352 M N 0.651 120.326 119.600 0.126 0.000 2.117 352 M HA -0.165 4.316 4.480 0.002 0.000 0.262 352 M C 2.028 178.338 176.300 0.016 0.000 1.065 352 M CA 2.226 57.561 55.300 0.058 0.000 1.114 352 M CB -0.444 32.246 32.600 0.149 0.000 1.361 352 M HN 0.310 nan 8.290 nan 0.000 0.408 353 E N -0.272 119.933 120.200 0.009 0.000 2.110 353 E HA -0.130 4.221 4.350 0.002 0.000 0.193 353 E C 1.777 178.303 176.600 -0.123 0.000 0.988 353 E CA 1.638 57.968 56.400 -0.118 0.000 0.804 353 E CB -0.278 29.157 29.700 -0.441 0.000 0.745 353 E HN 0.595 nan 8.360 nan 0.000 0.458 354 A N -0.054 122.736 122.820 -0.049 0.000 2.066 354 A HA -0.037 4.284 4.320 0.002 0.000 0.218 354 A C 2.305 179.772 177.584 -0.195 0.000 1.157 354 A CA 1.048 53.083 52.037 -0.005 0.000 0.670 354 A CB -0.228 18.799 19.000 0.045 0.000 0.804 354 A HN 0.230 nan 8.150 nan 0.000 0.453 355 V N -0.011 119.732 119.914 -0.284 0.000 2.407 355 V HA -0.175 3.946 4.120 0.002 0.000 0.245 355 V C 2.344 178.335 176.094 -0.171 0.000 1.041 355 V CA 1.758 63.881 62.300 -0.295 0.000 1.040 355 V CB -0.449 31.189 31.823 -0.308 0.000 0.671 355 V HN 0.581 nan 8.190 nan 0.000 0.455 356 I N -0.703 119.792 120.570 -0.125 0.000 2.286 356 I HA -0.213 3.958 4.170 0.002 0.000 0.245 356 I C 2.471 178.570 176.117 -0.029 0.000 1.104 356 I CA 1.437 62.712 61.300 -0.042 0.000 1.397 356 I CB -0.536 37.533 38.000 0.115 0.000 1.072 356 I HN 0.343 nan 8.210 nan 0.000 0.417 357 H N 0.449 119.333 119.070 -0.310 0.000 2.289 357 H HA -0.234 4.323 4.556 0.002 0.000 0.296 357 H C 2.128 177.212 175.328 -0.406 0.000 1.091 357 H CA 1.900 57.526 56.048 -0.703 0.000 1.274 357 H CB -0.140 28.588 29.762 -1.724 0.000 1.364 357 H HN 0.199 nan 8.280 nan 0.000 0.490 358 E N 0.442 120.553 120.200 -0.148 0.000 2.204 358 E HA -0.100 4.251 4.350 0.002 0.000 0.195 358 E C 2.030 178.772 176.600 0.237 0.000 0.990 358 E CA 0.762 57.226 56.400 0.107 0.000 0.821 358 E CB -0.316 29.280 29.700 -0.173 0.000 0.750 358 E HN 0.510 nan 8.360 nan 0.000 0.477 359 I N 0.202 120.899 120.570 0.212 0.000 2.202 359 I HA -0.285 3.886 4.170 0.002 0.000 0.242 359 I C 2.383 178.586 176.117 0.144 0.000 1.091 359 I CA 1.180 62.611 61.300 0.218 0.000 1.368 359 I CB -0.263 37.780 38.000 0.072 0.000 1.058 359 I HN 0.195 nan 8.210 nan 0.000 0.410 360 Q N 0.093 119.978 119.800 0.140 0.000 2.124 360 Q HA -0.242 4.099 4.340 0.002 0.000 0.202 360 Q C 2.334 178.362 176.000 0.046 0.000 0.977 360 Q CA 1.309 57.160 55.803 0.080 0.000 0.850 360 Q CB -0.236 28.572 28.738 0.117 0.000 0.901 360 Q HN 0.420 nan 8.270 nan 0.000 0.429 361 R N 0.090 120.709 120.500 0.198 0.000 2.062 361 R HA -0.144 4.197 4.340 0.002 0.000 0.231 361 R C 2.084 178.380 176.300 -0.006 0.000 1.136 361 R CA 1.258 57.423 56.100 0.109 0.000 0.948 361 R CB -0.276 30.155 30.300 0.219 0.000 0.845 361 R HN 0.218 nan 8.270 nan 0.000 0.430 362 F N 0.589 120.512 119.950 -0.045 0.000 2.113 362 F HA 0.002 4.530 4.527 0.002 0.000 0.297 362 F C 2.103 177.744 175.800 -0.266 0.000 1.103 362 F CA 1.829 59.772 58.000 -0.095 0.000 1.248 362 F CB -0.569 38.470 39.000 0.064 0.000 0.999 362 F HN 0.141 nan 8.300 nan 0.000 0.475 363 G N -0.802 107.921 108.800 -0.129 0.000 2.450 363 G HA2 -0.317 3.644 3.960 0.002 0.000 0.220 363 G HA3 -0.317 3.644 3.960 0.002 0.000 0.220 363 G C 0.381 175.175 174.900 -0.176 0.000 1.130 363 G CA 0.987 45.884 45.100 -0.338 0.000 0.760 363 G HN 0.447 nan 8.290 nan 0.000 0.557 364 D N -0.970 119.315 120.400 -0.192 0.000 2.697 364 D HA -0.151 4.490 4.640 0.002 0.000 0.235 364 D C 1.486 177.677 176.300 -0.181 0.000 1.167 364 D CA 0.622 54.487 54.000 -0.225 0.000 0.656 364 D CB -1.150 39.465 40.800 -0.309 0.000 1.025 364 D HN 0.165 nan 8.370 nan 0.000 0.419 365 V N 0.170 120.000 119.914 -0.139 0.000 2.407 365 V HA -0.151 3.970 4.120 0.002 0.000 0.248 365 V C 1.643 177.634 176.094 -0.172 0.000 1.055 365 V CA 1.095 63.355 62.300 -0.067 0.000 1.049 365 V CB -0.119 31.708 31.823 0.007 0.000 0.662 365 V HN 0.480 nan 8.190 nan 0.000 0.455 366 I N 1.635 122.050 120.570 -0.259 0.000 2.697 366 I HA 0.236 4.407 4.170 0.002 0.000 0.279 366 I C -1.713 174.211 176.117 -0.323 0.000 1.171 366 I CA -1.839 59.229 61.300 -0.387 0.000 1.135 366 I CB 0.845 38.610 38.000 -0.391 0.000 1.445 366 I HN 0.204 nan 8.210 nan 0.000 0.541 367 P HA -0.020 nan 4.420 nan 0.000 0.221 367 P C 1.023 178.264 177.300 -0.098 0.000 1.150 367 P CA 1.249 64.213 63.100 -0.227 0.000 0.800 367 P CB 0.445 31.967 31.700 -0.297 0.000 0.787 368 M N -1.069 118.448 119.600 -0.138 0.000 2.589 368 M HA 0.320 4.801 4.480 0.002 0.000 0.344 368 M C 0.777 176.952 176.300 -0.209 0.000 1.168 368 M CA -0.086 55.145 55.300 -0.114 0.000 0.956 368 M CB 0.579 33.090 32.600 -0.148 0.000 1.370 368 M HN -0.087 nan 8.290 nan 0.000 0.518 369 G N 2.280 110.962 108.800 -0.196 0.000 2.682 369 G HA2 -0.262 3.699 3.960 0.002 0.000 0.256 369 G HA3 -0.262 3.699 3.960 0.002 0.000 0.256 369 G C -1.045 173.781 174.900 -0.124 0.000 1.333 369 G CA -0.662 44.338 45.100 -0.167 0.000 0.904 369 G HN 0.357 nan 8.290 nan 0.000 0.569 370 L N 0.665 121.872 121.223 -0.027 0.000 2.287 370 L HA 0.765 5.106 4.340 0.002 0.000 0.287 370 L C 1.069 177.954 176.870 0.026 0.000 1.022 370 L CA 0.408 55.307 54.840 0.097 0.000 0.814 370 L CB 0.926 43.051 42.059 0.109 0.000 1.217 370 L HN 1.827 nan 8.230 nan 0.000 0.420 371 A N 5.185 128.027 122.820 0.036 0.000 2.587 371 A HA 0.304 4.625 4.320 0.002 0.000 0.235 371 A C 0.297 177.929 177.584 0.080 0.000 1.044 371 A CA 0.125 52.210 52.037 0.080 0.000 0.754 371 A CB -0.111 19.002 19.000 0.189 0.000 0.968 371 A HN 0.714 nan 8.150 nan 0.000 0.509 372 R N 0.707 121.256 120.500 0.082 0.000 2.705 372 R HA 0.693 5.034 4.340 0.002 0.000 0.246 372 R C -0.059 176.273 176.300 0.054 0.000 1.142 372 R CA -0.658 55.484 56.100 0.069 0.000 1.114 372 R CB 0.859 31.218 30.300 0.097 0.000 1.256 372 R HN 0.847 nan 8.270 nan 0.000 0.536 373 R N 0.053 120.563 120.500 0.016 0.000 2.584 373 R HA 0.247 4.588 4.340 0.002 0.000 0.276 373 R C -0.854 175.367 176.300 -0.132 0.000 1.046 373 R CA -0.684 55.388 56.100 -0.046 0.000 0.906 373 R CB 1.841 32.121 30.300 -0.032 0.000 1.215 373 R HN 0.478 nan 8.270 nan 0.000 0.449 374 V N 2.122 121.887 119.914 -0.248 0.000 2.485 374 V HA 0.144 4.265 4.120 0.002 0.000 0.287 374 V C 0.973 176.933 176.094 -0.224 0.000 1.022 374 V CA -0.224 61.846 62.300 -0.383 0.000 1.067 374 V CB 1.306 32.814 31.823 -0.525 0.000 0.967 374 V HN 0.777 nan 8.190 nan 0.000 0.479 375 K N 3.259 123.545 120.400 -0.189 0.000 2.155 375 K HA 0.092 4.413 4.320 0.002 0.000 0.203 375 K C 0.468 177.012 176.600 -0.094 0.000 1.052 375 K CA 1.391 57.613 56.287 -0.108 0.000 0.948 375 K CB -0.034 32.423 32.500 -0.072 0.000 0.728 375 K HN 0.908 nan 8.250 nan 0.000 0.448 376 K N -0.710 119.619 120.400 -0.119 0.000 2.499 376 K HA 0.257 4.578 4.320 0.002 0.000 0.277 376 K C -1.503 175.025 176.600 -0.119 0.000 1.025 376 K CA -0.885 55.353 56.287 -0.082 0.000 0.900 376 K CB 0.856 33.333 32.500 -0.038 0.000 1.494 376 K HN -0.286 nan 8.250 nan 0.000 0.442 377 D N 1.525 121.889 120.400 -0.060 0.000 2.581 377 D HA 0.049 4.690 4.640 0.002 0.000 0.238 377 D C -0.767 175.511 176.300 -0.036 0.000 1.145 377 D CA 0.973 54.942 54.000 -0.052 0.000 0.866 377 D CB 0.203 41.133 40.800 0.217 0.000 1.151 377 D HN 0.282 nan 8.370 nan 0.000 0.500 378 T N 3.270 117.723 114.554 -0.169 0.000 2.881 378 T HA 0.329 4.680 4.350 0.002 0.000 0.290 378 T C -0.061 174.666 174.700 0.045 0.000 1.000 378 T CA -0.934 61.118 62.100 -0.079 0.000 0.978 378 T CB 1.349 70.069 68.868 -0.245 0.000 0.997 378 T HN 0.083 nan 8.240 nan 0.000 0.443 379 K N 2.471 122.975 120.400 0.173 0.000 2.234 379 K HA 0.523 4.844 4.320 0.002 0.000 0.277 379 K C -1.220 175.559 176.600 0.298 0.000 1.038 379 K CA -0.594 55.836 56.287 0.238 0.000 0.888 379 K CB 1.063 33.679 32.500 0.194 0.000 1.091 379 K HN 0.473 nan 8.250 nan 0.000 0.467 380 F N 3.637 123.688 119.950 0.168 0.000 2.536 380 F HA 0.330 4.858 4.527 0.001 0.000 0.322 380 F C 0.550 176.408 175.800 0.097 0.000 1.144 380 F CA -0.373 57.747 58.000 0.201 0.000 0.924 380 F CB 0.694 39.916 39.000 0.369 0.000 1.181 380 F HN 0.656 nan 8.300 nan 0.000 0.438 381 R N 2.094 122.262 120.500 -0.554 0.000 3.793 381 R HA -0.291 4.050 4.340 0.002 0.000 0.464 381 R C -0.002 175.991 176.300 -0.511 0.000 0.241 381 R CA 1.965 57.711 56.100 -0.589 0.000 1.464 381 R CB -1.012 28.842 30.300 -0.744 0.000 0.954 381 R HN 0.679 nan 8.270 nan 0.000 0.583 382 D N 0.742 120.582 120.400 -0.933 0.000 2.325 382 D HA 0.189 4.830 4.640 0.002 0.000 0.225 382 D C -0.319 175.712 176.300 -0.449 0.000 1.096 382 D CA 0.576 54.178 54.000 -0.663 0.000 0.844 382 D CB -0.002 40.469 40.800 -0.549 0.000 0.925 382 D HN 0.040 nan 8.370 nan 0.000 0.513 383 F N 0.014 120.039 119.950 0.124 0.000 2.522 383 F HA 0.399 4.927 4.527 0.001 0.000 0.324 383 F C -0.053 175.893 175.800 0.243 0.000 1.077 383 F CA -1.608 56.502 58.000 0.183 0.000 0.944 383 F CB 1.343 40.458 39.000 0.193 0.000 1.175 383 F HN -0.287 nan 8.300 nan 0.000 0.468 384 F N 3.334 123.451 119.950 0.279 0.000 2.415 384 F HA 0.682 5.210 4.527 0.002 0.000 0.348 384 F C -1.485 174.402 175.800 0.145 0.000 1.119 384 F CA -1.025 57.078 58.000 0.171 0.000 1.069 384 F CB 0.838 39.904 39.000 0.110 0.000 1.124 384 F HN 0.259 nan 8.300 nan 0.000 0.472 385 L N 8.784 129.655 121.223 -0.587 0.000 2.316 385 L HA 0.504 4.845 4.340 0.002 0.000 0.280 385 L C -2.322 173.991 176.870 -0.928 0.000 1.006 385 L CA -1.795 52.698 54.840 -0.578 0.000 0.836 385 L CB 1.418 43.305 42.059 -0.287 0.000 1.221 385 L HN 0.484 nan 8.230 nan 0.000 0.418 386 P HA 0.056 nan 4.420 nan 0.000 0.275 386 P C -0.633 176.500 177.300 -0.279 0.000 1.228 386 P CA -0.690 62.107 63.100 -0.504 0.000 0.786 386 P CB 0.527 32.126 31.700 -0.169 0.000 0.927 387 K N 1.917 122.212 120.400 -0.175 0.000 2.513 387 K HA -0.028 4.293 4.320 0.002 0.000 0.275 387 K C 1.071 177.604 176.600 -0.112 0.000 1.025 387 K CA 1.453 57.664 56.287 -0.126 0.000 1.125 387 K CB -0.960 31.504 32.500 -0.059 0.000 0.843 387 K HN 0.841 nan 8.250 nan 0.000 0.486 388 G N 2.824 111.552 108.800 -0.120 0.000 2.148 388 G HA2 -0.250 3.711 3.960 0.002 0.000 0.254 388 G HA3 -0.250 3.711 3.960 0.002 0.000 0.254 388 G C 0.102 174.942 174.900 -0.101 0.000 0.981 388 G CA 0.470 45.514 45.100 -0.092 0.000 0.670 388 G HN 0.678 nan 8.290 nan 0.000 0.528 389 T N 1.707 116.175 114.554 -0.144 0.000 2.817 389 T HA 0.347 4.698 4.350 0.002 0.000 0.295 389 T C 0.606 175.231 174.700 -0.124 0.000 0.958 389 T CA 0.254 62.265 62.100 -0.149 0.000 1.157 389 T CB 1.008 69.761 68.868 -0.192 0.000 0.898 389 T HN 0.440 nan 8.240 nan 0.000 0.536 390 E N 1.750 121.890 120.200 -0.099 0.000 2.383 390 E HA 0.335 4.686 4.350 0.002 0.000 0.264 390 E C -0.615 175.954 176.600 -0.052 0.000 1.050 390 E CA -0.318 56.052 56.400 -0.050 0.000 0.896 390 E CB 0.843 30.522 29.700 -0.035 0.000 0.982 390 E HN 0.274 nan 8.360 nan 0.000 0.424 391 V N 3.457 123.394 119.914 0.038 0.000 2.623 391 V HA 0.151 4.272 4.120 0.002 0.000 0.304 391 V C -1.178 175.028 176.094 0.187 0.000 1.054 391 V CA -0.716 61.619 62.300 0.057 0.000 0.882 391 V CB 1.202 33.090 31.823 0.109 0.000 1.002 391 V HN 0.635 nan 8.190 nan 0.000 0.424 392 Y N 5.792 126.030 120.300 -0.104 0.000 2.535 392 Y HA 0.311 4.862 4.550 0.002 0.000 0.349 392 Y C -2.017 173.818 175.900 -0.109 0.000 0.992 392 Y CA -2.519 55.528 58.100 -0.088 0.000 1.248 392 Y CB 1.704 40.101 38.460 -0.105 0.000 1.124 392 Y HN 0.445 nan 8.280 nan 0.000 0.520 393 P HA 0.059 nan 4.420 nan 0.000 0.284 393 P C -0.407 176.872 177.300 -0.034 0.000 1.343 393 P CA -0.178 62.893 63.100 -0.049 0.000 0.826 393 P CB 0.592 32.246 31.700 -0.077 0.000 0.956 394 M N 4.546 124.145 119.600 -0.001 0.000 3.237 394 M HA 0.097 4.578 4.480 0.002 0.000 0.266 394 M C 1.233 177.568 176.300 0.058 0.000 1.456 394 M CA 0.029 55.363 55.300 0.056 0.000 1.593 394 M CB -0.591 32.061 32.600 0.087 0.000 1.129 394 M HN 0.322 nan 8.290 nan 0.000 0.547 395 L N 0.764 121.982 121.223 -0.009 0.000 2.127 395 L HA -0.151 4.190 4.340 0.002 0.000 0.211 395 L C 2.388 179.238 176.870 -0.033 0.000 1.089 395 L CA 1.414 56.225 54.840 -0.048 0.000 0.757 395 L CB -0.931 41.057 42.059 -0.118 0.000 0.899 395 L HN 0.716 nan 8.230 nan 0.000 0.434 396 G N 0.071 108.859 108.800 -0.021 0.000 2.442 396 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 396 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 396 G C 1.760 176.720 174.900 0.100 0.000 1.141 396 G CA 1.035 46.086 45.100 -0.081 0.000 0.763 396 G HN 0.529 nan 8.290 nan 0.000 0.554 397 S N -0.142 115.734 115.700 0.292 0.000 2.515 397 S HA 0.062 4.533 4.470 0.002 0.000 0.231 397 S C 2.099 176.798 174.600 0.165 0.000 0.987 397 S CA 1.002 59.355 58.200 0.255 0.000 0.936 397 S CB 0.105 63.419 63.200 0.191 0.000 0.766 397 S HN 0.115 nan 8.310 nan 0.000 0.528 398 V N 1.998 121.983 119.914 0.118 0.000 2.300 398 V HA 0.034 4.155 4.120 0.002 0.000 0.241 398 V C 2.463 178.659 176.094 0.171 0.000 1.034 398 V CA 1.289 63.658 62.300 0.115 0.000 1.021 398 V CB -0.941 30.913 31.823 0.053 0.000 0.662 398 V HN 0.420 nan 8.190 nan 0.000 0.458 399 L N -0.234 121.045 121.223 0.094 0.000 2.197 399 L HA -0.207 4.134 4.340 0.002 0.000 0.215 399 L C 2.231 179.070 176.870 -0.052 0.000 1.095 399 L CA 1.682 56.537 54.840 0.025 0.000 0.764 399 L CB -0.474 41.521 42.059 -0.108 0.000 0.897 399 L HN 0.247 nan 8.230 nan 0.000 0.436 400 R N -0.674 119.854 120.500 0.047 0.000 2.552 400 R HA 0.075 4.416 4.340 0.002 0.000 0.314 400 R C -0.007 176.403 176.300 0.183 0.000 1.041 400 R CA -0.263 55.874 56.100 0.062 0.000 1.076 400 R CB 0.102 30.415 30.300 0.022 0.000 1.290 400 R HN 0.100 nan 8.270 nan 0.000 0.563 401 D N 1.994 122.562 120.400 0.281 0.000 2.382 401 D HA 0.006 4.647 4.640 0.002 0.000 0.259 401 D C -1.389 175.073 176.300 0.270 0.000 1.224 401 D CA -1.722 52.445 54.000 0.277 0.000 0.894 401 D CB 1.462 42.448 40.800 0.309 0.000 1.127 401 D HN 0.044 nan 8.370 nan 0.000 0.487 402 P HA -0.117 nan 4.420 nan 0.000 0.225 402 P C 0.930 178.261 177.300 0.052 0.000 1.148 402 P CA 0.655 63.825 63.100 0.116 0.000 0.779 402 P CB 0.136 31.888 31.700 0.086 0.000 0.780 403 S N -2.793 112.935 115.700 0.046 0.000 2.575 403 S HA 0.150 4.621 4.470 0.002 0.000 0.215 403 S C 1.231 175.576 174.600 -0.425 0.000 0.966 403 S CA -0.191 57.923 58.200 -0.144 0.000 0.911 403 S CB -0.936 62.176 63.200 -0.146 0.000 0.780 403 S HN -0.014 nan 8.310 nan 0.000 0.514 404 F N 0.314 120.104 119.950 -0.267 0.000 2.712 404 F HA 0.520 5.048 4.527 0.002 0.000 0.297 404 F C -0.143 175.113 175.800 -0.907 0.000 1.114 404 F CA -0.715 56.920 58.000 -0.608 0.000 1.305 404 F CB 0.627 39.169 39.000 -0.764 0.000 1.086 404 F HN 0.098 nan 8.300 nan 0.000 0.599 405 F N -0.452 119.476 119.950 -0.037 0.000 2.557 405 F HA 0.237 4.765 4.527 0.002 0.000 0.316 405 F C 1.223 176.971 175.800 -0.088 0.000 1.141 405 F CA -0.894 56.986 58.000 -0.201 0.000 0.922 405 F CB 1.546 40.255 39.000 -0.485 0.000 1.194 405 F HN -0.222 nan 8.300 nan 0.000 0.443 406 S N 1.265 117.082 115.700 0.196 0.000 2.348 406 S HA -0.115 4.356 4.470 0.002 0.000 0.221 406 S C 0.462 175.186 174.600 0.207 0.000 1.033 406 S CA 0.952 59.254 58.200 0.169 0.000 1.010 406 S CB -0.186 63.098 63.200 0.140 0.000 0.891 406 S HN 0.633 nan 8.310 nan 0.000 0.442 407 N N 2.247 121.185 118.700 0.396 0.000 2.904 407 N HA 0.265 5.006 4.740 0.002 0.000 0.257 407 N C -2.416 173.287 175.510 0.321 0.000 1.363 407 N CA -1.276 51.956 53.050 0.303 0.000 0.856 407 N CB 1.766 40.379 38.487 0.211 0.000 1.166 407 N HN 0.323 nan 8.380 nan 0.000 0.499 408 P HA -0.100 nan 4.420 nan 0.000 0.221 408 P C 0.820 178.167 177.300 0.079 0.000 1.150 408 P CA 1.141 64.264 63.100 0.037 0.000 0.800 408 P CB 0.586 32.324 31.700 0.064 0.000 0.787 409 Q N -0.204 119.676 119.800 0.134 0.000 2.451 409 Q HA 0.061 4.402 4.340 0.002 0.000 0.206 409 Q C 0.104 176.302 176.000 0.331 0.000 0.947 409 Q CA 0.755 56.647 55.803 0.147 0.000 0.937 409 Q CB -0.193 28.617 28.738 0.119 0.000 1.025 409 Q HN 0.402 nan 8.270 nan 0.000 0.511 410 D N 0.075 120.689 120.400 0.357 0.000 2.181 410 D HA 0.164 4.805 4.640 0.002 0.000 0.248 410 D C -0.809 175.716 176.300 0.374 0.000 1.020 410 D CA -0.650 53.561 54.000 0.353 0.000 0.891 410 D CB 0.967 41.879 40.800 0.187 0.000 1.187 410 D HN -0.074 nan 8.370 nan 0.000 0.443 411 F N 2.654 122.562 119.950 -0.070 0.000 2.439 411 F HA 0.231 4.759 4.527 0.002 0.000 0.356 411 F C -0.153 175.425 175.800 -0.370 0.000 1.161 411 F CA -0.400 57.378 58.000 -0.370 0.000 1.151 411 F CB 0.018 38.508 39.000 -0.850 0.000 1.222 411 F HN 0.017 nan 8.300 nan 0.000 0.558 412 N N 8.086 126.394 118.700 -0.654 0.000 2.609 412 N HA 0.358 5.099 4.740 0.002 0.000 0.268 412 N C -2.425 172.695 175.510 -0.650 0.000 1.106 412 N CA -2.299 50.354 53.050 -0.662 0.000 0.823 412 N CB 1.807 39.914 38.487 -0.633 0.000 1.263 412 N HN 0.143 nan 8.380 nan 0.000 0.533 413 P HA -0.099 nan 4.420 nan 0.000 0.226 413 P C 0.904 178.081 177.300 -0.204 0.000 1.146 413 P CA 0.933 63.775 63.100 -0.429 0.000 0.773 413 P CB 0.418 31.777 31.700 -0.568 0.000 0.772 414 Q N -1.494 118.169 119.800 -0.229 0.000 2.364 414 Q HA -0.151 4.190 4.340 0.002 0.000 0.207 414 Q C 1.720 177.648 176.000 -0.120 0.000 0.970 414 Q CA 1.172 56.890 55.803 -0.142 0.000 0.888 414 Q CB -1.040 27.615 28.738 -0.139 0.000 0.951 414 Q HN 0.582 nan 8.270 nan 0.000 0.469 415 H N -1.240 117.778 119.070 -0.087 0.000 2.460 415 H HA -0.120 4.437 4.556 0.002 0.000 0.297 415 H C 0.383 175.482 175.328 -0.383 0.000 1.103 415 H CA 0.804 56.769 56.048 -0.138 0.000 1.292 415 H CB 0.030 29.734 29.762 -0.098 0.000 1.376 415 H HN 0.141 nan 8.280 nan 0.000 0.531 416 F N 0.038 119.987 119.950 -0.002 0.000 2.791 416 F HA 0.246 4.774 4.527 0.002 0.000 0.308 416 F C -0.621 175.015 175.800 -0.274 0.000 1.138 416 F CA -0.266 57.611 58.000 -0.205 0.000 1.294 416 F CB 0.869 39.757 39.000 -0.187 0.000 0.975 416 F HN -0.055 nan 8.300 nan 0.000 0.512 417 L N -0.014 121.172 121.223 -0.062 0.000 2.431 417 L HA 0.327 4.668 4.340 0.002 0.000 0.266 417 L C -0.033 176.800 176.870 -0.062 0.000 0.978 417 L CA -1.389 53.427 54.840 -0.041 0.000 0.822 417 L CB 1.518 43.597 42.059 0.032 0.000 1.310 417 L HN 0.019 nan 8.230 nan 0.000 0.409 418 N N 0.966 119.633 118.700 -0.055 0.000 2.273 418 N HA -0.068 4.673 4.740 0.002 0.000 0.227 418 N C 0.598 176.092 175.510 -0.026 0.000 1.292 418 N CA 0.122 53.145 53.050 -0.044 0.000 0.875 418 N CB 0.775 39.247 38.487 -0.026 0.000 1.105 418 N HN 0.555 nan 8.380 nan 0.000 0.434 419 E N 0.850 121.032 120.200 -0.030 0.000 2.114 419 E HA -0.240 4.111 4.350 0.002 0.000 0.199 419 E C 0.918 177.512 176.600 -0.010 0.000 1.008 419 E CA 1.447 57.835 56.400 -0.020 0.000 0.810 419 E CB 0.095 29.781 29.700 -0.023 0.000 0.739 419 E HN 0.434 nan 8.360 nan 0.000 0.456 420 K N -0.943 119.452 120.400 -0.008 0.000 2.504 420 K HA 0.029 4.350 4.320 0.002 0.000 0.195 420 K C 1.005 177.613 176.600 0.014 0.000 1.036 420 K CA 0.605 56.893 56.287 0.001 0.000 0.984 420 K CB 0.226 32.726 32.500 -0.001 0.000 0.788 420 K HN 0.321 nan 8.250 nan 0.000 0.488 421 G N 2.136 110.949 108.800 0.021 0.000 2.143 421 G HA2 -0.297 3.664 3.960 0.002 0.000 0.248 421 G HA3 -0.297 3.664 3.960 0.002 0.000 0.248 421 G C -0.220 174.722 174.900 0.070 0.000 0.991 421 G CA 0.255 45.385 45.100 0.050 0.000 0.689 421 G HN 0.408 nan 8.290 nan 0.000 0.522 422 Q N -1.036 118.795 119.800 0.051 0.000 2.212 422 Q HA 0.661 5.002 4.340 0.002 0.000 0.238 422 Q C 0.169 176.223 176.000 0.089 0.000 0.955 422 Q CA -1.019 54.828 55.803 0.074 0.000 0.906 422 Q CB 1.266 30.034 28.738 0.051 0.000 1.215 422 Q HN 0.334 nan 8.270 nan 0.000 0.478 423 F N 1.389 121.326 119.950 -0.021 0.000 2.529 423 F HA 0.123 4.651 4.527 0.002 0.000 0.365 423 F C -0.073 175.707 175.800 -0.032 0.000 1.102 423 F CA 0.381 58.353 58.000 -0.046 0.000 1.271 423 F CB 0.504 39.443 39.000 -0.102 0.000 1.120 423 F HN 0.285 nan 8.300 nan 0.000 0.579 424 K N 6.703 126.558 120.400 -0.908 0.000 2.463 424 K HA 0.303 4.624 4.320 0.002 0.000 0.255 424 K C -0.912 175.194 176.600 -0.823 0.000 0.942 424 K CA -0.785 55.129 56.287 -0.621 0.000 0.814 424 K CB 1.075 33.373 32.500 -0.337 0.000 1.122 424 K HN 0.650 nan 8.250 nan 0.000 0.425 425 K N 1.207 121.336 120.400 -0.451 0.000 2.258 425 K HA 0.132 4.453 4.320 0.002 0.000 0.264 425 K C -0.352 176.220 176.600 -0.046 0.000 1.007 425 K CA -0.100 56.103 56.287 -0.139 0.000 0.941 425 K CB 1.314 33.858 32.500 0.072 0.000 0.966 425 K HN 0.336 nan 8.250 nan 0.000 0.480 426 S N 0.733 116.518 115.700 0.141 0.000 2.532 426 S HA 0.134 4.605 4.470 0.002 0.000 0.299 426 S C -0.185 174.513 174.600 0.162 0.000 1.105 426 S CA -0.805 57.448 58.200 0.088 0.000 1.018 426 S CB 1.066 64.273 63.200 0.012 0.000 1.021 426 S HN 0.509 nan 8.310 nan 0.000 0.483 427 D N 3.156 123.571 120.400 0.024 0.000 2.310 427 D HA 0.046 4.687 4.640 0.002 0.000 0.212 427 D C 1.565 177.779 176.300 -0.143 0.000 0.965 427 D CA 0.843 54.836 54.000 -0.010 0.000 0.879 427 D CB 0.060 40.851 40.800 -0.015 0.000 0.921 427 D HN 0.562 nan 8.370 nan 0.000 0.510 428 A N -0.107 122.479 122.820 -0.390 0.000 2.251 428 A HA 0.044 4.365 4.320 0.002 0.000 0.209 428 A C 0.549 178.287 177.584 0.257 0.000 1.187 428 A CA -0.419 51.453 52.037 -0.276 0.000 0.823 428 A CB -0.536 18.045 19.000 -0.698 0.000 0.846 428 A HN 0.141 nan 8.150 nan 0.000 0.486 429 F N 1.593 121.704 119.950 0.268 0.000 2.462 429 F HA 0.407 4.936 4.527 0.002 0.000 0.354 429 F C 0.496 176.443 175.800 0.246 0.000 1.192 429 F CA -0.653 57.584 58.000 0.395 0.000 1.173 429 F CB 1.018 40.405 39.000 0.646 0.000 1.402 429 F HN 0.010 nan 8.300 nan 0.000 0.595 430 V N 5.104 124.870 119.914 -0.246 0.000 2.727 430 V HA 0.377 4.498 4.120 0.002 0.000 0.336 430 V C -2.174 173.715 176.094 -0.343 0.000 1.228 430 V CA -0.870 61.303 62.300 -0.212 0.000 1.270 430 V CB 0.071 31.855 31.823 -0.066 0.000 1.486 430 V HN 0.503 nan 8.190 nan 0.000 0.638 431 P HA 0.093 nan 4.420 nan 0.000 0.233 431 P C 0.788 177.728 177.300 -0.600 0.000 1.167 431 P CA 0.821 63.550 63.100 -0.619 0.000 0.770 431 P CB 0.047 31.263 31.700 -0.807 0.000 0.837 432 F N -0.610 119.202 119.950 -0.229 0.000 2.664 432 F HA 0.288 4.816 4.527 0.002 0.000 0.303 432 F C 1.384 177.121 175.800 -0.105 0.000 1.092 432 F CA 0.093 58.014 58.000 -0.132 0.000 1.305 432 F CB -0.296 38.656 39.000 -0.080 0.000 1.054 432 F HN -0.128 nan 8.300 nan 0.000 0.565 433 S N 0.290 115.987 115.700 -0.005 0.000 3.697 433 S HA -0.186 4.285 4.470 0.002 0.000 0.638 433 S C -0.445 174.175 174.600 0.033 0.000 2.176 433 S CA 0.456 58.649 58.200 -0.012 0.000 2.349 433 S CB -0.839 62.348 63.200 -0.022 0.000 0.329 433 S HN 0.442 nan 8.310 nan 0.000 1.794 434 I N -1.755 118.823 120.570 0.014 0.000 3.279 434 I HA 0.819 4.990 4.170 0.002 0.000 0.315 434 I C 0.612 176.740 176.117 0.018 0.000 1.225 434 I CA -0.312 61.004 61.300 0.027 0.000 0.947 434 I CB 1.338 39.347 38.000 0.016 0.000 1.293 434 I HN 1.973 nan 8.210 nan 0.000 0.468 435 G N 2.172 110.989 108.800 0.029 0.000 2.587 435 G HA2 -0.211 3.750 3.960 0.002 0.000 0.212 435 G HA3 -0.211 3.750 3.960 0.002 0.000 0.212 435 G C -0.077 174.851 174.900 0.047 0.000 1.327 435 G CA 0.284 45.403 45.100 0.032 0.000 0.898 435 G HN 0.908 nan 8.290 nan 0.000 0.551 436 K N -0.068 120.362 120.400 0.050 0.000 2.228 436 K HA 0.148 4.469 4.320 0.002 0.000 0.202 436 K C 1.970 178.607 176.600 0.062 0.000 1.051 436 K CA 1.122 57.441 56.287 0.055 0.000 0.960 436 K CB 0.008 32.539 32.500 0.052 0.000 0.743 436 K HN 0.277 nan 8.250 nan 0.000 0.458 437 R N 1.583 122.117 120.500 0.055 0.000 2.696 437 R HA 0.125 4.466 4.340 0.002 0.000 0.355 437 R C -0.492 175.836 176.300 0.046 0.000 1.138 437 R CA -0.303 55.831 56.100 0.057 0.000 1.059 437 R CB -0.542 29.775 30.300 0.028 0.000 1.380 437 R HN 0.287 nan 8.270 nan 0.000 0.578 438 N N 0.152 118.888 118.700 0.061 0.000 2.297 438 N HA -0.109 4.632 4.740 0.002 0.000 0.232 438 N C 0.117 175.665 175.510 0.064 0.000 1.311 438 N CA -0.224 52.861 53.050 0.058 0.000 0.897 438 N CB 0.518 39.047 38.487 0.069 0.000 1.137 438 N HN 0.007 nan 8.380 nan 0.000 0.449 439 C N 2.836 122.169 119.300 0.055 0.000 2.648 439 C HA 0.157 4.618 4.460 0.002 0.000 0.406 439 C C 1.450 176.450 174.990 0.016 0.000 1.406 439 C CA -0.769 58.249 59.018 0.001 0.000 1.610 439 C CB -2.450 25.386 27.740 0.160 0.000 2.451 439 C HN 0.662 nan 8.230 nan 0.000 0.608 440 F N 3.566 123.523 119.950 0.011 0.000 2.773 440 F HA 0.354 4.882 4.527 0.002 0.000 0.304 440 F C 1.405 177.197 175.800 -0.014 0.000 1.129 440 F CA -0.147 57.849 58.000 -0.006 0.000 1.378 440 F CB -0.748 38.256 39.000 0.007 0.000 1.095 440 F HN 0.522 nan 8.300 nan 0.000 0.565 441 G N 0.267 108.988 108.800 -0.132 0.000 3.042 441 G HA2 -0.056 3.905 3.960 0.002 0.000 0.212 441 G HA3 -0.056 3.905 3.960 0.002 0.000 0.212 441 G C 1.343 176.204 174.900 -0.064 0.000 1.166 441 G CA 0.332 45.399 45.100 -0.054 0.000 0.767 441 G HN 0.507 nan 8.290 nan 0.000 0.546 442 E N 0.680 120.761 120.200 -0.199 0.000 2.070 442 E HA -0.118 4.233 4.350 0.002 0.000 0.197 442 E C 2.523 178.877 176.600 -0.409 0.000 1.004 442 E CA 1.459 57.454 56.400 -0.675 0.000 0.805 442 E CB -0.505 28.670 29.700 -0.874 0.000 0.744 442 E HN 0.260 nan 8.360 nan 0.000 0.451 443 G N 1.330 110.010 108.800 -0.200 0.000 2.514 443 G HA2 -0.307 3.654 3.960 0.002 0.000 0.217 443 G HA3 -0.307 3.654 3.960 0.002 0.000 0.217 443 G C 1.505 176.325 174.900 -0.134 0.000 1.198 443 G CA 1.066 46.092 45.100 -0.123 0.000 0.780 443 G HN 0.336 nan 8.290 nan 0.000 0.565 444 L N 1.447 122.616 121.223 -0.089 0.000 2.017 444 L HA 0.130 4.471 4.340 0.002 0.000 0.208 444 L C 3.122 179.952 176.870 -0.067 0.000 1.073 444 L CA 2.221 57.011 54.840 -0.083 0.000 0.745 444 L CB -0.891 41.158 42.059 -0.018 0.000 0.894 444 L HN 0.271 nan 8.230 nan 0.000 0.432 445 A N -0.291 122.524 122.820 -0.009 0.000 1.865 445 A HA -0.257 4.064 4.320 0.002 0.000 0.217 445 A C 2.437 180.078 177.584 0.095 0.000 1.191 445 A CA 2.099 54.193 52.037 0.095 0.000 0.623 445 A CB -0.610 18.561 19.000 0.284 0.000 0.826 445 A HN 0.514 nan 8.150 nan 0.000 0.444 446 R N -1.457 119.070 120.500 0.045 0.000 2.092 446 R HA -0.042 4.299 4.340 0.002 0.000 0.231 446 R C 2.339 178.676 176.300 0.062 0.000 1.119 446 R CA 1.460 57.625 56.100 0.108 0.000 0.970 446 R CB -0.366 29.985 30.300 0.086 0.000 0.864 446 R HN 0.677 nan 8.270 nan 0.000 0.440 447 M N 0.913 120.369 119.600 -0.239 0.000 2.117 447 M HA -0.194 4.287 4.480 0.002 0.000 0.262 447 M C 1.555 177.691 176.300 -0.274 0.000 1.065 447 M CA 1.770 56.713 55.300 -0.596 0.000 1.114 447 M CB 0.076 32.171 32.600 -0.842 0.000 1.361 447 M HN 0.127 nan 8.290 nan 0.000 0.408 448 E N 0.224 120.299 120.200 -0.208 0.000 2.047 448 E HA -0.190 4.161 4.350 0.002 0.000 0.191 448 E C 2.035 178.543 176.600 -0.153 0.000 0.987 448 E CA 1.456 57.680 56.400 -0.294 0.000 0.799 448 E CB -0.208 29.458 29.700 -0.056 0.000 0.752 448 E HN 0.537 nan 8.360 nan 0.000 0.449 449 L N 0.208 121.469 121.223 0.063 0.000 1.989 449 L HA -0.198 4.143 4.340 0.002 0.000 0.211 449 L C 2.488 179.505 176.870 0.245 0.000 1.071 449 L CA 1.243 56.170 54.840 0.146 0.000 0.749 449 L CB -0.551 41.659 42.059 0.251 0.000 0.890 449 L HN 0.151 nan 8.230 nan 0.000 0.431 450 F N 0.876 120.928 119.950 0.170 0.000 2.043 450 F HA -0.284 4.244 4.527 0.002 0.000 0.297 450 F C 2.336 178.237 175.800 0.167 0.000 1.121 450 F CA 1.777 59.908 58.000 0.217 0.000 1.199 450 F CB -0.217 38.967 39.000 0.307 0.000 0.968 450 F HN -0.145 nan 8.300 nan 0.000 0.478 451 L N -0.950 120.299 121.223 0.043 0.000 2.046 451 L HA -0.241 4.100 4.340 0.002 0.000 0.208 451 L C 2.460 179.283 176.870 -0.078 0.000 1.077 451 L CA 1.164 55.931 54.840 -0.120 0.000 0.747 451 L CB -0.864 41.105 42.059 -0.149 0.000 0.896 451 L HN 0.140 nan 8.230 nan 0.000 0.432 452 F N -0.705 119.254 119.950 0.016 0.000 2.113 452 F HA -0.146 4.382 4.527 0.002 0.000 0.297 452 F C 2.317 178.164 175.800 0.078 0.000 1.103 452 F CA 1.024 59.032 58.000 0.014 0.000 1.248 452 F CB -1.108 37.858 39.000 -0.057 0.000 0.999 452 F HN -0.101 nan 8.300 nan 0.000 0.475 453 F N 0.520 120.601 119.950 0.218 0.000 2.102 453 F HA -0.266 4.262 4.527 0.002 0.000 0.298 453 F C 2.778 178.640 175.800 0.104 0.000 1.105 453 F CA 1.701 59.783 58.000 0.136 0.000 1.239 453 F CB -0.743 38.254 39.000 -0.005 0.000 0.991 453 F HN 0.040 nan 8.300 nan 0.000 0.474 454 T N -3.145 111.469 114.554 0.101 0.000 2.701 454 T HA -0.176 4.175 4.350 0.002 0.000 0.263 454 T C 1.789 176.539 174.700 0.084 0.000 1.040 454 T CA 1.835 63.915 62.100 -0.034 0.000 1.147 454 T CB -1.106 67.517 68.868 -0.408 0.000 0.865 454 T HN 0.139 nan 8.240 nan 0.000 0.426 455 T N 1.522 116.133 114.554 0.096 0.000 2.849 455 T HA -0.014 4.337 4.350 0.002 0.000 0.270 455 T C 2.019 176.853 174.700 0.224 0.000 1.066 455 T CA 1.110 63.296 62.100 0.142 0.000 1.130 455 T CB -0.480 68.478 68.868 0.150 0.000 0.864 455 T HN 0.273 nan 8.240 nan 0.000 0.481 456 V N 1.264 121.377 119.914 0.332 0.000 2.331 456 V HA -0.041 4.080 4.120 0.002 0.000 0.242 456 V C 2.471 178.858 176.094 0.489 0.000 1.034 456 V CA 1.020 63.588 62.300 0.448 0.000 1.027 456 V CB -0.393 31.719 31.823 0.481 0.000 0.667 456 V HN 0.389 nan 8.190 nan 0.000 0.457 457 M N -0.042 119.833 119.600 0.458 0.000 2.279 457 M HA -0.195 4.286 4.480 0.002 0.000 0.264 457 M C 2.113 178.638 176.300 0.376 0.000 1.062 457 M CA 1.486 57.041 55.300 0.425 0.000 1.099 457 M CB -1.373 31.395 32.600 0.281 0.000 1.394 457 M HN 0.492 nan 8.290 nan 0.000 0.426 458 Q N 0.684 120.626 119.800 0.237 0.000 2.050 458 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 458 Q C 1.658 177.677 176.000 0.031 0.000 0.980 458 Q CA 1.395 57.277 55.803 0.132 0.000 0.840 458 Q CB 0.078 28.863 28.738 0.078 0.000 0.898 458 Q HN 0.534 nan 8.270 nan 0.000 0.424 459 N N -1.050 117.628 118.700 -0.036 0.000 2.376 459 N HA 0.020 4.761 4.740 0.002 0.000 0.177 459 N C -0.458 174.710 175.510 -0.570 0.000 1.024 459 N CA 0.640 53.471 53.050 -0.366 0.000 0.893 459 N CB 0.367 38.523 38.487 -0.551 0.000 0.980 459 N HN 0.054 nan 8.380 nan 0.000 0.439 460 F N 0.504 120.547 119.950 0.155 0.000 2.576 460 F HA 0.398 4.926 4.527 0.002 0.000 0.313 460 F C 0.405 176.344 175.800 0.232 0.000 1.078 460 F CA -1.240 56.866 58.000 0.176 0.000 0.921 460 F CB 1.504 40.661 39.000 0.262 0.000 1.232 460 F HN -0.228 nan 8.300 nan 0.000 0.459 461 R N 2.388 123.095 120.500 0.344 0.000 2.598 461 R HA 0.817 5.158 4.340 0.002 0.000 0.279 461 R C -1.690 174.725 176.300 0.191 0.000 0.984 461 R CA -0.742 55.547 56.100 0.314 0.000 0.999 461 R CB 1.170 31.578 30.300 0.180 0.000 1.114 461 R HN 0.713 nan 8.270 nan 0.000 0.493 462 L N 2.014 123.307 121.223 0.117 0.000 2.295 462 L HA 0.483 4.824 4.340 0.002 0.000 0.285 462 L C -0.022 176.796 176.870 -0.087 0.000 1.035 462 L CA -0.690 54.103 54.840 -0.077 0.000 0.806 462 L CB 1.262 43.275 42.059 -0.077 0.000 1.214 462 L HN 0.661 nan 8.230 nan 0.000 0.426 463 K N 2.591 122.893 120.400 -0.162 0.000 2.394 463 K HA 0.407 4.728 4.320 0.002 0.000 0.260 463 K C -0.075 176.443 176.600 -0.137 0.000 0.967 463 K CA -0.420 55.799 56.287 -0.113 0.000 0.855 463 K CB 1.410 33.864 32.500 -0.077 0.000 1.101 463 K HN 0.788 nan 8.250 nan 0.000 0.433 464 S N 1.736 117.370 115.700 -0.109 0.000 2.633 464 S HA 0.078 4.549 4.470 0.002 0.000 0.257 464 S C 0.860 175.422 174.600 -0.064 0.000 1.265 464 S CA -0.130 58.011 58.200 -0.098 0.000 0.980 464 S CB 1.160 64.294 63.200 -0.110 0.000 1.017 464 S HN 0.668 nan 8.310 nan 0.000 0.577 465 S N -1.288 114.386 115.700 -0.044 0.000 2.603 465 S HA 0.264 4.735 4.470 0.002 0.000 0.232 465 S C 0.106 174.690 174.600 -0.026 0.000 1.016 465 S CA -0.669 57.515 58.200 -0.027 0.000 0.976 465 S CB -0.300 62.895 63.200 -0.009 0.000 0.921 465 S HN 0.756 nan 8.310 nan 0.000 0.516 466 Q N 0.783 120.560 119.800 -0.038 0.000 2.495 466 Q HA 0.637 4.978 4.340 0.002 0.000 0.283 466 Q C -1.000 174.971 176.000 -0.049 0.000 1.097 466 Q CA -0.959 54.821 55.803 -0.038 0.000 0.836 466 Q CB 1.393 30.108 28.738 -0.039 0.000 1.426 466 Q HN 0.102 nan 8.270 nan 0.000 0.459 467 S N 1.597 117.271 115.700 -0.044 0.000 2.580 467 S HA 0.103 4.574 4.470 0.002 0.000 0.274 467 S C -1.833 172.728 174.600 -0.066 0.000 1.329 467 S CA -0.967 57.204 58.200 -0.048 0.000 1.036 467 S CB 0.541 63.720 63.200 -0.036 0.000 0.919 467 S HN 0.452 nan 8.310 nan 0.000 0.515 468 P HA -0.199 nan 4.420 nan 0.000 0.218 468 P C 1.133 178.367 177.300 -0.110 0.000 1.146 468 P CA 1.227 64.260 63.100 -0.111 0.000 0.813 468 P CB -0.001 31.635 31.700 -0.106 0.000 0.778 469 K N -1.112 119.244 120.400 -0.073 0.000 2.148 469 K HA -0.085 4.236 4.320 0.002 0.000 0.204 469 K C 1.082 177.652 176.600 -0.050 0.000 1.050 469 K CA 1.450 57.703 56.287 -0.057 0.000 0.942 469 K CB -0.562 31.917 32.500 -0.036 0.000 0.724 469 K HN 0.077 nan 8.250 nan 0.000 0.446 470 D N 0.967 121.337 120.400 -0.050 0.000 2.349 470 D HA 0.131 4.772 4.640 0.002 0.000 0.214 470 D C 0.370 176.641 176.300 -0.048 0.000 1.063 470 D CA 0.087 54.063 54.000 -0.040 0.000 0.847 470 D CB 0.236 41.018 40.800 -0.030 0.000 0.933 470 D HN 0.225 nan 8.370 nan 0.000 0.513 471 I N 2.079 122.605 120.570 -0.074 0.000 2.581 471 I HA -0.051 4.120 4.170 0.002 0.000 0.285 471 I C 0.533 176.609 176.117 -0.067 0.000 1.129 471 I CA 0.070 61.315 61.300 -0.091 0.000 1.397 471 I CB 0.305 38.219 38.000 -0.143 0.000 1.399 471 I HN -0.302 nan 8.210 nan 0.000 0.537 472 D N 6.747 127.121 120.400 -0.042 0.000 2.339 472 D HA 0.137 4.778 4.640 0.002 0.000 0.241 472 D C 0.543 176.849 176.300 0.010 0.000 1.183 472 D CA -0.106 53.889 54.000 -0.008 0.000 0.859 472 D CB 1.688 42.487 40.800 -0.001 0.000 1.067 472 D HN 0.236 nan 8.370 nan 0.000 0.484 473 V N 2.796 122.749 119.914 0.066 0.000 3.650 473 V HA -0.026 4.095 4.120 0.002 0.000 0.271 473 V C 1.073 177.359 176.094 0.320 0.000 1.281 473 V CA 0.370 62.775 62.300 0.176 0.000 1.120 473 V CB -0.259 31.642 31.823 0.130 0.000 0.856 473 V HN 0.644 nan 8.190 nan 0.000 0.443 474 S N 2.614 118.434 115.700 0.200 0.000 2.563 474 S HA 0.160 4.631 4.470 0.002 0.000 0.284 474 S C -2.232 172.428 174.600 0.100 0.000 1.331 474 S CA -0.783 57.514 58.200 0.161 0.000 1.047 474 S CB 0.439 63.692 63.200 0.089 0.000 0.859 474 S HN 0.291 nan 8.310 nan 0.000 0.514 475 P HA 0.147 nan 4.420 nan 0.000 0.271 475 P C 0.454 177.712 177.300 -0.070 0.000 1.216 475 P CA -0.510 62.584 63.100 -0.010 0.000 0.776 475 P CB 0.805 32.524 31.700 0.032 0.000 0.881 476 K N 1.861 122.166 120.400 -0.157 0.000 2.002 476 K HA -0.131 4.190 4.320 0.002 0.000 0.209 476 K C 0.170 176.565 176.600 -0.341 0.000 1.048 476 K CA 1.316 57.425 56.287 -0.295 0.000 0.930 476 K CB 0.031 32.291 32.500 -0.401 0.000 0.714 476 K HN 0.612 nan 8.250 nan 0.000 0.438 477 H N -1.137 117.907 119.070 -0.043 0.000 2.771 477 H HA 0.356 4.913 4.556 0.002 0.000 0.361 477 H C -1.391 173.900 175.328 -0.062 0.000 1.108 477 H CA -0.814 55.204 56.048 -0.051 0.000 1.201 477 H CB 2.032 31.757 29.762 -0.063 0.000 1.681 477 H HN -0.176 nan 8.280 nan 0.000 0.534 478 V N 2.157 122.114 119.914 0.072 0.000 2.525 478 V HA 0.689 4.810 4.120 0.002 0.000 0.299 478 V C 0.444 176.527 176.094 -0.017 0.000 1.034 478 V CA -0.082 62.216 62.300 -0.004 0.000 0.863 478 V CB 1.552 33.363 31.823 -0.019 0.000 0.999 478 V HN 1.023 nan 8.190 nan 0.000 0.423 479 G N 2.212 110.978 108.800 -0.058 0.000 3.535 479 G HA2 0.155 4.116 3.960 0.002 0.000 0.169 479 G HA3 0.155 4.116 3.960 0.002 0.000 0.169 479 G C 0.372 175.254 174.900 -0.030 0.000 1.241 479 G CA 0.237 45.316 45.100 -0.035 0.000 1.334 479 G HN 0.413 nan 8.290 nan 0.000 0.717 480 F N 2.544 122.403 119.950 -0.153 0.000 2.161 480 F HA 0.412 4.940 4.527 0.002 0.000 0.300 480 F C 1.151 176.837 175.800 -0.189 0.000 1.089 480 F CA 1.538 59.453 58.000 -0.141 0.000 1.282 480 F CB -0.133 38.817 39.000 -0.083 0.000 1.010 480 F HN 0.450 nan 8.300 nan 0.000 0.485 481 A N -0.884 121.695 122.820 -0.402 0.000 2.387 481 A HA 0.644 4.965 4.320 0.002 0.000 0.303 481 A C -0.566 176.862 177.584 -0.260 0.000 1.145 481 A CA -0.360 51.373 52.037 -0.507 0.000 0.801 481 A CB 0.704 19.131 19.000 -0.955 0.000 1.342 481 A HN 0.049 nan 8.150 nan 0.000 0.440 482 T N 2.114 116.574 114.554 -0.156 0.000 2.758 482 T HA 0.519 4.870 4.350 0.002 0.000 0.285 482 T C -0.361 174.364 174.700 0.041 0.000 0.981 482 T CA -0.016 62.062 62.100 -0.036 0.000 0.965 482 T CB 0.174 69.042 68.868 -0.000 0.000 0.927 482 T HN 0.375 nan 8.240 nan 0.000 0.448 483 I N 6.301 126.879 120.570 0.013 0.000 2.362 483 I HA 0.339 4.510 4.170 0.002 0.000 0.289 483 I C -2.249 173.770 176.117 -0.162 0.000 0.994 483 I CA -3.020 58.274 61.300 -0.009 0.000 1.158 483 I CB 1.580 39.613 38.000 0.055 0.000 1.315 483 I HN 0.288 nan 8.210 nan 0.000 0.451 484 P HA 0.207 nan 4.420 nan 0.000 0.275 484 P C -0.366 176.789 177.300 -0.241 0.000 1.228 484 P CA -0.488 62.266 63.100 -0.578 0.000 0.786 484 P CB 0.687 31.857 31.700 -0.885 0.000 0.927 485 R N 1.648 122.042 120.500 -0.176 0.000 2.697 485 R HA 0.041 4.382 4.340 0.002 0.000 0.265 485 R C 0.470 176.776 176.300 0.009 0.000 1.009 485 R CA 0.076 56.125 56.100 -0.084 0.000 1.099 485 R CB -0.463 29.806 30.300 -0.050 0.000 0.965 485 R HN 0.492 nan 8.270 nan 0.000 0.428 486 N N 1.750 120.431 118.700 -0.031 0.000 2.454 486 N HA 0.085 4.826 4.740 0.002 0.000 0.254 486 N C -0.842 174.696 175.510 0.048 0.000 1.228 486 N CA 0.440 53.456 53.050 -0.056 0.000 0.900 486 N CB 0.244 38.693 38.487 -0.063 0.000 1.089 486 N HN 0.462 nan 8.380 nan 0.000 0.449 487 Y N -2.899 117.378 120.300 -0.039 0.000 2.689 487 Y HA 0.681 5.232 4.550 0.002 0.000 0.333 487 Y C -0.899 174.987 175.900 -0.023 0.000 1.208 487 Y CA -1.358 56.721 58.100 -0.035 0.000 1.055 487 Y CB 0.540 38.973 38.460 -0.044 0.000 1.304 487 Y HN 0.504 nan 8.280 nan 0.000 0.455 488 T N 0.562 115.235 114.554 0.199 0.000 2.924 488 T HA 0.836 5.187 4.350 0.002 0.000 0.291 488 T C -0.595 174.208 174.700 0.173 0.000 1.045 488 T CA -0.694 61.467 62.100 0.101 0.000 1.015 488 T CB 1.963 70.853 68.868 0.037 0.000 1.103 488 T HN 1.264 nan 8.240 nan 0.000 0.496 489 M N -0.576 119.048 119.600 0.041 0.000 2.643 489 M HA 0.717 5.198 4.480 0.002 0.000 0.276 489 M C -1.711 174.448 176.300 -0.234 0.000 1.200 489 M CA -0.856 54.385 55.300 -0.099 0.000 0.863 489 M CB 2.060 34.579 32.600 -0.135 0.000 1.711 489 M HN 0.440 nan 8.290 nan 0.000 0.492 490 S N 1.021 116.539 115.700 -0.305 0.000 2.482 490 S HA 0.747 5.218 4.470 0.002 0.000 0.303 490 S C -1.413 172.926 174.600 -0.435 0.000 1.091 490 S CA -0.532 57.511 58.200 -0.261 0.000 1.057 490 S CB 0.817 63.946 63.200 -0.119 0.000 1.031 490 S HN 0.503 nan 8.310 nan 0.000 0.485 491 F N 2.769 122.565 119.950 -0.256 0.000 2.313 491 F HA 0.393 4.921 4.527 0.002 0.000 0.369 491 F C -0.066 175.701 175.800 -0.054 0.000 1.109 491 F CA -0.632 57.168 58.000 -0.333 0.000 1.132 491 F CB 0.291 38.729 39.000 -0.936 0.000 1.291 491 F HN 0.238 nan 8.300 nan 0.000 0.496 492 L N 5.774 127.144 121.223 0.245 0.000 2.257 492 L HA 0.408 4.749 4.340 0.002 0.000 0.290 492 L C -2.352 174.734 176.870 0.361 0.000 1.044 492 L CA -2.172 52.822 54.840 0.258 0.000 0.810 492 L CB 0.767 42.897 42.059 0.119 0.000 1.193 492 L HN 0.248 nan 8.230 nan 0.000 0.425 493 P HA 0.095 nan 4.420 nan 0.000 0.265 493 P C -0.602 176.699 177.300 0.001 0.000 1.193 493 P CA 0.072 63.211 63.100 0.065 0.000 0.765 493 P CB 0.555 32.267 31.700 0.021 0.000 0.823 494 R N 0.000 120.451 120.500 -0.082 0.000 2.786 494 R HA 0.000 4.341 4.340 0.002 0.000 0.208 494 R CA 0.000 56.049 56.100 -0.086 0.000 0.921 494 R CB 0.000 30.214 30.300 -0.144 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535