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 2pgg_1_A DATA FIRST_RESID 31 DATA SEQUENCE LLIPKVWVPP EDPLASPSRL AKFLRENGYK VLQPRSLPEN EEYETDQILP DATA SEQUENCE DLAWMRQIEG AVLKPTLSLP IGDQEYFPKY YPTHRPSKEK PNAYPPDIAL DATA SEQUENCE LKQMIYLFLQ VPEANEGLKD EVTLLTQNIR DKAYGSGTYM GQATRLVAMK DATA SEQUENCE EVATGRNPNK DPLKLGYTFE SIAQLLDITL PVGPPGEDDK PWVPLTRVPS DATA SEQUENCE RMLVLTGDVD GDFEVEDYLP KINLKSSSGL PYVGRTKGET IGEMIAISNQ DATA SEQUENCE FLRELSTLLK QGAGTKGSNK KKLLSMLSDY WYLSCGLLFP KAERYDKSTW DATA SEQUENCE LTKTRNIWSA PSPTHLMISM ITWPVMSNSP NNVLNIEGCP SLYKFNPFRG DATA SEQUENCE GLNRIVEWIL APEEPKALVY ADNIYIVHSN TWYSIDLEKG EANCTRQHMQ DATA SEQUENCE AAMYYILTRG WSDNGDPMFN QTWATFAMNI APALVVDSSC LIMNLQIKTY DATA SEQUENCE GQGSGNAATF INNHLLSTLV LDQWNLMRQP RPDSEEFKSI EDKLGINFKI DATA SEQUENCE ERSIDDIRGK LRQLVLLAQP GYLSGGVEPE QSSPTVELDL LGWSATYSKD DATA SEQUENCE LGIYVPVLDK ERLFCSAAYP KGXXXXXXXX XVGIEQAYKV VRYEALRLVG DATA SEQUENCE GWNYPLLNKA CKNNAGAARR HLEAKGFPLD EFLAEWSELS EFGEAFEGFN DATA SEQUENCE IKLTVTSESL AELNKPVPPK PPNVNRPVNT GGLKAVSNAL KTGRYRNEAG DATA SEQUENCE LSGLVLLATA RSRLQDAVKA KAEAEKLHKS KPDDPDADWF ERSETLSDLL DATA SEQUENCE EKADIASKVA HSALVETSDA LEAV 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 L HA 0.000 nan 4.340 nan 0.000 0.249 31 L C 0.000 176.877 176.870 0.012 0.000 1.165 31 L CA 0.000 54.849 54.840 0.015 0.000 0.813 31 L CB 0.000 42.071 42.059 0.020 0.000 0.961 32 L N 2.160 123.392 121.223 0.014 0.000 2.102 32 L HA 0.307 4.647 4.340 -0.000 0.000 0.202 32 L C 0.338 177.216 176.870 0.013 0.000 1.076 32 L CA 1.465 56.313 54.840 0.013 0.000 0.761 32 L CB 0.414 42.485 42.059 0.020 0.000 0.921 32 L HN 0.368 nan 8.230 nan 0.000 0.444 33 I N 1.413 121.993 120.570 0.016 0.000 2.359 33 I HA 0.364 4.534 4.170 -0.000 0.000 0.284 33 I C -2.154 173.976 176.117 0.020 0.000 1.018 33 I CA -2.353 58.957 61.300 0.016 0.000 1.173 33 I CB 0.262 38.273 38.000 0.017 0.000 1.326 33 I HN 0.046 nan 8.210 nan 0.000 0.462 34 P HA 0.112 nan 4.420 nan 0.000 0.268 34 P C -0.291 177.038 177.300 0.048 0.000 1.208 34 P CA -0.236 62.886 63.100 0.035 0.000 0.777 34 P CB 0.549 32.270 31.700 0.036 0.000 0.875 35 K N 0.778 121.213 120.400 0.059 0.000 2.126 35 K HA 0.381 4.701 4.320 -0.000 0.000 0.257 35 K C -0.477 176.182 176.600 0.098 0.000 1.007 35 K CA -0.980 55.346 56.287 0.064 0.000 0.928 35 K CB 0.298 32.830 32.500 0.055 0.000 1.013 35 K HN 0.028 nan 8.250 nan 0.000 0.473 36 V N 1.702 121.670 119.914 0.089 0.000 2.843 36 V HA -0.152 3.968 4.120 -0.000 0.000 0.305 36 V C -0.245 175.951 176.094 0.170 0.000 1.120 36 V CA 0.228 62.600 62.300 0.119 0.000 1.254 36 V CB -0.383 31.482 31.823 0.070 0.000 0.901 36 V HN 0.770 nan 8.190 nan 0.000 0.503 37 W N 5.314 126.607 121.300 -0.013 0.000 2.390 37 W HA 0.564 5.224 4.660 -0.000 0.000 0.312 37 W C -0.625 175.840 176.519 -0.089 0.000 1.123 37 W CA -0.765 56.547 57.345 -0.056 0.000 1.202 37 W CB 1.143 30.555 29.460 -0.081 0.000 1.251 37 W HN 0.342 nan 8.180 nan 0.000 0.511 38 V N 9.376 128.913 119.914 -0.628 0.000 2.333 38 V HA 0.261 4.381 4.120 -0.000 0.000 0.274 38 V C -1.825 173.469 176.094 -1.334 0.000 1.028 38 V CA -1.995 59.882 62.300 -0.704 0.000 0.851 38 V CB 0.926 32.527 31.823 -0.371 0.000 1.000 38 V HN 0.452 nan 8.190 nan 0.000 0.456 39 P HA 0.164 nan 4.420 nan 0.000 0.268 39 P C -2.323 174.566 177.300 -0.685 0.000 1.205 39 P CA -0.830 61.329 63.100 -1.568 0.000 0.771 39 P CB -0.019 31.083 31.700 -0.997 0.000 0.858 40 P HA 0.017 nan 4.420 nan 0.000 0.271 40 P C -0.234 177.020 177.300 -0.077 0.000 1.244 40 P CA -0.032 62.978 63.100 -0.150 0.000 0.793 40 P CB 0.653 32.352 31.700 -0.003 0.000 0.984 41 E N 0.042 120.211 120.200 -0.051 0.000 2.354 41 E HA 0.019 4.369 4.350 -0.000 0.000 0.269 41 E C -0.276 176.318 176.600 -0.010 0.000 1.036 41 E CA -0.426 55.955 56.400 -0.032 0.000 0.876 41 E CB 0.275 29.953 29.700 -0.036 0.000 1.009 41 E HN 0.275 nan 8.360 nan 0.000 0.416 42 D N 4.945 125.340 120.400 -0.009 0.000 2.352 42 D HA 0.095 4.735 4.640 -0.000 0.000 0.245 42 D C -1.829 174.447 176.300 -0.040 0.000 1.224 42 D CA -2.098 51.884 54.000 -0.030 0.000 0.879 42 D CB 1.254 42.036 40.800 -0.030 0.000 1.057 42 D HN 0.260 nan 8.370 nan 0.000 0.491 43 P HA -0.005 nan 4.420 nan 0.000 0.225 43 P C 0.649 177.892 177.300 -0.095 0.000 1.148 43 P CA 0.729 63.785 63.100 -0.073 0.000 0.779 43 P CB 0.295 31.944 31.700 -0.084 0.000 0.780 44 L N -1.654 119.500 121.223 -0.115 0.000 3.110 44 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 44 L C 1.062 177.825 176.870 -0.179 0.000 1.257 44 L CA -0.313 54.442 54.840 -0.142 0.000 1.038 44 L CB -0.006 41.936 42.059 -0.195 0.000 1.395 44 L HN -0.134 nan 8.230 nan 0.000 0.566 45 A N 0.438 123.188 122.820 -0.118 0.000 2.281 45 A HA 0.223 4.543 4.320 -0.000 0.000 0.231 45 A C 0.764 178.202 177.584 -0.244 0.000 1.317 45 A CA 0.411 52.347 52.037 -0.168 0.000 0.959 45 A CB -0.485 18.547 19.000 0.053 0.000 0.900 45 A HN 0.413 nan 8.150 nan 0.000 0.497 46 S N -2.938 112.616 115.700 -0.244 0.000 2.537 46 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 46 S C -2.640 171.881 174.600 -0.131 0.000 1.142 46 S CA -1.038 57.075 58.200 -0.145 0.000 0.870 46 S CB 1.704 64.858 63.200 -0.078 0.000 1.112 46 S HN -0.076 nan 8.310 nan 0.000 0.466 47 P HA -0.188 nan 4.420 nan 0.000 0.216 47 P C 1.810 179.088 177.300 -0.035 0.000 1.154 47 P CA 2.311 65.383 63.100 -0.046 0.000 0.865 47 P CB -0.103 31.603 31.700 0.010 0.000 0.789 48 S N -0.671 115.012 115.700 -0.028 0.000 2.368 48 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 48 S C 1.977 176.570 174.600 -0.011 0.000 1.030 48 S CA 0.918 59.108 58.200 -0.017 0.000 0.999 48 S CB -0.934 62.256 63.200 -0.017 0.000 0.844 48 S HN 0.078 nan 8.310 nan 0.000 0.459 49 R N 0.845 121.329 120.500 -0.026 0.000 2.062 49 R HA 0.181 4.521 4.340 -0.000 0.000 0.229 49 R C 2.483 178.792 176.300 0.014 0.000 1.128 49 R CA 0.983 57.075 56.100 -0.013 0.000 0.960 49 R CB -1.018 29.255 30.300 -0.046 0.000 0.855 49 R HN 0.402 nan 8.270 nan 0.000 0.432 50 L N 0.818 122.024 121.223 -0.027 0.000 2.012 50 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 50 L C 2.450 179.368 176.870 0.079 0.000 1.073 50 L CA 1.709 56.552 54.840 0.006 0.000 0.748 50 L CB -0.508 41.509 42.059 -0.071 0.000 0.891 50 L HN 0.192 nan 8.230 nan 0.000 0.431 51 A N -0.280 122.564 122.820 0.040 0.000 1.902 51 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 51 A C 2.345 179.966 177.584 0.063 0.000 1.181 51 A CA 2.027 54.093 52.037 0.050 0.000 0.623 51 A CB -0.510 18.504 19.000 0.023 0.000 0.818 51 A HN 0.455 nan 8.150 nan 0.000 0.443 52 K N -1.480 118.959 120.400 0.065 0.000 2.032 52 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 52 K C 1.834 178.488 176.600 0.090 0.000 1.048 52 K CA 1.800 58.125 56.287 0.064 0.000 0.927 52 K CB -0.376 32.160 32.500 0.060 0.000 0.712 52 K HN 0.380 nan 8.250 nan 0.000 0.441 53 F N 1.850 121.789 119.950 -0.018 0.000 2.069 53 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 53 F C 1.769 177.565 175.800 -0.007 0.000 1.113 53 F CA 1.510 59.498 58.000 -0.020 0.000 1.214 53 F CB -0.333 38.643 39.000 -0.040 0.000 0.978 53 F HN -0.012 nan 8.300 nan 0.000 0.474 54 L N -0.295 120.928 121.223 -0.001 0.000 1.989 54 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 54 L C 2.664 179.525 176.870 -0.015 0.000 1.071 54 L CA 1.754 56.565 54.840 -0.049 0.000 0.749 54 L CB -0.735 41.369 42.059 0.076 0.000 0.890 54 L HN 0.068 nan 8.230 nan 0.000 0.431 55 R N 0.655 121.163 120.500 0.014 0.000 2.091 55 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 55 R C 2.206 178.486 176.300 -0.033 0.000 1.136 55 R CA 1.751 57.859 56.100 0.014 0.000 0.959 55 R CB -0.226 30.085 30.300 0.019 0.000 0.856 55 R HN 0.584 nan 8.270 nan 0.000 0.437 56 E N -1.291 118.862 120.200 -0.078 0.000 2.418 56 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 56 E C 0.424 176.934 176.600 -0.150 0.000 1.026 56 E CA 1.089 57.432 56.400 -0.095 0.000 0.862 56 E CB -0.077 29.578 29.700 -0.076 0.000 0.799 56 E HN 0.404 nan 8.360 nan 0.000 0.518 57 N N 0.178 118.746 118.700 -0.221 0.000 2.235 57 N HA 0.151 4.891 4.740 -0.000 0.000 0.209 57 N C 0.372 175.827 175.510 -0.092 0.000 1.122 57 N CA 0.358 53.275 53.050 -0.223 0.000 0.845 57 N CB 1.222 39.455 38.487 -0.424 0.000 1.004 57 N HN 0.313 nan 8.380 nan 0.000 0.499 58 G N 0.781 109.555 108.800 -0.044 0.000 2.198 58 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 58 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 58 G C -0.427 174.496 174.900 0.039 0.000 1.025 58 G CA -0.025 45.071 45.100 -0.007 0.000 0.769 58 G HN 0.503 nan 8.290 nan 0.000 0.507 59 Y N 0.817 121.095 120.300 -0.036 0.000 2.383 59 Y HA 0.472 5.022 4.550 -0.000 0.000 0.344 59 Y C 0.932 176.905 175.900 0.121 0.000 0.986 59 Y CA -0.723 57.411 58.100 0.056 0.000 1.175 59 Y CB 0.654 39.124 38.460 0.017 0.000 1.152 59 Y HN 0.174 nan 8.280 nan 0.000 0.511 60 K N 4.960 125.400 120.400 0.067 0.000 2.447 60 K HA 0.229 4.549 4.320 -0.000 0.000 0.281 60 K C -1.371 175.323 176.600 0.155 0.000 1.031 60 K CA -0.052 56.276 56.287 0.069 0.000 1.019 60 K CB 0.257 32.731 32.500 -0.044 0.000 0.918 60 K HN 0.513 nan 8.250 nan 0.000 0.476 61 V N 6.738 126.727 119.914 0.125 0.000 2.417 61 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 61 V C 0.269 176.395 176.094 0.053 0.000 1.024 61 V CA -0.905 61.465 62.300 0.118 0.000 0.861 61 V CB 1.276 33.157 31.823 0.096 0.000 0.985 61 V HN 0.677 nan 8.190 nan 0.000 0.436 62 L N 3.313 124.562 121.223 0.043 0.000 2.456 62 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 62 L C 0.457 177.316 176.870 -0.017 0.000 1.162 62 L CA -0.673 54.169 54.840 0.003 0.000 0.808 62 L CB 0.517 42.573 42.059 -0.005 0.000 1.136 62 L HN 0.606 nan 8.230 nan 0.000 0.466 63 Q N 2.458 122.236 119.800 -0.037 0.000 2.297 63 Q HA 0.174 4.513 4.340 -0.000 0.000 0.267 63 Q C -2.119 173.842 176.000 -0.066 0.000 1.006 63 Q CA -1.730 54.045 55.803 -0.046 0.000 0.896 63 Q CB 0.437 29.149 28.738 -0.043 0.000 1.186 63 Q HN 0.304 nan 8.270 nan 0.000 0.392 64 P HA -0.001 nan 4.420 nan 0.000 0.266 64 P C -0.877 176.448 177.300 0.042 0.000 1.195 64 P CA 0.153 63.251 63.100 -0.003 0.000 0.768 64 P CB 0.812 32.481 31.700 -0.050 0.000 0.838 65 R N 1.166 121.504 120.500 -0.271 0.000 2.787 65 R HA 0.624 4.964 4.340 -0.000 0.000 0.271 65 R C 0.293 176.287 176.300 -0.509 0.000 0.993 65 R CA -0.584 55.139 56.100 -0.628 0.000 0.993 65 R CB 1.273 30.565 30.300 -1.680 0.000 1.155 65 R HN 0.537 nan 8.270 nan 0.000 0.486 66 S N 1.306 116.718 115.700 -0.480 0.000 2.648 66 S HA 0.845 5.315 4.470 -0.000 0.000 0.305 66 S C -0.907 173.695 174.600 0.003 0.000 1.094 66 S CA -0.890 57.020 58.200 -0.484 0.000 0.983 66 S CB 1.144 63.783 63.200 -0.936 0.000 1.101 66 S HN 0.341 nan 8.310 nan 0.000 0.514 67 L N -3.071 118.036 121.223 -0.195 0.000 2.376 67 L HA 0.820 5.160 4.340 -0.000 0.000 0.258 67 L C -3.345 173.391 176.870 -0.224 0.000 1.013 67 L CA -2.802 51.950 54.840 -0.146 0.000 0.822 67 L CB -0.575 41.294 42.059 -0.315 0.000 1.388 67 L HN 0.331 nan 8.230 nan 0.000 0.413 68 P HA 0.152 nan 4.420 nan 0.000 0.266 68 P C -0.557 176.823 177.300 0.133 0.000 1.195 68 P CA 0.052 63.156 63.100 0.008 0.000 0.768 68 P CB 0.414 32.104 31.700 -0.017 0.000 0.838 69 E N 1.660 121.979 120.200 0.197 0.000 2.408 69 E HA 0.076 4.426 4.350 -0.000 0.000 0.259 69 E C 0.047 176.688 176.600 0.068 0.000 1.110 69 E CA -0.234 56.255 56.400 0.149 0.000 0.929 69 E CB 0.238 29.950 29.700 0.020 0.000 0.971 69 E HN 0.413 nan 8.360 nan 0.000 0.438 70 N N 2.623 121.339 118.700 0.026 0.000 2.444 70 N HA 0.104 4.844 4.740 -0.000 0.000 0.271 70 N C -0.595 174.959 175.510 0.072 0.000 1.069 70 N CA 0.055 53.144 53.050 0.064 0.000 0.965 70 N CB 0.906 39.455 38.487 0.104 0.000 1.092 70 N HN 0.334 nan 8.380 nan 0.000 0.476 71 E N 0.808 121.079 120.200 0.119 0.000 2.227 71 E HA 0.202 4.552 4.350 -0.000 0.000 0.268 71 E C -0.409 176.277 176.600 0.143 0.000 0.907 71 E CA -0.734 55.729 56.400 0.105 0.000 0.786 71 E CB 1.935 31.706 29.700 0.118 0.000 1.191 71 E HN 0.411 nan 8.360 nan 0.000 0.411 72 E N 1.015 121.237 120.200 0.038 0.000 2.392 72 E HA 0.144 4.494 4.350 -0.000 0.000 0.264 72 E C -1.412 175.167 176.600 -0.035 0.000 1.024 72 E CA 0.439 56.853 56.400 0.023 0.000 0.903 72 E CB 0.342 30.021 29.700 -0.034 0.000 0.963 72 E HN 0.301 nan 8.360 nan 0.000 0.432 73 Y N 0.910 121.213 120.300 0.005 0.000 2.552 73 Y HA 0.162 4.712 4.550 -0.000 0.000 0.337 73 Y C -0.602 175.296 175.900 -0.004 0.000 1.094 73 Y CA -0.874 57.228 58.100 0.004 0.000 1.028 73 Y CB 1.748 40.214 38.460 0.011 0.000 1.321 73 Y HN 0.505 nan 8.280 nan 0.000 0.456 74 E N 1.318 121.629 120.200 0.185 0.000 2.265 74 E HA 0.076 4.426 4.350 -0.000 0.000 0.272 74 E C 0.277 176.936 176.600 0.099 0.000 1.067 74 E CA 0.326 56.788 56.400 0.102 0.000 0.900 74 E CB 0.922 30.667 29.700 0.074 0.000 1.017 74 E HN 0.825 nan 8.360 nan 0.000 0.431 75 T N 4.173 118.757 114.554 0.050 0.000 2.635 75 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 75 T C 0.826 175.525 174.700 -0.002 0.000 1.040 75 T CA 1.537 63.645 62.100 0.014 0.000 1.156 75 T CB -0.111 68.747 68.868 -0.016 0.000 0.863 75 T HN 0.549 nan 8.240 nan 0.000 0.430 76 D N 0.845 121.245 120.400 0.001 0.000 2.309 76 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 76 D C 2.281 178.587 176.300 0.010 0.000 0.968 76 D CA 0.696 54.693 54.000 -0.005 0.000 0.882 76 D CB -0.113 40.690 40.800 0.005 0.000 0.918 76 D HN 0.358 nan 8.370 nan 0.000 0.503 77 Q N -0.154 119.667 119.800 0.035 0.000 2.137 77 Q HA -0.004 4.336 4.340 -0.000 0.000 0.198 77 Q C 2.221 178.233 176.000 0.021 0.000 0.960 77 Q CA 0.471 56.303 55.803 0.049 0.000 0.847 77 Q CB 0.102 28.904 28.738 0.107 0.000 0.915 77 Q HN 0.323 nan 8.270 nan 0.000 0.448 78 I N -0.417 120.154 120.570 0.003 0.000 2.494 78 I HA -0.106 4.064 4.170 -0.000 0.000 0.250 78 I C 0.697 176.789 176.117 -0.042 0.000 1.112 78 I CA 0.695 61.970 61.300 -0.042 0.000 1.438 78 I CB 0.223 38.179 38.000 -0.073 0.000 1.111 78 I HN 0.015 nan 8.210 nan 0.000 0.431 79 L N 2.877 124.071 121.223 -0.047 0.000 2.825 79 L HA 0.301 4.641 4.340 -0.000 0.000 0.236 79 L C -1.470 175.353 176.870 -0.079 0.000 1.301 79 L CA -1.041 53.756 54.840 -0.072 0.000 0.977 79 L CB -0.251 41.748 42.059 -0.100 0.000 1.300 79 L HN 0.087 nan 8.230 nan 0.000 0.486 80 P HA -0.175 nan 4.420 nan 0.000 0.219 80 P C 0.697 177.982 177.300 -0.025 0.000 1.146 80 P CA 1.178 64.265 63.100 -0.022 0.000 0.808 80 P CB 0.272 31.975 31.700 0.005 0.000 0.779 81 D N -0.348 120.027 120.400 -0.042 0.000 2.363 81 D HA -0.054 4.586 4.640 -0.000 0.000 0.226 81 D C 1.296 177.427 176.300 -0.281 0.000 1.020 81 D CA 0.405 54.392 54.000 -0.021 0.000 0.892 81 D CB -0.440 40.368 40.800 0.015 0.000 0.900 81 D HN 0.298 nan 8.370 nan 0.000 0.531 82 L N -0.405 120.566 121.223 -0.420 0.000 3.298 82 L HA 0.354 4.694 4.340 -0.000 0.000 0.296 82 L C 2.015 178.525 176.870 -0.600 0.000 1.237 82 L CA -0.104 54.221 54.840 -0.857 0.000 1.038 82 L CB 0.556 42.268 42.059 -0.578 0.000 1.423 82 L HN -0.093 nan 8.230 nan 0.000 0.605 83 A N 0.968 123.632 122.820 -0.261 0.000 2.024 83 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 83 A C 1.871 179.448 177.584 -0.013 0.000 1.164 83 A CA 1.935 53.918 52.037 -0.090 0.000 0.643 83 A CB -0.664 18.343 19.000 0.012 0.000 0.806 83 A HN 0.771 nan 8.150 nan 0.000 0.451 84 W N -0.589 120.720 121.300 0.015 0.000 2.402 84 W HA -0.061 4.599 4.660 -0.000 0.000 0.286 84 W C 1.657 178.187 176.519 0.017 0.000 1.221 84 W CA 1.155 58.510 57.345 0.017 0.000 1.257 84 W CB -0.863 28.608 29.460 0.019 0.000 1.120 84 W HN 0.193 nan 8.180 nan 0.000 0.551 85 M N 0.931 120.361 119.600 -0.282 0.000 2.358 85 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 85 M C 2.057 178.351 176.300 -0.011 0.000 1.064 85 M CA 1.734 56.974 55.300 -0.100 0.000 1.093 85 M CB -0.544 31.864 32.600 -0.320 0.000 1.401 85 M HN 0.084 nan 8.290 nan 0.000 0.440 86 R N 0.050 120.531 120.500 -0.031 0.000 2.161 86 R HA 0.001 4.341 4.340 -0.000 0.000 0.213 86 R C 0.910 177.229 176.300 0.031 0.000 1.055 86 R CA 0.571 56.667 56.100 -0.007 0.000 0.996 86 R CB -0.136 30.149 30.300 -0.024 0.000 0.901 86 R HN 0.513 nan 8.270 nan 0.000 0.456 87 Q N 1.571 121.409 119.800 0.064 0.000 2.414 87 Q HA 0.225 4.565 4.340 -0.000 0.000 0.286 87 Q C -0.053 175.997 176.000 0.083 0.000 0.941 87 Q CA 0.099 55.945 55.803 0.072 0.000 0.951 87 Q CB -0.135 28.654 28.738 0.085 0.000 1.188 87 Q HN 0.395 nan 8.270 nan 0.000 0.418 88 I N -4.549 116.066 120.570 0.074 0.000 3.263 88 I HA 0.434 4.604 4.170 -0.000 0.000 0.314 88 I C -1.042 175.103 176.117 0.048 0.000 1.269 88 I CA -1.500 59.843 61.300 0.073 0.000 0.942 88 I CB 1.921 39.986 38.000 0.109 0.000 1.305 88 I HN -0.175 nan 8.210 nan 0.000 0.474 89 E N 1.311 121.534 120.200 0.038 0.000 2.316 89 E HA 0.455 4.805 4.350 -0.000 0.000 0.275 89 E C 0.339 176.951 176.600 0.019 0.000 1.029 89 E CA 0.429 56.842 56.400 0.021 0.000 0.871 89 E CB 0.974 30.680 29.700 0.010 0.000 1.022 89 E HN 1.065 nan 8.360 nan 0.000 0.418 90 G N 2.297 111.105 108.800 0.012 0.000 2.248 90 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.252 90 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.252 90 G C 0.017 174.925 174.900 0.012 0.000 1.085 90 G CA -0.123 44.981 45.100 0.008 0.000 0.845 90 G HN 0.640 nan 8.290 nan 0.000 0.494 91 A N 0.322 123.147 122.820 0.009 0.000 2.774 91 A HA 0.691 5.011 4.320 -0.000 0.000 0.326 91 A C 1.640 179.215 177.584 -0.016 0.000 1.478 91 A CA 0.376 52.413 52.037 0.000 0.000 1.099 91 A CB 0.264 19.267 19.000 0.004 0.000 1.148 91 A HN 1.689 nan 8.150 nan 0.000 0.519 92 V N 1.373 121.274 119.914 -0.022 0.000 2.867 92 V HA -0.025 4.095 4.120 -0.000 0.000 0.260 92 V C 0.816 176.883 176.094 -0.044 0.000 1.099 92 V CA 0.834 63.115 62.300 -0.031 0.000 1.122 92 V CB -1.313 30.490 31.823 -0.033 0.000 0.708 92 V HN 0.595 nan 8.190 nan 0.000 0.490 93 L N 2.429 123.621 121.223 -0.052 0.000 2.361 93 L HA 0.288 4.628 4.340 -0.000 0.000 0.278 93 L C 0.606 177.447 176.870 -0.047 0.000 1.113 93 L CA -0.162 54.641 54.840 -0.062 0.000 0.849 93 L CB 0.579 42.586 42.059 -0.086 0.000 1.155 93 L HN 0.235 nan 8.230 nan 0.000 0.452 94 K N 5.427 125.799 120.400 -0.047 0.000 2.138 94 K HA 0.199 4.519 4.320 -0.000 0.000 0.251 94 K C -1.614 174.970 176.600 -0.027 0.000 1.015 94 K CA -1.677 54.589 56.287 -0.034 0.000 0.917 94 K CB 0.332 32.809 32.500 -0.038 0.000 1.021 94 K HN 0.316 nan 8.250 nan 0.000 0.485 95 P HA -0.086 nan 4.420 nan 0.000 0.234 95 P C 0.070 177.370 177.300 -0.000 0.000 1.167 95 P CA 0.932 64.026 63.100 -0.009 0.000 0.763 95 P CB 0.199 31.897 31.700 -0.005 0.000 0.835 96 T N -2.847 111.706 114.554 -0.001 0.000 2.864 96 T HA 0.678 5.028 4.350 -0.000 0.000 0.299 96 T C -0.958 173.751 174.700 0.015 0.000 1.166 96 T CA -0.878 61.234 62.100 0.019 0.000 1.007 96 T CB 1.616 70.494 68.868 0.017 0.000 1.219 96 T HN -0.149 nan 8.240 nan 0.000 0.506 97 L N 0.776 122.031 121.223 0.052 0.000 2.388 97 L HA 0.677 5.017 4.340 -0.000 0.000 0.264 97 L C -0.269 176.654 176.870 0.089 0.000 0.998 97 L CA -1.118 53.742 54.840 0.035 0.000 0.817 97 L CB 2.632 44.707 42.059 0.027 0.000 1.338 97 L HN 0.700 nan 8.230 nan 0.000 0.414 98 S N 2.813 118.549 115.700 0.061 0.000 2.420 98 S HA 0.637 5.107 4.470 -0.000 0.000 0.313 98 S C -0.443 174.301 174.600 0.239 0.000 1.079 98 S CA -0.482 57.807 58.200 0.149 0.000 1.104 98 S CB 0.342 63.636 63.200 0.156 0.000 0.969 98 S HN 0.286 nan 8.310 nan 0.000 0.471 99 L N 5.253 126.605 121.223 0.215 0.000 2.334 99 L HA 0.488 4.828 4.340 -0.000 0.000 0.276 99 L C -1.980 174.952 176.870 0.103 0.000 1.014 99 L CA -2.449 52.490 54.840 0.165 0.000 0.815 99 L CB 1.819 43.913 42.059 0.057 0.000 1.268 99 L HN 0.353 nan 8.230 nan 0.000 0.428 100 P HA 0.067 nan 4.420 nan 0.000 0.225 100 P C -0.058 177.217 177.300 -0.041 0.000 1.768 100 P CA 0.090 63.134 63.100 -0.094 0.000 0.943 100 P CB -0.358 31.144 31.700 -0.329 0.000 1.936 101 I N -3.050 117.535 120.570 0.025 0.000 3.621 101 I HA 0.450 4.620 4.170 -0.000 0.000 0.325 101 I C 0.612 176.771 176.117 0.070 0.000 1.554 101 I CA -1.223 60.099 61.300 0.036 0.000 1.053 101 I CB 0.169 38.189 38.000 0.033 0.000 1.302 101 I HN -0.122 nan 8.210 nan 0.000 0.518 102 G N 0.237 109.076 108.800 0.065 0.000 2.599 102 G HA2 0.188 4.148 3.960 -0.000 0.000 0.264 102 G HA3 0.188 4.148 3.960 -0.000 0.000 0.264 102 G C 0.214 175.142 174.900 0.047 0.000 1.200 102 G CA -0.142 44.996 45.100 0.064 0.000 0.896 102 G HN 0.211 nan 8.290 nan 0.000 0.536 103 D N -0.853 119.571 120.400 0.041 0.000 2.149 103 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 103 D C 1.218 177.536 176.300 0.030 0.000 0.972 103 D CA 1.074 55.093 54.000 0.032 0.000 0.835 103 D CB 0.275 41.092 40.800 0.027 0.000 0.966 103 D HN 0.476 nan 8.370 nan 0.000 0.476 104 Q N 0.691 120.513 119.800 0.036 0.000 2.230 104 Q HA 0.178 4.518 4.340 -0.000 0.000 0.248 104 Q C -0.414 175.625 176.000 0.065 0.000 0.915 104 Q CA -0.437 55.391 55.803 0.041 0.000 0.900 104 Q CB 1.352 30.115 28.738 0.042 0.000 1.229 104 Q HN -0.016 nan 8.270 nan 0.000 0.439 105 E N 1.787 122.012 120.200 0.042 0.000 2.259 105 E HA 0.411 4.761 4.350 -0.000 0.000 0.257 105 E C -1.243 175.408 176.600 0.085 0.000 0.998 105 E CA -0.760 55.654 56.400 0.022 0.000 0.866 105 E CB 1.482 31.116 29.700 -0.110 0.000 1.220 105 E HN 0.601 nan 8.360 nan 0.000 0.415 106 Y N -2.238 117.957 120.300 -0.175 0.000 2.624 106 Y HA 0.534 5.084 4.550 -0.000 0.000 0.334 106 Y C -1.658 174.111 175.900 -0.218 0.000 1.155 106 Y CA -1.407 56.611 58.100 -0.137 0.000 1.046 106 Y CB 0.689 39.141 38.460 -0.014 0.000 1.316 106 Y HN 0.285 nan 8.280 nan 0.000 0.457 107 F N 4.153 124.166 119.950 0.105 0.000 2.410 107 F HA 0.543 5.070 4.527 -0.000 0.000 0.349 107 F C -1.984 173.908 175.800 0.154 0.000 1.117 107 F CA -1.981 56.041 58.000 0.038 0.000 1.104 107 F CB 1.164 40.201 39.000 0.063 0.000 1.122 107 F HN 0.287 nan 8.300 nan 0.000 0.483 108 P HA 0.226 nan 4.420 nan 0.000 0.274 108 P C -1.515 175.965 177.300 0.299 0.000 1.237 108 P CA -0.594 62.685 63.100 0.298 0.000 0.793 108 P CB 1.335 33.130 31.700 0.158 0.000 0.977 109 K N 0.676 121.256 120.400 0.300 0.000 2.498 109 K HA 0.542 4.862 4.320 -0.000 0.000 0.254 109 K C -1.820 174.951 176.600 0.286 0.000 0.933 109 K CA -0.999 55.447 56.287 0.265 0.000 0.806 109 K CB 1.802 34.527 32.500 0.374 0.000 1.301 109 K HN 0.340 nan 8.250 nan 0.000 0.432 110 Y N 2.231 122.516 120.300 -0.025 0.000 2.322 110 Y HA 0.383 4.933 4.550 -0.000 0.000 0.324 110 Y C -2.135 173.670 175.900 -0.157 0.000 1.027 110 Y CA -1.251 56.843 58.100 -0.010 0.000 1.179 110 Y CB 1.248 39.702 38.460 -0.010 0.000 1.136 110 Y HN 0.650 nan 8.280 nan 0.000 0.449 111 Y N 7.502 127.600 120.300 -0.336 0.000 2.712 111 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 111 Y C -2.168 173.442 175.900 -0.483 0.000 0.995 111 Y CA -2.477 55.446 58.100 -0.295 0.000 1.283 111 Y CB 0.862 39.287 38.460 -0.059 0.000 1.092 111 Y HN 0.543 nan 8.280 nan 0.000 0.519 112 P HA 0.120 nan 4.420 nan 0.000 0.271 112 P C -0.311 176.660 177.300 -0.548 0.000 1.216 112 P CA -0.210 62.468 63.100 -0.702 0.000 0.776 112 P CB 0.842 32.014 31.700 -0.880 0.000 0.881 113 T N 2.555 116.867 114.554 -0.404 0.000 2.743 113 T HA 0.226 4.575 4.350 -0.000 0.000 0.293 113 T C -0.275 174.193 174.700 -0.387 0.000 0.945 113 T CA -0.261 61.681 62.100 -0.264 0.000 1.030 113 T CB -0.282 68.527 68.868 -0.099 0.000 0.912 113 T HN 0.341 nan 8.240 nan 0.000 0.483 114 H N 2.695 121.665 119.070 -0.166 0.000 2.562 114 H HA 0.564 5.120 4.556 -0.000 0.000 0.314 114 H C 0.366 175.696 175.328 0.003 0.000 1.079 114 H CA -0.431 55.525 56.048 -0.152 0.000 1.349 114 H CB 0.758 30.376 29.762 -0.240 0.000 1.432 114 H HN 0.350 nan 8.280 nan 0.000 0.479 115 R N 4.003 124.616 120.500 0.188 0.000 2.686 115 R HA 0.327 4.667 4.340 -0.000 0.000 0.283 115 R C -2.767 173.810 176.300 0.463 0.000 0.978 115 R CA -2.012 54.243 56.100 0.260 0.000 0.897 115 R CB 2.202 32.617 30.300 0.192 0.000 1.192 115 R HN 0.468 nan 8.270 nan 0.000 0.457 116 P HA 0.179 nan 4.420 nan 0.000 0.289 116 P C -0.801 176.632 177.300 0.223 0.000 1.299 116 P CA -0.382 62.857 63.100 0.232 0.000 0.766 116 P CB 1.106 32.897 31.700 0.151 0.000 1.226 117 S N -2.657 113.083 115.700 0.067 0.000 2.638 117 S HA 0.303 4.773 4.470 -0.000 0.000 0.274 117 S C 0.938 175.484 174.600 -0.090 0.000 1.157 117 S CA -0.788 57.430 58.200 0.031 0.000 0.826 117 S CB 1.676 64.915 63.200 0.064 0.000 1.139 117 S HN 0.443 nan 8.310 nan 0.000 0.474 118 K N 0.308 120.639 120.400 -0.115 0.000 2.173 118 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 118 K C 1.283 177.820 176.600 -0.106 0.000 1.046 118 K CA 1.976 58.170 56.287 -0.154 0.000 0.929 118 K CB -0.111 32.316 32.500 -0.122 0.000 0.720 118 K HN 0.596 nan 8.250 nan 0.000 0.453 119 E N 0.398 120.560 120.200 -0.063 0.000 2.122 119 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 119 E C 0.142 176.716 176.600 -0.044 0.000 0.977 119 E CA 1.027 57.399 56.400 -0.046 0.000 0.820 119 E CB 0.329 30.014 29.700 -0.026 0.000 0.770 119 E HN 0.243 nan 8.360 nan 0.000 0.462 120 K N 1.391 121.769 120.400 -0.038 0.000 2.762 120 K HA 0.197 4.517 4.320 -0.000 0.000 0.180 120 K C -2.220 174.357 176.600 -0.037 0.000 1.067 120 K CA -1.083 55.183 56.287 -0.035 0.000 0.973 120 K CB 1.843 34.328 32.500 -0.025 0.000 1.290 120 K HN -0.096 nan 8.250 nan 0.000 0.604 121 P HA -0.012 nan 4.420 nan 0.000 0.253 121 P C -0.391 176.907 177.300 -0.005 0.000 1.260 121 P CA 0.352 63.416 63.100 -0.060 0.000 0.800 121 P CB 0.329 31.951 31.700 -0.130 0.000 1.162 122 N N 0.016 118.707 118.700 -0.015 0.000 2.251 122 N HA 0.136 4.876 4.740 -0.000 0.000 0.217 122 N C 1.465 176.949 175.510 -0.044 0.000 1.124 122 N CA 0.051 53.099 53.050 -0.003 0.000 0.843 122 N CB 0.145 38.624 38.487 -0.014 0.000 1.024 122 N HN 0.083 nan 8.380 nan 0.000 0.501 123 A N 0.464 123.229 122.820 -0.091 0.000 1.841 123 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 123 A C 0.208 177.508 177.584 -0.474 0.000 1.199 123 A CA 1.249 53.083 52.037 -0.339 0.000 0.621 123 A CB -0.446 18.321 19.000 -0.388 0.000 0.835 123 A HN 0.331 nan 8.150 nan 0.000 0.445 124 Y N 0.101 120.527 120.300 0.209 0.000 2.787 124 Y HA 0.393 4.943 4.550 -0.000 0.000 0.352 124 Y C -2.575 173.502 175.900 0.295 0.000 1.027 124 Y CA -2.556 55.703 58.100 0.265 0.000 1.219 124 Y CB 0.552 39.275 38.460 0.438 0.000 1.110 124 Y HN 0.179 nan 8.280 nan 0.000 0.614 125 P HA 0.119 nan 4.420 nan 0.000 0.269 125 P C -2.520 174.904 177.300 0.206 0.000 1.209 125 P CA -1.167 62.076 63.100 0.238 0.000 0.776 125 P CB 0.342 32.114 31.700 0.119 0.000 0.876 126 P HA 0.050 nan 4.420 nan 0.000 0.272 126 P C -0.309 176.883 177.300 -0.179 0.000 1.230 126 P CA 0.069 62.938 63.100 -0.385 0.000 0.788 126 P CB 0.279 31.722 31.700 -0.428 0.000 0.949 127 D N 2.430 122.708 120.400 -0.204 0.000 2.551 127 D HA 0.038 4.678 4.640 -0.000 0.000 0.223 127 D C 1.056 177.332 176.300 -0.040 0.000 1.144 127 D CA -0.035 53.929 54.000 -0.060 0.000 1.025 127 D CB -0.207 40.588 40.800 -0.009 0.000 1.085 127 D HN 0.062 nan 8.370 nan 0.000 0.506 128 I N 1.734 122.284 120.570 -0.032 0.000 2.394 128 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 128 I C 2.286 178.406 176.117 0.004 0.000 1.136 128 I CA 0.560 61.850 61.300 -0.017 0.000 1.425 128 I CB -1.176 36.819 38.000 -0.008 0.000 1.079 128 I HN 0.285 nan 8.210 nan 0.000 0.425 129 A N 0.807 123.638 122.820 0.019 0.000 1.902 129 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 129 A C 2.331 179.922 177.584 0.011 0.000 1.181 129 A CA 1.401 53.448 52.037 0.017 0.000 0.623 129 A CB -0.812 18.209 19.000 0.036 0.000 0.818 129 A HN 0.377 nan 8.150 nan 0.000 0.443 130 L N -0.757 120.491 121.223 0.042 0.000 2.017 130 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 130 L C 2.240 179.122 176.870 0.019 0.000 1.073 130 L CA 2.001 56.855 54.840 0.024 0.000 0.745 130 L CB -0.577 41.540 42.059 0.096 0.000 0.894 130 L HN 0.347 nan 8.230 nan 0.000 0.432 131 L N -0.166 121.070 121.223 0.020 0.000 2.012 131 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 131 L C 2.462 179.357 176.870 0.041 0.000 1.073 131 L CA 1.959 56.814 54.840 0.026 0.000 0.748 131 L CB -0.780 41.283 42.059 0.008 0.000 0.891 131 L HN 0.271 nan 8.230 nan 0.000 0.431 132 K N -0.953 119.467 120.400 0.034 0.000 2.057 132 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 132 K C 2.143 178.794 176.600 0.084 0.000 1.049 132 K CA 1.679 57.996 56.287 0.050 0.000 0.931 132 K CB -0.267 32.246 32.500 0.021 0.000 0.714 132 K HN 0.385 nan 8.250 nan 0.000 0.440 133 Q N 1.055 120.885 119.800 0.051 0.000 2.084 133 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 133 Q C 1.918 178.008 176.000 0.149 0.000 0.978 133 Q CA 1.750 57.597 55.803 0.073 0.000 0.844 133 Q CB -0.065 28.666 28.738 -0.012 0.000 0.898 133 Q HN 0.268 nan 8.270 nan 0.000 0.426 134 M N -0.725 118.940 119.600 0.108 0.000 2.132 134 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 134 M C 2.023 178.422 176.300 0.164 0.000 1.065 134 M CA 1.303 56.678 55.300 0.125 0.000 1.122 134 M CB -0.189 32.470 32.600 0.098 0.000 1.365 134 M HN 0.257 nan 8.290 nan 0.000 0.411 135 I N -1.059 119.601 120.570 0.149 0.000 2.286 135 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 135 I C 2.450 178.697 176.117 0.218 0.000 1.115 135 I CA 1.366 62.769 61.300 0.171 0.000 1.392 135 I CB -0.456 37.620 38.000 0.125 0.000 1.065 135 I HN 0.252 nan 8.210 nan 0.000 0.418 136 Y N 1.606 121.958 120.300 0.087 0.000 2.181 136 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 136 Y C 2.264 178.203 175.900 0.065 0.000 1.146 136 Y CA 1.607 59.745 58.100 0.063 0.000 1.164 136 Y CB -0.222 38.257 38.460 0.031 0.000 0.982 136 Y HN 0.006 nan 8.280 nan 0.000 0.515 137 L N -1.276 119.999 121.223 0.086 0.000 2.046 137 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 137 L C 2.344 179.202 176.870 -0.020 0.000 1.077 137 L CA 1.525 56.364 54.840 -0.001 0.000 0.747 137 L CB -0.817 41.309 42.059 0.112 0.000 0.896 137 L HN 0.292 nan 8.230 nan 0.000 0.432 138 F N 0.916 120.835 119.950 -0.052 0.000 2.102 138 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 138 F C 2.182 177.932 175.800 -0.083 0.000 1.105 138 F CA 1.496 59.470 58.000 -0.044 0.000 1.239 138 F CB -0.214 38.780 39.000 -0.010 0.000 0.991 138 F HN -0.130 nan 8.300 nan 0.000 0.474 139 L N -0.206 120.934 121.223 -0.138 0.000 2.191 139 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 139 L C 2.317 178.990 176.870 -0.328 0.000 1.103 139 L CA 1.001 55.696 54.840 -0.242 0.000 0.769 139 L CB -0.658 41.342 42.059 -0.097 0.000 0.908 139 L HN 0.208 nan 8.230 nan 0.000 0.438 140 Q N -0.096 119.478 119.800 -0.376 0.000 2.245 140 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 140 Q C 0.514 176.361 176.000 -0.256 0.000 0.955 140 Q CA 0.476 56.069 55.803 -0.351 0.000 0.870 140 Q CB 0.085 28.570 28.738 -0.420 0.000 0.945 140 Q HN 0.187 nan 8.270 nan 0.000 0.461 141 V N 4.636 124.381 119.914 -0.282 0.000 2.425 141 V HA 0.069 4.189 4.120 -0.000 0.000 0.276 141 V C -1.923 174.019 176.094 -0.252 0.000 1.017 141 V CA -0.975 61.180 62.300 -0.242 0.000 1.062 141 V CB -0.035 31.630 31.823 -0.262 0.000 0.997 141 V HN 0.305 nan 8.190 nan 0.000 0.476 142 P HA 0.103 nan 4.420 nan 0.000 0.267 142 P C 0.266 177.483 177.300 -0.139 0.000 1.200 142 P CA 0.350 63.366 63.100 -0.141 0.000 0.772 142 P CB 1.369 33.011 31.700 -0.096 0.000 0.855 143 E N 1.620 121.747 120.200 -0.123 0.000 2.857 143 E HA -0.129 4.221 4.350 -0.000 0.000 0.341 143 E C -1.131 175.389 176.600 -0.133 0.000 1.399 143 E CA 1.973 58.313 56.400 -0.099 0.000 1.280 143 E CB -1.819 27.838 29.700 -0.071 0.000 1.773 143 E HN 0.896 nan 8.360 nan 0.000 0.549 144 A N 0.222 122.974 122.820 -0.114 0.000 2.569 144 A HA 0.658 4.978 4.320 -0.000 0.000 0.292 144 A C -1.408 176.173 177.584 -0.005 0.000 1.032 144 A CA 0.290 52.263 52.037 -0.107 0.000 0.669 144 A CB 0.973 19.961 19.000 -0.019 0.000 1.290 144 A HN 0.704 nan 8.150 nan 0.000 0.422 145 N N 0.169 118.940 118.700 0.118 0.000 2.655 145 N HA 0.281 5.021 4.740 -0.000 0.000 0.277 145 N C -0.138 175.529 175.510 0.262 0.000 1.177 145 N CA -0.268 52.878 53.050 0.160 0.000 0.882 145 N CB 1.426 39.984 38.487 0.119 0.000 1.481 145 N HN 0.560 nan 8.380 nan 0.000 0.547 146 E N 2.109 122.398 120.200 0.149 0.000 2.265 146 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 146 E C 1.769 178.396 176.600 0.046 0.000 0.996 146 E CA 1.565 58.017 56.400 0.087 0.000 0.832 146 E CB -0.083 29.645 29.700 0.046 0.000 0.756 146 E HN 0.774 nan 8.360 nan 0.000 0.491 147 G N -0.397 108.442 108.800 0.065 0.000 2.448 147 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 147 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 147 G C 1.452 176.390 174.900 0.063 0.000 1.135 147 G CA 0.321 45.449 45.100 0.047 0.000 0.784 147 G HN 0.240 nan 8.290 nan 0.000 0.543 148 L N -0.157 121.140 121.223 0.124 0.000 2.162 148 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 148 L C 2.728 179.607 176.870 0.015 0.000 1.086 148 L CA 0.899 55.837 54.840 0.163 0.000 0.778 148 L CB -0.250 42.003 42.059 0.324 0.000 0.928 148 L HN 0.173 nan 8.230 nan 0.000 0.446 149 K N 0.326 120.627 120.400 -0.166 0.000 2.103 149 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 149 K C 1.516 177.929 176.600 -0.311 0.000 1.048 149 K CA 1.611 57.522 56.287 -0.628 0.000 0.930 149 K CB -0.017 32.089 32.500 -0.657 0.000 0.716 149 K HN 0.238 nan 8.250 nan 0.000 0.444 150 D N 1.056 121.355 120.400 -0.169 0.000 2.221 150 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 150 D C 1.605 177.790 176.300 -0.192 0.000 0.982 150 D CA 1.084 54.990 54.000 -0.156 0.000 0.857 150 D CB 0.072 40.803 40.800 -0.115 0.000 0.934 150 D HN 0.435 nan 8.370 nan 0.000 0.475 151 E N 0.109 120.238 120.200 -0.118 0.000 2.047 151 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 151 E C 2.305 178.918 176.600 0.022 0.000 0.987 151 E CA 0.822 57.197 56.400 -0.042 0.000 0.799 151 E CB 0.019 29.837 29.700 0.197 0.000 0.752 151 E HN 0.186 nan 8.360 nan 0.000 0.449 152 V N 0.466 120.357 119.914 -0.039 0.000 2.548 152 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 152 V C 1.986 178.039 176.094 -0.069 0.000 1.055 152 V CA 2.202 64.481 62.300 -0.036 0.000 1.065 152 V CB -0.478 31.285 31.823 -0.100 0.000 0.681 152 V HN 0.172 nan 8.190 nan 0.000 0.462 153 T N 1.215 115.691 114.554 -0.130 0.000 2.746 153 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 153 T C 1.781 176.418 174.700 -0.105 0.000 1.039 153 T CA 2.138 64.167 62.100 -0.118 0.000 1.142 153 T CB -0.381 68.404 68.868 -0.137 0.000 0.866 153 T HN 0.462 nan 8.240 nan 0.000 0.444 154 L N 0.909 122.032 121.223 -0.167 0.000 2.056 154 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 154 L C 2.137 178.987 176.870 -0.034 0.000 1.078 154 L CA 1.372 56.088 54.840 -0.207 0.000 0.749 154 L CB -0.833 40.891 42.059 -0.558 0.000 0.901 154 L HN 0.160 nan 8.230 nan 0.000 0.433 155 L N -1.018 120.266 121.223 0.101 0.000 2.046 155 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 155 L C 2.300 179.208 176.870 0.064 0.000 1.077 155 L CA 2.352 57.309 54.840 0.195 0.000 0.747 155 L CB -1.042 41.140 42.059 0.206 0.000 0.896 155 L HN 0.318 nan 8.230 nan 0.000 0.432 156 T N -0.919 113.647 114.554 0.021 0.000 2.674 156 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 156 T C 1.845 176.546 174.700 0.002 0.000 1.039 156 T CA 1.448 63.547 62.100 -0.001 0.000 1.150 156 T CB -0.220 68.637 68.868 -0.018 0.000 0.864 156 T HN 0.328 nan 8.240 nan 0.000 0.427 157 Q N 1.073 120.868 119.800 -0.007 0.000 2.152 157 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 157 Q C 2.332 178.347 176.000 0.024 0.000 0.985 157 Q CA 1.228 57.028 55.803 -0.005 0.000 0.863 157 Q CB -0.554 28.170 28.738 -0.025 0.000 0.904 157 Q HN 0.524 nan 8.270 nan 0.000 0.422 158 N N 0.100 118.830 118.700 0.051 0.000 2.142 158 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 158 N C 1.999 177.608 175.510 0.165 0.000 1.023 158 N CA 0.795 53.910 53.050 0.107 0.000 0.852 158 N CB -0.129 38.442 38.487 0.139 0.000 0.998 158 N HN 0.274 nan 8.380 nan 0.000 0.424 159 I N 1.633 122.251 120.570 0.080 0.000 2.335 159 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 159 I C 2.453 178.644 176.117 0.123 0.000 1.129 159 I CA 1.095 62.418 61.300 0.037 0.000 1.402 159 I CB -0.077 37.864 38.000 -0.098 0.000 1.069 159 I HN 0.230 nan 8.210 nan 0.000 0.424 160 R N -0.349 120.180 120.500 0.047 0.000 2.223 160 R HA 0.027 4.367 4.340 -0.000 0.000 0.198 160 R C 1.169 177.426 176.300 -0.072 0.000 0.984 160 R CA 0.637 56.731 56.100 -0.009 0.000 1.018 160 R CB -0.218 30.073 30.300 -0.014 0.000 0.945 160 R HN 0.176 nan 8.270 nan 0.000 0.479 161 D N 0.822 121.203 120.400 -0.031 0.000 2.213 161 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 161 D C 0.117 176.349 176.300 -0.114 0.000 0.961 161 D CA 1.002 54.962 54.000 -0.066 0.000 0.853 161 D CB 0.297 41.088 40.800 -0.015 0.000 0.967 161 D HN 0.122 nan 8.370 nan 0.000 0.496 162 K N 0.334 120.703 120.400 -0.051 0.000 2.210 162 K HA 0.785 5.105 4.320 -0.000 0.000 0.236 162 K C -0.452 175.865 176.600 -0.472 0.000 1.016 162 K CA -0.896 55.305 56.287 -0.142 0.000 0.913 162 K CB 2.224 34.725 32.500 0.002 0.000 1.141 162 K HN -0.112 nan 8.250 nan 0.000 0.462 163 A N 0.930 123.378 122.820 -0.620 0.000 2.513 163 A HA 0.355 4.675 4.320 -0.000 0.000 0.296 163 A C -2.040 175.343 177.584 -0.334 0.000 1.052 163 A CA -0.726 50.839 52.037 -0.786 0.000 0.714 163 A CB 0.783 19.349 19.000 -0.724 0.000 1.279 163 A HN 0.637 nan 8.150 nan 0.000 0.397 164 Y N 2.062 122.078 120.300 -0.474 0.000 2.313 164 Y HA 0.615 5.165 4.550 -0.000 0.000 0.332 164 Y C 0.606 176.633 175.900 0.212 0.000 1.071 164 Y CA 1.017 59.063 58.100 -0.090 0.000 1.169 164 Y CB 1.152 39.557 38.460 -0.091 0.000 1.192 164 Y HN 1.433 nan 8.280 nan 0.000 0.487 165 G N 1.557 110.118 108.800 -0.397 0.000 2.317 165 G HA2 0.196 4.156 3.960 -0.000 0.000 0.293 165 G HA3 0.196 4.156 3.960 -0.000 0.000 0.293 165 G C -0.864 173.988 174.900 -0.081 0.000 1.287 165 G CA -0.307 44.774 45.100 -0.032 0.000 0.850 165 G HN 0.827 nan 8.290 nan 0.000 0.515 166 S N -0.195 115.491 115.700 -0.023 0.000 2.622 166 S HA 0.496 4.966 4.470 -0.000 0.000 0.236 166 S C 1.617 176.023 174.600 -0.323 0.000 0.956 166 S CA 0.977 59.092 58.200 -0.141 0.000 0.971 166 S CB -0.104 62.985 63.200 -0.185 0.000 0.782 166 S HN 2.618 nan 8.310 nan 0.000 0.468 167 G N 1.809 110.106 108.800 -0.839 0.000 2.596 167 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.295 167 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.295 167 G C 0.056 174.327 174.900 -1.049 0.000 1.240 167 G CA 0.792 44.961 45.100 -1.550 0.000 0.985 167 G HN 1.616 nan 8.290 nan 0.000 0.555 168 T N -4.416 109.552 114.554 -0.977 0.000 2.787 168 T HA 0.627 4.977 4.350 -0.000 0.000 0.297 168 T C 0.591 174.776 174.700 -0.859 0.000 1.221 168 T CA 0.256 61.745 62.100 -1.019 0.000 1.006 168 T CB 1.314 69.826 68.868 -0.594 0.000 1.328 168 T HN 0.637 nan 8.240 nan 0.000 0.509 169 Y N 0.125 119.986 120.300 -0.732 0.000 2.200 169 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 169 Y C 2.843 178.538 175.900 -0.341 0.000 1.137 169 Y CA 1.740 59.612 58.100 -0.380 0.000 1.163 169 Y CB -0.267 38.040 38.460 -0.255 0.000 0.988 169 Y HN 0.649 nan 8.280 nan 0.000 0.518 170 M N 0.189 119.661 119.600 -0.213 0.000 2.149 170 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 170 M C 2.173 178.282 176.300 -0.318 0.000 1.064 170 M CA 2.155 57.262 55.300 -0.321 0.000 1.102 170 M CB -0.758 31.673 32.600 -0.282 0.000 1.369 170 M HN 0.186 nan 8.290 nan 0.000 0.408 171 G N -0.889 107.712 108.800 -0.330 0.000 2.402 171 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 171 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 171 G C 1.410 176.167 174.900 -0.239 0.000 1.162 171 G CA 0.648 45.553 45.100 -0.325 0.000 0.777 171 G HN 0.590 nan 8.290 nan 0.000 0.539 172 Q N 0.206 119.872 119.800 -0.222 0.000 2.084 172 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 172 Q C 3.010 178.978 176.000 -0.054 0.000 0.978 172 Q CA 1.301 57.040 55.803 -0.107 0.000 0.844 172 Q CB -0.257 28.446 28.738 -0.059 0.000 0.898 172 Q HN 0.472 nan 8.270 nan 0.000 0.426 173 A N 0.514 123.290 122.820 -0.074 0.000 1.898 173 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 173 A C 2.250 179.902 177.584 0.113 0.000 1.181 173 A CA 1.775 53.804 52.037 -0.013 0.000 0.620 173 A CB -0.816 18.152 19.000 -0.053 0.000 0.819 173 A HN 0.312 nan 8.150 nan 0.000 0.442 174 T N -0.524 114.041 114.554 0.018 0.000 2.788 174 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 174 T C 2.075 176.826 174.700 0.086 0.000 1.044 174 T CA 1.680 63.859 62.100 0.132 0.000 1.139 174 T CB -0.218 68.652 68.868 0.003 0.000 0.867 174 T HN 0.520 nan 8.240 nan 0.000 0.454 175 R N 1.256 121.769 120.500 0.023 0.000 2.073 175 R HA 0.047 4.387 4.340 -0.000 0.000 0.234 175 R C 2.235 178.575 176.300 0.067 0.000 1.134 175 R CA 1.382 57.503 56.100 0.035 0.000 0.952 175 R CB -1.002 29.308 30.300 0.016 0.000 0.850 175 R HN 0.378 nan 8.270 nan 0.000 0.433 176 L N 0.319 121.575 121.223 0.055 0.000 2.042 176 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 176 L C 2.385 179.343 176.870 0.147 0.000 1.076 176 L CA 1.645 56.533 54.840 0.081 0.000 0.749 176 L CB -0.775 41.202 42.059 -0.137 0.000 0.893 176 L HN 0.287 nan 8.230 nan 0.000 0.432 177 V N -2.231 117.728 119.914 0.075 0.000 2.970 177 V HA -0.058 4.062 4.120 -0.000 0.000 0.260 177 V C 2.347 178.464 176.094 0.038 0.000 1.100 177 V CA 1.406 63.763 62.300 0.096 0.000 1.122 177 V CB -0.453 31.375 31.823 0.009 0.000 0.721 177 V HN 0.299 nan 8.190 nan 0.000 0.483 178 A N 0.447 123.297 122.820 0.051 0.000 1.872 178 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 178 A C 2.254 179.848 177.584 0.017 0.000 1.187 178 A CA 1.939 53.993 52.037 0.029 0.000 0.614 178 A CB -0.493 18.532 19.000 0.041 0.000 0.826 178 A HN 0.465 nan 8.150 nan 0.000 0.442 179 M N 0.024 119.656 119.600 0.052 0.000 2.080 179 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 179 M C 2.124 178.410 176.300 -0.023 0.000 1.068 179 M CA 2.084 57.418 55.300 0.057 0.000 1.109 179 M CB -1.233 31.451 32.600 0.140 0.000 1.342 179 M HN 0.570 nan 8.290 nan 0.000 0.405 180 K N 0.278 120.591 120.400 -0.145 0.000 2.103 180 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 180 K C 1.886 178.311 176.600 -0.292 0.000 1.048 180 K CA 1.630 57.581 56.287 -0.559 0.000 0.930 180 K CB 0.037 31.963 32.500 -0.956 0.000 0.716 180 K HN 0.068 nan 8.250 nan 0.000 0.444 181 E N 0.298 120.405 120.200 -0.155 0.000 2.106 181 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 181 E C 1.799 178.357 176.600 -0.070 0.000 0.984 181 E CA 0.941 57.282 56.400 -0.098 0.000 0.806 181 E CB -0.048 29.616 29.700 -0.058 0.000 0.750 181 E HN 0.125 nan 8.360 nan 0.000 0.458 182 V N 0.287 120.170 119.914 -0.051 0.000 2.358 182 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 182 V C 2.181 178.255 176.094 -0.032 0.000 1.047 182 V CA 1.820 64.098 62.300 -0.037 0.000 1.035 182 V CB -0.649 31.163 31.823 -0.018 0.000 0.658 182 V HN 0.399 nan 8.190 nan 0.000 0.452 183 A N -1.619 121.189 122.820 -0.020 0.000 2.067 183 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 183 A C 1.296 178.886 177.584 0.010 0.000 1.156 183 A CA 1.330 53.378 52.037 0.018 0.000 0.683 183 A CB -0.112 18.946 19.000 0.097 0.000 0.808 183 A HN 0.511 nan 8.150 nan 0.000 0.455 184 T N -2.455 112.076 114.554 -0.038 0.000 2.896 184 T HA 0.588 4.938 4.350 -0.000 0.000 0.297 184 T C 0.654 175.322 174.700 -0.053 0.000 1.108 184 T CA 0.235 62.312 62.100 -0.039 0.000 1.004 184 T CB 1.688 70.519 68.868 -0.063 0.000 1.159 184 T HN 1.362 nan 8.240 nan 0.000 0.499 185 G N 2.208 110.984 108.800 -0.040 0.000 2.728 185 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.269 185 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.269 185 G C 1.059 175.935 174.900 -0.039 0.000 1.334 185 G CA 0.829 45.904 45.100 -0.041 0.000 0.974 185 G HN 0.816 nan 8.290 nan 0.000 0.550 186 R N 1.271 121.744 120.500 -0.044 0.000 2.136 186 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 186 R C 1.023 177.291 176.300 -0.052 0.000 1.131 186 R CA 2.409 58.480 56.100 -0.047 0.000 0.937 186 R CB -0.414 29.854 30.300 -0.053 0.000 0.863 186 R HN 0.583 nan 8.270 nan 0.000 0.435 187 N N 0.013 118.679 118.700 -0.058 0.000 2.750 187 N HA 0.303 5.043 4.740 -0.000 0.000 0.253 187 N C -2.810 172.673 175.510 -0.045 0.000 1.408 187 N CA -1.840 51.172 53.050 -0.062 0.000 0.780 187 N CB 1.530 39.958 38.487 -0.098 0.000 1.191 187 N HN -0.007 nan 8.380 nan 0.000 0.511 188 P HA -0.021 nan 4.420 nan 0.000 0.264 188 P C -0.412 176.888 177.300 -0.000 0.000 1.183 188 P CA 0.333 63.426 63.100 -0.011 0.000 0.763 188 P CB 0.386 32.083 31.700 -0.006 0.000 0.807 189 N N 2.398 121.107 118.700 0.015 0.000 2.374 189 N HA 0.039 4.779 4.740 -0.000 0.000 0.241 189 N C -0.027 175.509 175.510 0.044 0.000 1.262 189 N CA 0.262 53.334 53.050 0.037 0.000 0.880 189 N CB 0.369 38.888 38.487 0.054 0.000 1.105 189 N HN 0.341 nan 8.380 nan 0.000 0.438 190 K N 0.729 121.172 120.400 0.072 0.000 2.371 190 K HA 0.152 4.472 4.320 -0.000 0.000 0.251 190 K C -1.383 175.219 176.600 0.004 0.000 0.934 190 K CA -0.839 55.472 56.287 0.040 0.000 0.798 190 K CB 1.775 34.297 32.500 0.036 0.000 1.204 190 K HN 0.454 nan 8.250 nan 0.000 0.427 191 D N 4.060 124.428 120.400 -0.053 0.000 2.358 191 D HA 0.033 4.673 4.640 -0.000 0.000 0.258 191 D C -1.371 174.835 176.300 -0.157 0.000 1.223 191 D CA -1.964 51.948 54.000 -0.146 0.000 0.886 191 D CB 1.172 41.918 40.800 -0.089 0.000 1.120 191 D HN 0.200 nan 8.370 nan 0.000 0.482 192 P HA -0.142 nan 4.420 nan 0.000 0.218 192 P C 1.783 179.076 177.300 -0.012 0.000 1.149 192 P CA 0.759 63.753 63.100 -0.177 0.000 0.817 192 P CB 0.312 31.768 31.700 -0.406 0.000 0.785 193 L N -0.568 120.596 121.223 -0.099 0.000 2.265 193 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 193 L C 2.215 179.065 176.870 -0.034 0.000 1.117 193 L CA 1.414 56.203 54.840 -0.085 0.000 0.782 193 L CB -0.807 41.140 42.059 -0.188 0.000 0.914 193 L HN -0.010 nan 8.230 nan 0.000 0.441 194 K N -0.103 120.282 120.400 -0.025 0.000 2.374 194 K HA 0.171 4.491 4.320 -0.000 0.000 0.196 194 K C 1.405 178.015 176.600 0.016 0.000 1.023 194 K CA 0.121 56.403 56.287 -0.007 0.000 1.103 194 K CB 0.449 32.940 32.500 -0.015 0.000 0.848 194 K HN 0.315 nan 8.250 nan 0.000 0.528 195 L N -0.752 120.502 121.223 0.052 0.000 2.616 195 L HA 0.197 4.537 4.340 -0.000 0.000 0.229 195 L C 1.130 178.012 176.870 0.021 0.000 1.110 195 L CA 0.284 55.166 54.840 0.069 0.000 0.884 195 L CB 0.566 42.718 42.059 0.155 0.000 1.115 195 L HN 0.410 nan 8.230 nan 0.000 0.481 196 G N -1.511 107.296 108.800 0.011 0.000 2.296 196 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.188 196 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.188 196 G C -0.056 174.779 174.900 -0.110 0.000 1.000 196 G CA -0.656 44.398 45.100 -0.077 0.000 0.672 196 G HN 0.113 nan 8.290 nan 0.000 0.483 197 Y N 1.845 122.125 120.300 -0.034 0.000 2.300 197 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 197 Y C 1.222 177.081 175.900 -0.068 0.000 1.270 197 Y CA 0.744 58.811 58.100 -0.055 0.000 1.352 197 Y CB 1.365 39.777 38.460 -0.080 0.000 1.286 197 Y HN 0.291 nan 8.280 nan 0.000 0.536 198 T N -2.580 112.029 114.554 0.092 0.000 2.901 198 T HA 0.375 4.725 4.350 -0.000 0.000 0.293 198 T C 0.516 175.123 174.700 -0.155 0.000 1.084 198 T CA -0.777 61.303 62.100 -0.033 0.000 1.008 198 T CB 0.593 69.577 68.868 0.193 0.000 1.170 198 T HN 0.539 nan 8.240 nan 0.000 0.509 199 F N 0.424 120.198 119.950 -0.293 0.000 2.065 199 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 199 F C 2.722 178.096 175.800 -0.709 0.000 1.112 199 F CA 1.578 59.171 58.000 -0.679 0.000 1.212 199 F CB -0.087 38.136 39.000 -1.295 0.000 0.975 199 F HN 0.641 nan 8.300 nan 0.000 0.476 200 E N 0.318 120.068 120.200 -0.750 0.000 2.150 200 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 200 E C 2.166 178.553 176.600 -0.354 0.000 0.985 200 E CA 1.207 57.264 56.400 -0.572 0.000 0.814 200 E CB -0.326 28.562 29.700 -1.355 0.000 0.752 200 E HN 0.151 nan 8.360 nan 0.000 0.466 201 S N -0.482 114.973 115.700 -0.409 0.000 2.348 201 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 201 S C 1.966 176.472 174.600 -0.156 0.000 1.033 201 S CA 1.412 59.362 58.200 -0.418 0.000 1.010 201 S CB -0.359 62.693 63.200 -0.247 0.000 0.891 201 S HN 0.391 nan 8.310 nan 0.000 0.442 202 I N 1.550 122.098 120.570 -0.036 0.000 2.394 202 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 202 I C 2.733 178.834 176.117 -0.026 0.000 1.136 202 I CA 0.958 62.248 61.300 -0.017 0.000 1.425 202 I CB -0.458 37.523 38.000 -0.031 0.000 1.079 202 I HN 0.398 nan 8.210 nan 0.000 0.425 203 A N 0.095 122.959 122.820 0.074 0.000 1.969 203 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 203 A C 2.210 179.888 177.584 0.158 0.000 1.169 203 A CA 1.241 53.432 52.037 0.257 0.000 0.635 203 A CB -0.398 18.897 19.000 0.492 0.000 0.810 203 A HN 0.465 nan 8.150 nan 0.000 0.445 204 Q N -0.736 119.085 119.800 0.034 0.000 2.378 204 Q HA 0.124 4.464 4.340 -0.000 0.000 0.205 204 Q C 1.767 177.759 176.000 -0.014 0.000 0.954 204 Q CA 0.512 56.324 55.803 0.015 0.000 0.901 204 Q CB -0.092 28.614 28.738 -0.053 0.000 0.981 204 Q HN 0.664 nan 8.270 nan 0.000 0.483 205 L N -0.137 121.057 121.223 -0.049 0.000 2.095 205 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 205 L C 1.986 178.804 176.870 -0.087 0.000 1.080 205 L CA 0.757 55.565 54.840 -0.053 0.000 0.759 205 L CB -0.109 41.921 42.059 -0.048 0.000 0.914 205 L HN 0.220 nan 8.230 nan 0.000 0.439 206 L N -0.676 120.431 121.223 -0.193 0.000 2.291 206 L HA -0.144 4.196 4.340 -0.000 0.000 0.214 206 L C 1.936 178.700 176.870 -0.177 0.000 1.120 206 L CA 0.462 55.075 54.840 -0.379 0.000 0.799 206 L CB -0.483 40.930 42.059 -1.076 0.000 0.925 206 L HN 0.231 nan 8.230 nan 0.000 0.446 207 D N 0.332 120.757 120.400 0.041 0.000 2.221 207 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 207 D C 2.152 178.504 176.300 0.087 0.000 0.982 207 D CA 1.357 55.456 54.000 0.164 0.000 0.857 207 D CB 0.255 41.139 40.800 0.141 0.000 0.934 207 D HN 0.375 nan 8.370 nan 0.000 0.475 208 I N -0.405 120.191 120.570 0.044 0.000 2.685 208 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 208 I C 2.270 178.417 176.117 0.051 0.000 1.102 208 I CA 0.535 61.864 61.300 0.049 0.000 1.442 208 I CB -0.124 37.902 38.000 0.044 0.000 1.194 208 I HN -0.151 nan 8.210 nan 0.000 0.448 209 T N 1.128 115.698 114.554 0.026 0.000 2.833 209 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 209 T C 1.009 175.795 174.700 0.142 0.000 1.054 209 T CA 1.065 63.199 62.100 0.057 0.000 1.135 209 T CB 0.091 68.948 68.868 -0.018 0.000 0.869 209 T HN 0.038 nan 8.240 nan 0.000 0.466 210 L N 1.886 123.126 121.223 0.028 0.000 2.613 210 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 210 L C -2.666 174.216 176.870 0.021 0.000 1.453 210 L CA -1.467 53.348 54.840 -0.042 0.000 0.725 210 L CB 1.341 43.294 42.059 -0.176 0.000 1.013 210 L HN -0.016 nan 8.230 nan 0.000 0.520 211 P HA 0.009 nan 4.420 nan 0.000 0.262 211 P C -0.401 176.927 177.300 0.046 0.000 1.182 211 P CA 0.432 63.586 63.100 0.090 0.000 0.761 211 P CB 1.836 33.574 31.700 0.064 0.000 0.795 212 V N 3.152 123.089 119.914 0.039 0.000 2.864 212 V HA 0.762 4.882 4.120 -0.000 0.000 0.314 212 V C 0.656 176.671 176.094 -0.132 0.000 1.073 212 V CA -0.367 61.889 62.300 -0.073 0.000 0.956 212 V CB 2.395 34.155 31.823 -0.105 0.000 1.023 212 V HN 0.806 nan 8.190 nan 0.000 0.435 213 G N 2.793 111.486 108.800 -0.179 0.000 2.568 213 G HA2 0.755 4.715 3.960 -0.000 0.000 0.313 213 G HA3 0.755 4.715 3.960 -0.000 0.000 0.313 213 G C -2.982 171.745 174.900 -0.288 0.000 1.227 213 G CA -1.513 43.471 45.100 -0.193 0.000 0.979 213 G HN 0.530 nan 8.290 nan 0.000 0.486 214 P HA 0.294 nan 4.420 nan 0.000 0.274 214 P C -2.705 174.348 177.300 -0.411 0.000 1.237 214 P CA -1.186 61.703 63.100 -0.353 0.000 0.793 214 P CB 0.940 32.506 31.700 -0.223 0.000 0.977 215 P HA 0.149 nan 4.420 nan 0.000 0.272 215 P C 1.092 178.258 177.300 -0.223 0.000 1.240 215 P CA 0.740 63.476 63.100 -0.606 0.000 0.791 215 P CB -0.006 31.139 31.700 -0.925 0.000 0.978 216 G N 0.824 109.549 108.800 -0.124 0.000 5.229 216 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.250 216 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.250 216 G C 0.297 175.216 174.900 0.032 0.000 1.380 216 G CA 0.858 46.059 45.100 0.169 0.000 0.933 216 G HN 0.707 nan 8.290 nan 0.000 0.731 217 E N 1.370 121.564 120.200 -0.010 0.000 2.257 217 E HA -0.076 4.274 4.350 -0.000 0.000 0.217 217 E C -0.401 176.203 176.600 0.007 0.000 1.248 217 E CA 1.517 57.900 56.400 -0.028 0.000 0.691 217 E CB -1.566 28.093 29.700 -0.069 0.000 1.185 217 E HN 0.810 nan 8.360 nan 0.000 0.377 218 D N -0.827 119.592 120.400 0.032 0.000 2.692 218 D HA 0.125 4.765 4.640 -0.000 0.000 0.303 218 D C 0.113 176.436 176.300 0.039 0.000 1.278 218 D CA -0.384 53.638 54.000 0.036 0.000 0.852 218 D CB 0.180 41.013 40.800 0.054 0.000 1.375 218 D HN -0.030 nan 8.370 nan 0.000 0.453 219 D N -0.038 120.382 120.400 0.033 0.000 2.218 219 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 219 D C 0.038 176.363 176.300 0.041 0.000 0.976 219 D CA 1.299 55.317 54.000 0.030 0.000 0.853 219 D CB 0.269 41.083 40.800 0.023 0.000 0.939 219 D HN -0.033 nan 8.370 nan 0.000 0.481 220 K N 1.273 121.707 120.400 0.057 0.000 2.484 220 K HA 0.207 4.527 4.320 -0.000 0.000 0.226 220 K C -2.161 174.513 176.600 0.123 0.000 1.031 220 K CA -1.337 54.997 56.287 0.077 0.000 1.026 220 K CB 2.131 34.672 32.500 0.069 0.000 1.412 220 K HN 0.071 nan 8.250 nan 0.000 0.492 221 P HA -0.033 nan 4.420 nan 0.000 0.330 221 P C -0.186 177.327 177.300 0.355 0.000 1.377 221 P CA -0.180 63.041 63.100 0.202 0.000 0.793 221 P CB 0.640 32.426 31.700 0.142 0.000 1.813 222 W N -0.184 121.194 121.300 0.128 0.000 2.647 222 W HA 0.419 5.079 4.660 -0.000 0.000 0.353 222 W C -0.671 175.917 176.519 0.114 0.000 1.080 222 W CA -0.734 56.747 57.345 0.227 0.000 1.208 222 W CB 2.002 31.562 29.460 0.167 0.000 1.396 222 W HN 0.093 nan 8.180 nan 0.000 0.573 223 V N 1.738 121.558 119.914 -0.158 0.000 2.649 223 V HA 0.372 4.492 4.120 -0.000 0.000 0.292 223 V C -2.346 173.850 176.094 0.171 0.000 1.055 223 V CA -1.866 60.333 62.300 -0.167 0.000 1.023 223 V CB 0.388 31.888 31.823 -0.540 0.000 0.992 223 V HN 0.319 nan 8.190 nan 0.000 0.480 224 P HA 0.265 nan 4.420 nan 0.000 0.272 224 P C -0.249 176.972 177.300 -0.131 0.000 1.240 224 P CA -0.406 62.769 63.100 0.124 0.000 0.791 224 P CB 0.349 32.082 31.700 0.055 0.000 0.978 225 L N 2.111 123.097 121.223 -0.395 0.000 2.382 225 L HA 0.120 4.460 4.340 -0.000 0.000 0.259 225 L C 0.655 177.244 176.870 -0.468 0.000 1.291 225 L CA 0.522 54.831 54.840 -0.884 0.000 1.176 225 L CB -0.996 40.292 42.059 -1.285 0.000 1.373 225 L HN 0.587 nan 8.230 nan 0.000 0.426 226 T N -2.689 111.755 114.554 -0.183 0.000 3.186 226 T HA 0.248 4.598 4.350 -0.000 0.000 0.292 226 T C 0.562 175.369 174.700 0.179 0.000 0.915 226 T CA -0.534 61.629 62.100 0.104 0.000 0.902 226 T CB 0.364 69.254 68.868 0.038 0.000 1.192 226 T HN 0.302 nan 8.240 nan 0.000 0.563 227 R N 1.035 121.640 120.500 0.174 0.000 2.902 227 R HA 0.799 5.139 4.340 -0.000 0.000 0.258 227 R C -0.372 176.100 176.300 0.286 0.000 1.071 227 R CA -1.071 55.127 56.100 0.163 0.000 1.024 227 R CB 1.726 32.055 30.300 0.049 0.000 1.184 227 R HN 0.179 nan 8.270 nan 0.000 0.492 228 V N -0.812 119.198 119.914 0.159 0.000 2.785 228 V HA 0.241 4.361 4.120 -0.000 0.000 0.300 228 V C -1.641 174.533 176.094 0.134 0.000 1.062 228 V CA -1.667 60.711 62.300 0.131 0.000 1.029 228 V CB 1.004 32.847 31.823 0.033 0.000 1.024 228 V HN 0.683 nan 8.190 nan 0.000 0.477 229 P HA -0.246 nan 4.420 nan 0.000 0.218 229 P C 1.802 179.143 177.300 0.069 0.000 1.152 229 P CA 2.522 65.693 63.100 0.117 0.000 0.857 229 P CB -0.073 31.688 31.700 0.102 0.000 0.787 230 S N -0.840 114.881 115.700 0.035 0.000 2.442 230 S HA -0.095 4.375 4.470 -0.000 0.000 0.236 230 S C 1.868 176.484 174.600 0.025 0.000 1.007 230 S CA 0.590 58.791 58.200 0.002 0.000 0.965 230 S CB -0.791 62.391 63.200 -0.029 0.000 0.773 230 S HN 0.018 nan 8.310 nan 0.000 0.504 231 R N 0.406 120.933 120.500 0.045 0.000 2.323 231 R HA 0.288 4.628 4.340 -0.000 0.000 0.198 231 R C 1.109 177.433 176.300 0.040 0.000 0.988 231 R CA 0.241 56.370 56.100 0.049 0.000 1.041 231 R CB -0.513 29.807 30.300 0.033 0.000 0.926 231 R HN 0.484 nan 8.270 nan 0.000 0.476 232 M N 0.026 119.663 119.600 0.062 0.000 2.561 232 M HA 0.134 4.614 4.480 -0.000 0.000 0.238 232 M C 0.250 176.666 176.300 0.193 0.000 1.131 232 M CA 0.404 55.755 55.300 0.084 0.000 1.046 232 M CB -0.146 32.531 32.600 0.128 0.000 1.532 232 M HN -0.092 nan 8.290 nan 0.000 0.497 233 L N 0.818 122.150 121.223 0.181 0.000 2.295 233 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 233 L C -0.649 176.468 176.870 0.412 0.000 1.018 233 L CA -0.591 54.410 54.840 0.268 0.000 0.841 233 L CB 1.364 43.529 42.059 0.178 0.000 1.218 233 L HN -0.237 nan 8.230 nan 0.000 0.424 234 V N 3.779 123.900 119.914 0.345 0.000 2.667 234 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 234 V C -0.276 175.842 176.094 0.041 0.000 1.048 234 V CA -0.696 61.737 62.300 0.221 0.000 0.928 234 V CB 2.522 34.427 31.823 0.137 0.000 1.004 234 V HN 0.435 nan 8.190 nan 0.000 0.444 235 L N 2.857 123.901 121.223 -0.299 0.000 2.341 235 L HA 0.767 5.107 4.340 -0.000 0.000 0.267 235 L C 0.401 177.064 176.870 -0.344 0.000 1.009 235 L CA 0.614 55.122 54.840 -0.552 0.000 0.819 235 L CB 2.363 43.553 42.059 -1.448 0.000 1.323 235 L HN 0.735 nan 8.230 nan 0.000 0.425 236 T N 0.910 115.296 114.554 -0.280 0.000 3.449 236 T HA 0.258 4.608 4.350 -0.000 0.000 0.268 236 T C 0.382 174.967 174.700 -0.190 0.000 0.996 236 T CA 0.399 62.383 62.100 -0.194 0.000 1.125 236 T CB -0.074 68.712 68.868 -0.137 0.000 1.172 236 T HN 0.705 nan 8.240 nan 0.000 0.430 237 G N 2.831 111.521 108.800 -0.182 0.000 2.346 237 G HA2 0.205 4.165 3.960 -0.000 0.000 0.275 237 G HA3 0.205 4.165 3.960 -0.000 0.000 0.275 237 G C 0.015 174.826 174.900 -0.149 0.000 1.190 237 G CA -0.246 44.764 45.100 -0.149 0.000 1.015 237 G HN 0.297 nan 8.290 nan 0.000 0.441 238 D N 1.914 122.242 120.400 -0.121 0.000 2.387 238 D HA -0.047 4.593 4.640 -0.000 0.000 0.257 238 D C 1.888 178.154 176.300 -0.057 0.000 1.198 238 D CA 0.364 54.304 54.000 -0.101 0.000 0.945 238 D CB 0.204 40.962 40.800 -0.070 0.000 0.907 238 D HN 0.304 nan 8.370 nan 0.000 0.518 239 V N 0.090 119.977 119.914 -0.045 0.000 1.779 239 V HA -0.339 3.781 4.120 -0.000 0.000 0.068 239 V C 1.113 177.216 176.094 0.014 0.000 0.604 239 V CA 2.186 64.490 62.300 0.007 0.000 1.516 239 V CB -0.926 30.918 31.823 0.034 0.000 1.694 239 V HN 0.325 nan 8.190 nan 0.000 0.837 240 D N -0.801 119.597 120.400 -0.004 0.000 2.454 240 D HA 0.238 4.878 4.640 -0.000 0.000 0.214 240 D C 1.697 177.992 176.300 -0.008 0.000 1.088 240 D CA 1.073 55.073 54.000 -0.001 0.000 0.855 240 D CB 0.685 41.482 40.800 -0.005 0.000 1.025 240 D HN 0.564 nan 8.370 nan 0.000 0.502 241 G N 0.622 109.408 108.800 -0.024 0.000 2.648 241 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 241 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 241 G C 0.906 175.791 174.900 -0.024 0.000 1.386 241 G CA 0.775 45.852 45.100 -0.039 0.000 0.920 241 G HN 0.007 nan 8.290 nan 0.000 0.540 242 D N -1.985 118.393 120.400 -0.037 0.000 2.714 242 D HA 0.199 4.839 4.640 -0.000 0.000 0.136 242 D C -0.575 175.824 176.300 0.166 0.000 1.483 242 D CA 0.606 54.621 54.000 0.025 0.000 1.530 242 D CB 1.249 41.979 40.800 -0.117 0.000 1.795 242 D HN 0.359 nan 8.370 nan 0.000 0.226 243 F N 0.344 120.275 119.950 -0.033 0.000 2.721 243 F HA 0.607 5.134 4.527 -0.000 0.000 0.314 243 F C -2.049 173.725 175.800 -0.043 0.000 1.099 243 F CA -0.868 57.112 58.000 -0.034 0.000 1.002 243 F CB 1.277 40.267 39.000 -0.015 0.000 1.260 243 F HN -0.147 nan 8.300 nan 0.000 0.453 244 E N 2.830 123.089 120.200 0.098 0.000 2.749 244 E HA 0.506 4.856 4.350 -0.000 0.000 0.360 244 E C -2.390 174.209 176.600 -0.001 0.000 1.037 244 E CA -0.236 56.172 56.400 0.012 0.000 0.684 244 E CB 1.207 30.824 29.700 -0.138 0.000 1.422 244 E HN 0.771 nan 8.360 nan 0.000 0.407 245 V N 3.666 123.622 119.914 0.070 0.000 2.588 245 V HA 0.538 4.658 4.120 -0.000 0.000 0.304 245 V C -0.253 175.877 176.094 0.060 0.000 1.042 245 V CA -0.782 61.559 62.300 0.068 0.000 0.877 245 V CB 2.071 33.984 31.823 0.150 0.000 0.996 245 V HN 0.482 nan 8.190 nan 0.000 0.425 246 E N 2.906 123.145 120.200 0.065 0.000 2.092 246 E HA 0.289 4.639 4.350 -0.000 0.000 0.271 246 E C -1.177 175.411 176.600 -0.019 0.000 0.919 246 E CA -0.510 55.875 56.400 -0.024 0.000 0.760 246 E CB 1.907 31.646 29.700 0.067 0.000 1.106 246 E HN 0.581 nan 8.360 nan 0.000 0.408 247 D N 2.852 123.164 120.400 -0.146 0.000 2.359 247 D HA 0.081 4.721 4.640 -0.000 0.000 0.230 247 D C -0.568 175.591 176.300 -0.236 0.000 1.118 247 D CA -0.392 53.570 54.000 -0.063 0.000 0.844 247 D CB 0.528 41.328 40.800 0.000 0.000 1.059 247 D HN 0.482 nan 8.370 nan 0.000 0.493 248 Y N 2.586 122.812 120.300 -0.122 0.000 2.555 248 Y HA 0.273 4.823 4.550 -0.000 0.000 0.259 248 Y C 0.567 176.580 175.900 0.188 0.000 1.179 248 Y CA -0.315 57.600 58.100 -0.307 0.000 1.230 248 Y CB 0.426 38.491 38.460 -0.659 0.000 1.146 248 Y HN 0.211 nan 8.280 nan 0.000 0.526 249 L N 1.919 123.303 121.223 0.267 0.000 2.350 249 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 249 L C -1.958 174.976 176.870 0.107 0.000 1.099 249 L CA -2.027 52.941 54.840 0.215 0.000 0.808 249 L CB 0.692 42.807 42.059 0.094 0.000 1.149 249 L HN -0.058 nan 8.230 nan 0.000 0.442 250 P HA -0.021 nan 4.420 nan 0.000 0.271 250 P C -0.924 175.851 177.300 -0.876 0.000 1.238 250 P CA -0.380 62.367 63.100 -0.589 0.000 0.794 250 P CB 0.409 31.992 31.700 -0.194 0.000 0.959 251 K N 1.459 120.942 120.400 -1.529 0.000 2.350 251 K HA 0.351 4.671 4.320 -0.000 0.000 0.279 251 K C -0.651 175.721 176.600 -0.379 0.000 1.027 251 K CA -0.171 55.643 56.287 -0.790 0.000 0.969 251 K CB -0.017 32.098 32.500 -0.641 0.000 0.954 251 K HN 0.412 nan 8.250 nan 0.000 0.474 252 I N 3.601 124.052 120.570 -0.198 0.000 2.569 252 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 252 I C -1.196 174.885 176.117 -0.060 0.000 1.088 252 I CA -0.872 60.379 61.300 -0.081 0.000 1.047 252 I CB 1.780 39.748 38.000 -0.053 0.000 1.237 252 I HN 0.773 nan 8.210 nan 0.000 0.421 253 N N 6.148 124.823 118.700 -0.042 0.000 2.402 253 N HA 0.120 4.860 4.740 -0.000 0.000 0.252 253 N C 0.547 176.026 175.510 -0.053 0.000 1.118 253 N CA -0.574 52.449 53.050 -0.046 0.000 0.945 253 N CB 0.828 39.286 38.487 -0.049 0.000 1.147 253 N HN 0.585 nan 8.380 nan 0.000 0.495 254 L N 4.128 125.325 121.223 -0.043 0.000 2.275 254 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 254 L C 1.992 178.840 176.870 -0.036 0.000 1.119 254 L CA 1.501 56.318 54.840 -0.039 0.000 0.790 254 L CB -0.252 41.788 42.059 -0.031 0.000 0.919 254 L HN 0.598 nan 8.230 nan 0.000 0.443 255 K N -0.866 119.516 120.400 -0.032 0.000 2.365 255 K HA 0.081 4.401 4.320 -0.000 0.000 0.197 255 K C 0.999 177.573 176.600 -0.043 0.000 1.042 255 K CA 0.259 56.533 56.287 -0.021 0.000 0.987 255 K CB 0.070 32.568 32.500 -0.003 0.000 0.779 255 K HN 0.375 nan 8.250 nan 0.000 0.484 256 S N 0.487 116.140 115.700 -0.078 0.000 2.614 256 S HA 0.173 4.643 4.470 -0.000 0.000 0.265 256 S C 0.250 174.770 174.600 -0.132 0.000 1.303 256 S CA -0.940 57.178 58.200 -0.137 0.000 1.000 256 S CB 1.333 64.428 63.200 -0.176 0.000 0.935 256 S HN -0.032 nan 8.310 nan 0.000 0.551 257 S N 1.539 117.130 115.700 -0.181 0.000 2.560 257 S HA 0.079 4.549 4.470 -0.000 0.000 0.284 257 S C 1.363 175.888 174.600 -0.125 0.000 1.327 257 S CA -0.309 57.809 58.200 -0.137 0.000 1.055 257 S CB 1.023 64.113 63.200 -0.184 0.000 0.868 257 S HN 0.834 nan 8.310 nan 0.000 0.506 258 S N 2.312 117.975 115.700 -0.062 0.000 2.383 258 S HA 0.231 4.701 4.470 -0.000 0.000 0.227 258 S C 1.012 175.593 174.600 -0.031 0.000 1.026 258 S CA 1.182 59.371 58.200 -0.019 0.000 0.981 258 S CB -0.824 62.414 63.200 0.062 0.000 0.818 258 S HN 1.446 nan 8.310 nan 0.000 0.472 259 G N -0.108 108.642 108.800 -0.083 0.000 2.541 259 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.686 259 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.686 259 G C 0.010 174.829 174.900 -0.136 0.000 1.286 259 G CA -0.295 44.715 45.100 -0.150 0.000 0.894 259 G HN 0.547 nan 8.290 nan 0.000 0.575 260 L N 1.039 122.145 121.223 -0.195 0.000 2.119 260 L HA -0.115 4.225 4.340 -0.000 0.000 0.226 260 L C 0.624 177.323 176.870 -0.285 0.000 1.093 260 L CA 3.879 58.597 54.840 -0.203 0.000 0.806 260 L CB -1.359 40.580 42.059 -0.200 0.000 0.902 260 L HN 0.575 nan 8.230 nan 0.000 0.444 261 P HA -0.137 nan 4.420 nan 0.000 0.217 261 P C -0.319 176.421 177.300 -0.934 0.000 1.150 261 P CA 1.440 64.066 63.100 -0.789 0.000 0.832 261 P CB -0.051 31.161 31.700 -0.814 0.000 0.787 262 Y N -1.402 118.850 120.300 -0.080 0.000 2.658 262 Y HA 0.283 4.833 4.550 -0.000 0.000 0.362 262 Y C 0.124 176.009 175.900 -0.024 0.000 1.017 262 Y CA -1.114 56.962 58.100 -0.040 0.000 1.134 262 Y CB 0.164 38.602 38.460 -0.037 0.000 1.144 262 Y HN -0.370 nan 8.280 nan 0.000 0.655 263 V N 1.563 121.515 119.914 0.063 0.000 2.788 263 V HA 0.198 4.318 4.120 -0.000 0.000 0.307 263 V C 1.307 177.476 176.094 0.125 0.000 1.069 263 V CA 1.561 63.910 62.300 0.082 0.000 1.173 263 V CB 0.503 32.406 31.823 0.134 0.000 0.925 263 V HN 1.024 nan 8.190 nan 0.000 0.492 264 G N 4.080 112.959 108.800 0.133 0.000 2.176 264 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 264 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 264 G C 0.223 175.179 174.900 0.093 0.000 0.979 264 G CA 0.213 45.390 45.100 0.128 0.000 0.641 264 G HN 0.642 nan 8.290 nan 0.000 0.530 265 R N 0.228 120.778 120.500 0.083 0.000 2.832 265 R HA 0.667 5.007 4.340 -0.000 0.000 0.271 265 R C 0.336 176.649 176.300 0.021 0.000 0.996 265 R CA -0.044 56.086 56.100 0.050 0.000 0.977 265 R CB 1.381 31.711 30.300 0.050 0.000 1.168 265 R HN 0.339 nan 8.270 nan 0.000 0.482 266 T N -1.925 112.626 114.554 -0.004 0.000 2.934 266 T HA 0.248 4.598 4.350 -0.000 0.000 0.283 266 T C 0.980 175.653 174.700 -0.044 0.000 1.005 266 T CA -0.916 61.170 62.100 -0.023 0.000 1.041 266 T CB 1.588 70.446 68.868 -0.017 0.000 1.042 266 T HN 0.441 nan 8.240 nan 0.000 0.505 267 K N 1.101 121.469 120.400 -0.054 0.000 2.103 267 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 267 K C 2.432 178.997 176.600 -0.059 0.000 1.048 267 K CA 1.462 57.715 56.287 -0.057 0.000 0.930 267 K CB -0.767 31.698 32.500 -0.060 0.000 0.716 267 K HN 0.842 nan 8.250 nan 0.000 0.444 268 G N 1.476 110.246 108.800 -0.050 0.000 2.432 268 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 268 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 268 G C 1.043 175.909 174.900 -0.057 0.000 1.135 268 G CA 0.618 45.690 45.100 -0.047 0.000 0.767 268 G HN 0.387 nan 8.290 nan 0.000 0.550 269 E N -0.232 119.928 120.200 -0.065 0.000 2.442 269 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 269 E C 1.358 177.874 176.600 -0.141 0.000 1.030 269 E CA 0.964 57.315 56.400 -0.082 0.000 0.869 269 E CB 0.240 29.902 29.700 -0.064 0.000 0.857 269 E HN 0.493 nan 8.360 nan 0.000 0.505 270 T N -2.431 112.026 114.554 -0.162 0.000 3.415 270 T HA 0.339 4.689 4.350 -0.000 0.000 0.282 270 T C 1.163 175.764 174.700 -0.166 0.000 1.007 270 T CA -0.391 61.555 62.100 -0.257 0.000 0.958 270 T CB -0.357 68.273 68.868 -0.396 0.000 1.171 270 T HN -0.029 nan 8.240 nan 0.000 0.500 271 I N 1.126 121.629 120.570 -0.112 0.000 2.202 271 I HA 0.011 4.181 4.170 -0.000 0.000 0.242 271 I C 2.844 178.916 176.117 -0.074 0.000 1.091 271 I CA 1.588 62.843 61.300 -0.075 0.000 1.368 271 I CB -0.588 37.375 38.000 -0.062 0.000 1.058 271 I HN 0.537 nan 8.210 nan 0.000 0.410 272 G N 1.354 110.099 108.800 -0.091 0.000 2.433 272 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 272 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 272 G C 1.476 176.336 174.900 -0.068 0.000 1.186 272 G CA 0.814 45.866 45.100 -0.080 0.000 0.779 272 G HN 0.450 nan 8.290 nan 0.000 0.543 273 E N 0.616 120.754 120.200 -0.104 0.000 2.153 273 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 273 E C 2.355 178.972 176.600 0.028 0.000 0.988 273 E CA 1.090 57.458 56.400 -0.054 0.000 0.811 273 E CB -0.705 28.878 29.700 -0.195 0.000 0.746 273 E HN 0.590 nan 8.360 nan 0.000 0.466 274 M N 0.712 120.311 119.600 -0.003 0.000 2.117 274 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 274 M C 2.214 178.535 176.300 0.035 0.000 1.065 274 M CA 1.437 56.764 55.300 0.045 0.000 1.114 274 M CB -0.036 32.576 32.600 0.020 0.000 1.361 274 M HN 0.019 nan 8.290 nan 0.000 0.408 275 I N 0.370 120.945 120.570 0.008 0.000 2.233 275 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 275 I C 2.693 178.814 176.117 0.007 0.000 1.093 275 I CA 1.034 62.337 61.300 0.004 0.000 1.380 275 I CB -0.573 37.416 38.000 -0.019 0.000 1.067 275 I HN 0.397 nan 8.210 nan 0.000 0.413 276 A N 1.154 123.977 122.820 0.004 0.000 1.902 276 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 276 A C 2.263 179.873 177.584 0.043 0.000 1.181 276 A CA 1.552 53.593 52.037 0.007 0.000 0.623 276 A CB -0.831 18.166 19.000 -0.005 0.000 0.818 276 A HN 0.387 nan 8.150 nan 0.000 0.443 277 I N -0.347 120.275 120.570 0.086 0.000 2.252 277 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 277 I C 2.651 178.822 176.117 0.089 0.000 1.102 277 I CA 1.337 62.725 61.300 0.146 0.000 1.385 277 I CB -0.336 37.791 38.000 0.211 0.000 1.064 277 I HN 0.225 nan 8.210 nan 0.000 0.414 278 S N 0.914 116.630 115.700 0.027 0.000 2.356 278 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 278 S C 1.755 176.337 174.600 -0.031 0.000 1.032 278 S CA 1.414 59.593 58.200 -0.034 0.000 1.005 278 S CB -0.402 62.774 63.200 -0.039 0.000 0.867 278 S HN 0.416 nan 8.310 nan 0.000 0.449 279 N N 1.406 120.097 118.700 -0.015 0.000 2.018 279 N HA -0.155 4.585 4.740 -0.000 0.000 0.196 279 N C 1.866 177.349 175.510 -0.044 0.000 1.043 279 N CA 1.449 54.481 53.050 -0.030 0.000 0.856 279 N CB -0.781 37.696 38.487 -0.016 0.000 1.042 279 N HN 0.280 nan 8.380 nan 0.000 0.423 280 Q N 0.090 119.889 119.800 -0.002 0.000 2.077 280 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 280 Q C 1.952 177.924 176.000 -0.047 0.000 0.989 280 Q CA 1.447 57.258 55.803 0.013 0.000 0.853 280 Q CB -0.789 28.009 28.738 0.100 0.000 0.907 280 Q HN 0.451 nan 8.270 nan 0.000 0.418 281 F N -0.166 119.632 119.950 -0.253 0.000 2.095 281 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 281 F C 1.675 177.222 175.800 -0.422 0.000 1.104 281 F CA 1.507 59.182 58.000 -0.541 0.000 1.232 281 F CB -0.249 38.327 39.000 -0.707 0.000 0.987 281 F HN 0.133 nan 8.300 nan 0.000 0.475 282 L N -0.172 120.848 121.223 -0.338 0.000 2.141 282 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 282 L C 2.613 179.257 176.870 -0.377 0.000 1.094 282 L CA 1.252 55.814 54.840 -0.463 0.000 0.763 282 L CB -0.556 41.246 42.059 -0.429 0.000 0.908 282 L HN 0.066 nan 8.230 nan 0.000 0.437 283 R N -0.178 120.169 120.500 -0.254 0.000 2.092 283 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 283 R C 2.172 178.356 176.300 -0.195 0.000 1.119 283 R CA 1.186 57.179 56.100 -0.178 0.000 0.970 283 R CB -0.136 30.100 30.300 -0.107 0.000 0.864 283 R HN 0.447 nan 8.270 nan 0.000 0.440 284 E N 0.575 120.630 120.200 -0.242 0.000 2.072 284 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 284 E C 1.937 178.371 176.600 -0.277 0.000 0.985 284 E CA 0.799 57.071 56.400 -0.214 0.000 0.801 284 E CB -0.119 29.472 29.700 -0.183 0.000 0.750 284 E HN 0.095 nan 8.360 nan 0.000 0.452 285 L N 1.193 122.142 121.223 -0.456 0.000 2.012 285 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 285 L C 2.413 179.127 176.870 -0.259 0.000 1.073 285 L CA 1.918 56.500 54.840 -0.431 0.000 0.748 285 L CB -0.802 40.880 42.059 -0.629 0.000 0.891 285 L HN -0.015 nan 8.230 nan 0.000 0.431 286 S N -1.597 113.958 115.700 -0.242 0.000 2.353 286 S HA -0.223 4.247 4.470 -0.000 0.000 0.222 286 S C 1.944 176.479 174.600 -0.109 0.000 1.035 286 S CA 1.993 60.101 58.200 -0.153 0.000 1.025 286 S CB -0.557 62.562 63.200 -0.136 0.000 0.902 286 S HN 0.682 nan 8.310 nan 0.000 0.440 287 T N 2.976 117.464 114.554 -0.110 0.000 2.652 287 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 287 T C 1.674 176.333 174.700 -0.068 0.000 1.039 287 T CA 1.389 63.443 62.100 -0.076 0.000 1.153 287 T CB -0.423 68.403 68.868 -0.070 0.000 0.863 287 T HN 0.190 nan 8.240 nan 0.000 0.428 288 L N 0.622 121.793 121.223 -0.087 0.000 2.191 288 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 288 L C 2.203 179.039 176.870 -0.056 0.000 1.103 288 L CA 1.322 56.121 54.840 -0.069 0.000 0.769 288 L CB -1.226 40.782 42.059 -0.084 0.000 0.908 288 L HN 0.324 nan 8.230 nan 0.000 0.438 289 L N -1.214 119.969 121.223 -0.066 0.000 2.341 289 L HA -0.102 4.238 4.340 -0.000 0.000 0.214 289 L C 1.692 178.544 176.870 -0.029 0.000 1.115 289 L CA 0.610 55.424 54.840 -0.045 0.000 0.820 289 L CB -0.142 41.887 42.059 -0.049 0.000 0.944 289 L HN 0.184 nan 8.230 nan 0.000 0.452 290 K N -0.206 120.175 120.400 -0.033 0.000 2.410 290 K HA 0.117 4.437 4.320 -0.000 0.000 0.200 290 K C 0.151 176.740 176.600 -0.018 0.000 1.023 290 K CA -0.179 56.095 56.287 -0.022 0.000 1.149 290 K CB 0.330 32.816 32.500 -0.024 0.000 0.859 290 K HN 0.299 nan 8.250 nan 0.000 0.514 291 Q N 0.595 120.383 119.800 -0.019 0.000 2.386 291 Q HA 0.043 4.383 4.340 -0.000 0.000 0.282 291 Q C 0.527 176.522 176.000 -0.008 0.000 1.050 291 Q CA -0.094 55.701 55.803 -0.014 0.000 0.918 291 Q CB 0.737 29.467 28.738 -0.013 0.000 1.266 291 Q HN 0.279 nan 8.270 nan 0.000 0.423 292 G N 0.541 109.337 108.800 -0.006 0.000 2.476 292 G HA2 0.472 4.432 3.960 -0.000 0.000 0.269 292 G HA3 0.472 4.432 3.960 -0.000 0.000 0.269 292 G C -0.640 174.259 174.900 -0.002 0.000 1.195 292 G CA -0.243 44.855 45.100 -0.003 0.000 0.843 292 G HN 0.702 nan 8.290 nan 0.000 0.545 293 A N -0.178 122.642 122.820 -0.000 0.000 2.272 293 A HA 0.694 5.014 4.320 -0.000 0.000 0.275 293 A C 1.317 178.901 177.584 0.001 0.000 1.096 293 A CA 0.509 52.547 52.037 0.001 0.000 0.822 293 A CB -0.075 18.926 19.000 0.002 0.000 1.088 293 A HN 2.569 nan 8.150 nan 0.000 0.495 294 G N 0.327 109.128 108.800 0.002 0.000 2.351 294 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.297 294 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.297 294 G C 0.061 174.962 174.900 0.002 0.000 1.054 294 G CA 0.432 45.533 45.100 0.002 0.000 1.123 294 G HN 1.151 nan 8.290 nan 0.000 0.512 295 T N 1.002 115.558 114.554 0.002 0.000 2.907 295 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 295 T C 0.149 174.850 174.700 0.003 0.000 1.043 295 T CA -0.868 61.233 62.100 0.002 0.000 1.003 295 T CB 1.821 70.689 68.868 0.001 0.000 1.084 295 T HN 0.238 nan 8.240 nan 0.000 0.483 296 K N 1.960 122.361 120.400 0.003 0.000 2.436 296 K HA 0.424 4.744 4.320 -0.000 0.000 0.282 296 K C 0.760 177.362 176.600 0.005 0.000 1.044 296 K CA 0.860 57.149 56.287 0.004 0.000 1.028 296 K CB -0.199 32.303 32.500 0.004 0.000 0.919 296 K HN 1.047 nan 8.250 nan 0.000 0.474 297 G N 2.391 111.195 108.800 0.005 0.000 2.716 297 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 297 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 297 G C -0.455 174.450 174.900 0.007 0.000 1.337 297 G CA -0.204 44.900 45.100 0.007 0.000 0.829 297 G HN 0.789 nan 8.290 nan 0.000 0.599 298 S N 0.709 116.415 115.700 0.009 0.000 2.548 298 S HA 0.391 4.861 4.470 -0.000 0.000 0.277 298 S C 1.317 175.923 174.600 0.010 0.000 1.315 298 S CA 0.031 58.237 58.200 0.011 0.000 1.050 298 S CB 1.455 64.664 63.200 0.014 0.000 0.918 298 S HN 0.664 nan 8.310 nan 0.000 0.497 299 N N 2.656 121.361 118.700 0.008 0.000 2.331 299 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 299 N C 1.510 177.024 175.510 0.007 0.000 1.019 299 N CA 0.767 53.820 53.050 0.005 0.000 0.881 299 N CB -0.310 38.177 38.487 0.001 0.000 0.972 299 N HN 0.778 nan 8.380 nan 0.000 0.435 300 K N 1.865 122.274 120.400 0.014 0.000 2.009 300 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 300 K C 1.623 178.237 176.600 0.024 0.000 1.049 300 K CA 1.323 57.622 56.287 0.021 0.000 0.929 300 K CB 0.067 32.585 32.500 0.031 0.000 0.714 300 K HN 0.045 nan 8.250 nan 0.000 0.440 301 K N 0.559 120.974 120.400 0.025 0.000 2.097 301 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 301 K C 2.134 178.749 176.600 0.025 0.000 1.049 301 K CA 1.505 57.809 56.287 0.028 0.000 0.933 301 K CB -0.008 32.507 32.500 0.025 0.000 0.717 301 K HN 0.187 nan 8.250 nan 0.000 0.442 302 K N 0.646 121.057 120.400 0.018 0.000 2.057 302 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 302 K C 2.130 178.740 176.600 0.015 0.000 1.049 302 K CA 0.985 57.282 56.287 0.015 0.000 0.931 302 K CB -0.199 32.305 32.500 0.007 0.000 0.714 302 K HN 0.039 nan 8.250 nan 0.000 0.440 303 L N 1.521 122.749 121.223 0.008 0.000 2.027 303 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 303 L C 1.936 178.819 176.870 0.023 0.000 1.074 303 L CA 1.424 56.263 54.840 -0.001 0.000 0.745 303 L CB -0.362 41.690 42.059 -0.013 0.000 0.898 303 L HN 0.097 nan 8.230 nan 0.000 0.433 304 L N -1.176 120.066 121.223 0.033 0.000 2.131 304 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 304 L C 2.457 179.368 176.870 0.068 0.000 1.092 304 L CA 1.227 56.097 54.840 0.050 0.000 0.759 304 L CB -0.696 41.392 42.059 0.048 0.000 0.903 304 L HN 0.241 nan 8.230 nan 0.000 0.435 305 S N -0.429 115.307 115.700 0.060 0.000 2.383 305 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 305 S C 1.950 176.610 174.600 0.099 0.000 1.026 305 S CA 1.195 59.437 58.200 0.069 0.000 0.981 305 S CB -0.190 63.040 63.200 0.050 0.000 0.818 305 S HN 0.369 nan 8.310 nan 0.000 0.472 306 M N 1.436 121.096 119.600 0.101 0.000 2.117 306 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 306 M C 1.770 178.241 176.300 0.285 0.000 1.065 306 M CA 1.610 57.009 55.300 0.165 0.000 1.114 306 M CB -0.841 31.815 32.600 0.093 0.000 1.361 306 M HN 0.299 nan 8.290 nan 0.000 0.408 307 L N -0.285 121.063 121.223 0.207 0.000 2.046 307 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 307 L C 2.449 179.470 176.870 0.252 0.000 1.077 307 L CA 1.259 56.252 54.840 0.255 0.000 0.747 307 L CB -0.764 41.395 42.059 0.166 0.000 0.896 307 L HN 0.305 nan 8.230 nan 0.000 0.432 308 S N -0.297 115.520 115.700 0.194 0.000 2.382 308 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 308 S C 1.457 176.215 174.600 0.264 0.000 1.027 308 S CA 1.362 59.683 58.200 0.202 0.000 0.991 308 S CB -0.303 62.974 63.200 0.128 0.000 0.823 308 S HN 0.453 nan 8.310 nan 0.000 0.469 309 D N -0.054 120.454 120.400 0.180 0.000 2.310 309 D HA -0.046 4.594 4.640 -0.000 0.000 0.212 309 D C 0.422 176.647 176.300 -0.125 0.000 0.965 309 D CA 0.920 54.962 54.000 0.069 0.000 0.879 309 D CB -0.106 40.664 40.800 -0.050 0.000 0.921 309 D HN 0.506 nan 8.370 nan 0.000 0.510 310 Y N 0.437 120.720 120.300 -0.029 0.000 2.658 310 Y HA 0.065 4.615 4.550 -0.000 0.000 0.276 310 Y C 1.716 177.287 175.900 -0.548 0.000 1.167 310 Y CA -1.019 56.819 58.100 -0.436 0.000 1.230 310 Y CB -0.313 38.025 38.460 -0.204 0.000 1.144 310 Y HN 0.097 nan 8.280 nan 0.000 0.529 311 W N 0.390 121.631 121.300 -0.098 0.000 2.308 311 W HA -0.373 4.287 4.660 -0.000 0.000 0.301 311 W C 1.329 177.818 176.519 -0.050 0.000 1.220 311 W CA 1.789 59.113 57.345 -0.035 0.000 1.240 311 W CB -1.701 27.773 29.460 0.024 0.000 1.142 311 W HN 0.489 nan 8.180 nan 0.000 0.521 312 Y N 0.389 119.909 120.300 -1.300 0.000 2.465 312 Y HA -0.012 4.538 4.550 -0.000 0.000 0.289 312 Y C 2.222 177.847 175.900 -0.458 0.000 1.150 312 Y CA 1.179 58.533 58.100 -1.243 0.000 1.293 312 Y CB -1.507 36.078 38.460 -1.458 0.000 0.977 312 Y HN -0.052 nan 8.280 nan 0.000 0.556 313 L N 0.686 121.572 121.223 -0.561 0.000 2.552 313 L HA -0.031 4.309 4.340 -0.000 0.000 0.227 313 L C 1.741 178.585 176.870 -0.044 0.000 1.146 313 L CA 1.120 55.786 54.840 -0.290 0.000 0.858 313 L CB -0.379 41.426 42.059 -0.423 0.000 0.969 313 L HN 0.499 nan 8.230 nan 0.000 0.451 314 S N -2.619 113.107 115.700 0.043 0.000 2.602 314 S HA 0.107 4.577 4.470 -0.000 0.000 0.240 314 S C 0.054 174.884 174.600 0.384 0.000 0.992 314 S CA -0.710 57.635 58.200 0.242 0.000 0.971 314 S CB -0.042 63.276 63.200 0.196 0.000 0.855 314 S HN 0.272 nan 8.310 nan 0.000 0.481 315 C N 2.234 121.654 119.300 0.199 0.000 2.356 315 C HA 0.816 5.276 4.460 -0.000 0.000 0.324 315 C C 0.815 175.611 174.990 -0.323 0.000 1.167 315 C CA -0.272 58.829 59.018 0.137 0.000 1.420 315 C CB -0.215 27.684 27.740 0.265 0.000 2.036 315 C HN 0.662 nan 8.230 nan 0.000 0.435 316 G N 5.210 113.464 108.800 -0.911 0.000 2.425 316 G HA2 0.558 4.518 3.960 -0.000 0.000 0.302 316 G HA3 0.558 4.518 3.960 -0.000 0.000 0.302 316 G C -0.587 173.857 174.900 -0.761 0.000 1.159 316 G CA -0.613 43.569 45.100 -1.529 0.000 0.865 316 G HN 0.871 nan 8.290 nan 0.000 0.515 317 L N 0.833 121.704 121.223 -0.586 0.000 2.367 317 L HA 0.180 4.520 4.340 -0.000 0.000 0.275 317 L C 0.178 176.939 176.870 -0.181 0.000 1.129 317 L CA -0.721 53.867 54.840 -0.421 0.000 0.839 317 L CB 1.246 42.862 42.059 -0.738 0.000 1.133 317 L HN 0.280 nan 8.230 nan 0.000 0.453 318 L N 4.780 126.054 121.223 0.086 0.000 2.387 318 L HA 0.215 4.555 4.340 -0.000 0.000 0.267 318 L C -0.361 176.712 176.870 0.338 0.000 1.197 318 L CA 0.238 55.206 54.840 0.213 0.000 1.070 318 L CB -0.448 41.743 42.059 0.221 0.000 1.349 318 L HN 0.283 nan 8.230 nan 0.000 0.422 319 F N 7.256 127.281 119.950 0.125 0.000 2.467 319 F HA 0.436 4.963 4.527 -0.000 0.000 0.362 319 F C -1.797 174.054 175.800 0.086 0.000 1.090 319 F CA -2.077 56.007 58.000 0.140 0.000 1.202 319 F CB 0.577 39.602 39.000 0.042 0.000 1.113 319 F HN 0.397 nan 8.300 nan 0.000 0.541 320 P HA 0.048 nan 4.420 nan 0.000 0.281 320 P C -1.358 175.807 177.300 -0.225 0.000 1.286 320 P CA -0.408 62.532 63.100 -0.267 0.000 0.772 320 P CB 1.055 32.531 31.700 -0.375 0.000 0.862 321 K N 3.458 123.917 120.400 0.099 0.000 2.349 321 K HA 0.367 4.687 4.320 -0.000 0.000 0.288 321 K C 0.024 176.689 176.600 0.107 0.000 1.058 321 K CA -0.516 55.898 56.287 0.211 0.000 0.953 321 K CB 0.259 32.896 32.500 0.228 0.000 0.997 321 K HN 0.460 nan 8.250 nan 0.000 0.477 322 A N 4.583 127.422 122.820 0.031 0.000 2.444 322 A HA 0.148 4.468 4.320 -0.000 0.000 0.273 322 A C -0.392 177.009 177.584 -0.305 0.000 1.136 322 A CA 0.024 51.938 52.037 -0.205 0.000 0.799 322 A CB 0.203 19.045 19.000 -0.263 0.000 1.081 322 A HN 0.872 nan 8.150 nan 0.000 0.509 323 E N 0.783 120.676 120.200 -0.511 0.000 2.456 323 E HA 0.483 4.833 4.350 -0.000 0.000 0.276 323 E C -0.737 175.533 176.600 -0.550 0.000 0.981 323 E CA -0.747 55.291 56.400 -0.605 0.000 0.814 323 E CB 1.149 30.186 29.700 -1.105 0.000 1.382 323 E HN 0.574 nan 8.360 nan 0.000 0.459 324 R N 2.462 122.818 120.500 -0.240 0.000 2.408 324 R HA 0.287 4.627 4.340 -0.000 0.000 0.308 324 R C -0.679 175.522 176.300 -0.164 0.000 1.210 324 R CA -0.231 55.832 56.100 -0.061 0.000 1.115 324 R CB -0.359 29.989 30.300 0.079 0.000 1.127 324 R HN 0.404 nan 8.270 nan 0.000 0.523 325 Y N 0.522 120.854 120.300 0.054 0.000 2.408 325 Y HA 0.142 4.692 4.550 -0.000 0.000 0.324 325 Y C 0.937 176.863 175.900 0.044 0.000 1.302 325 Y CA -0.581 57.562 58.100 0.072 0.000 1.384 325 Y CB 0.860 39.392 38.460 0.120 0.000 1.367 325 Y HN 0.330 nan 8.280 nan 0.000 0.525 326 D N 0.700 121.239 120.400 0.231 0.000 2.256 326 D HA 0.119 4.759 4.640 -0.000 0.000 0.250 326 D C 0.470 176.811 176.300 0.068 0.000 1.093 326 D CA -0.171 53.879 54.000 0.083 0.000 0.882 326 D CB 1.576 42.419 40.800 0.071 0.000 1.185 326 D HN 0.528 nan 8.370 nan 0.000 0.437 327 K N 0.638 120.939 120.400 -0.164 0.000 2.074 327 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 327 K C 1.835 178.445 176.600 0.017 0.000 1.048 327 K CA 1.413 57.494 56.287 -0.344 0.000 0.926 327 K CB -0.070 31.970 32.500 -0.766 0.000 0.713 327 K HN 0.394 nan 8.250 nan 0.000 0.444 328 S N -0.353 115.360 115.700 0.021 0.000 2.547 328 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 328 S C 1.545 176.212 174.600 0.112 0.000 0.980 328 S CA 1.147 59.394 58.200 0.077 0.000 0.941 328 S CB 0.142 63.367 63.200 0.043 0.000 0.763 328 S HN 0.093 nan 8.310 nan 0.000 0.532 329 T N 0.297 114.935 114.554 0.140 0.000 3.040 329 T HA 0.191 4.541 4.350 -0.000 0.000 0.266 329 T C 0.806 175.580 174.700 0.124 0.000 1.005 329 T CA -0.566 61.603 62.100 0.115 0.000 0.906 329 T CB -0.293 68.635 68.868 0.101 0.000 1.082 329 T HN 0.572 nan 8.240 nan 0.000 0.531 330 W N 1.254 122.545 121.300 -0.015 0.000 2.308 330 W HA -0.118 4.542 4.660 -0.000 0.000 0.301 330 W C 0.797 177.251 176.519 -0.108 0.000 1.220 330 W CA 1.066 58.391 57.345 -0.033 0.000 1.240 330 W CB 0.029 29.597 29.460 0.180 0.000 1.142 330 W HN 0.306 nan 8.180 nan 0.000 0.521 331 L N -0.239 121.023 121.223 0.064 0.000 2.616 331 L HA 0.019 4.359 4.340 -0.000 0.000 0.229 331 L C 1.996 178.786 176.870 -0.132 0.000 1.110 331 L CA 1.174 55.968 54.840 -0.077 0.000 0.884 331 L CB -0.411 41.645 42.059 -0.005 0.000 1.115 331 L HN -0.117 nan 8.230 nan 0.000 0.481 332 T N -4.057 110.441 114.554 -0.093 0.000 3.003 332 T HA 0.118 4.468 4.350 -0.000 0.000 0.261 332 T C 0.449 175.096 174.700 -0.088 0.000 1.003 332 T CA -0.261 61.793 62.100 -0.077 0.000 0.917 332 T CB 0.405 69.265 68.868 -0.014 0.000 1.084 332 T HN 0.079 nan 8.240 nan 0.000 0.522 333 K N 1.217 121.524 120.400 -0.156 0.000 2.695 333 K HA 0.430 4.750 4.320 -0.000 0.000 0.255 333 K C -1.850 174.521 176.600 -0.382 0.000 1.016 333 K CA -0.298 55.897 56.287 -0.154 0.000 0.928 333 K CB 1.657 34.141 32.500 -0.026 0.000 1.235 333 K HN 0.052 nan 8.250 nan 0.000 0.467 334 T N 3.621 117.959 114.554 -0.360 0.000 2.879 334 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 334 T C -0.562 174.075 174.700 -0.105 0.000 0.993 334 T CA -0.714 61.066 62.100 -0.532 0.000 0.975 334 T CB 1.243 69.769 68.868 -0.570 0.000 0.981 334 T HN 0.479 nan 8.240 nan 0.000 0.439 335 R N 2.636 123.221 120.500 0.142 0.000 2.539 335 R HA 0.373 4.713 4.340 -0.000 0.000 0.275 335 R C 0.085 176.469 176.300 0.140 0.000 1.077 335 R CA -0.529 55.672 56.100 0.169 0.000 1.097 335 R CB 0.429 30.860 30.300 0.219 0.000 1.018 335 R HN 0.515 nan 8.270 nan 0.000 0.483 336 N N 2.123 120.915 118.700 0.154 0.000 2.319 336 N HA 0.378 5.118 4.740 -0.000 0.000 0.305 336 N C -0.728 174.929 175.510 0.244 0.000 1.103 336 N CA -0.472 52.692 53.050 0.190 0.000 0.815 336 N CB 1.998 40.596 38.487 0.186 0.000 1.288 336 N HN 0.351 nan 8.380 nan 0.000 0.493 337 I N 1.030 121.781 120.570 0.303 0.000 2.362 337 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 337 I C -0.518 175.774 176.117 0.292 0.000 0.994 337 I CA -0.773 60.696 61.300 0.281 0.000 1.158 337 I CB 1.599 39.738 38.000 0.231 0.000 1.315 337 I HN 0.451 nan 8.210 nan 0.000 0.451 338 W N 7.407 128.773 121.300 0.109 0.000 2.430 338 W HA 0.176 4.836 4.660 -0.000 0.000 0.380 338 W C 0.689 177.231 176.519 0.038 0.000 1.045 338 W CA -0.142 57.257 57.345 0.091 0.000 1.547 338 W CB 0.747 30.264 29.460 0.095 0.000 1.554 338 W HN 0.393 nan 8.180 nan 0.000 0.378 339 S N 5.339 120.944 115.700 -0.159 0.000 2.503 339 S HA 0.443 4.913 4.470 -0.000 0.000 0.317 339 S C 0.537 174.887 174.600 -0.416 0.000 1.162 339 S CA -0.434 57.617 58.200 -0.248 0.000 1.124 339 S CB -0.588 62.438 63.200 -0.291 0.000 1.207 339 S HN 0.567 nan 8.310 nan 0.000 0.538 340 A N 7.043 129.750 122.820 -0.189 0.000 2.498 340 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 340 A C -2.346 175.157 177.584 -0.136 0.000 1.068 340 A CA -1.042 50.923 52.037 -0.120 0.000 0.766 340 A CB -0.272 18.959 19.000 0.385 0.000 1.003 340 A HN 0.591 nan 8.150 nan 0.000 0.497 341 P HA 0.132 nan 4.420 nan 0.000 0.268 341 P C 0.896 178.220 177.300 0.039 0.000 1.204 341 P CA 0.052 63.120 63.100 -0.053 0.000 0.768 341 P CB 0.895 32.576 31.700 -0.032 0.000 0.842 342 S N 4.991 120.718 115.700 0.046 0.000 2.378 342 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 342 S C -0.673 173.992 174.600 0.109 0.000 1.052 342 S CA 2.242 60.490 58.200 0.080 0.000 1.084 342 S CB -1.843 61.403 63.200 0.076 0.000 0.950 342 S HN 0.584 nan 8.310 nan 0.000 0.440 343 P HA -0.052 nan 4.420 nan 0.000 0.215 343 P C 1.490 178.799 177.300 0.015 0.000 1.157 343 P CA 1.387 64.505 63.100 0.030 0.000 0.868 343 P CB -0.266 31.434 31.700 -0.000 0.000 0.788 344 T N -2.028 112.548 114.554 0.037 0.000 2.746 344 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 344 T C 1.749 176.571 174.700 0.202 0.000 1.039 344 T CA 1.185 63.349 62.100 0.106 0.000 1.142 344 T CB -0.985 67.961 68.868 0.130 0.000 0.866 344 T HN 0.277 nan 8.240 nan 0.000 0.444 345 H N 0.361 119.496 119.070 0.110 0.000 2.357 345 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 345 H C 2.329 177.726 175.328 0.116 0.000 1.082 345 H CA 1.249 57.369 56.048 0.121 0.000 1.342 345 H CB -0.207 29.606 29.762 0.084 0.000 1.389 345 H HN 0.196 nan 8.280 nan 0.000 0.511 346 L N 0.721 122.039 121.223 0.159 0.000 2.017 346 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 346 L C 2.614 179.558 176.870 0.123 0.000 1.073 346 L CA 1.556 56.460 54.840 0.107 0.000 0.745 346 L CB -0.764 41.350 42.059 0.092 0.000 0.894 346 L HN 0.205 nan 8.230 nan 0.000 0.432 347 M N -0.839 118.830 119.600 0.115 0.000 2.080 347 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 347 M C 2.106 178.628 176.300 0.370 0.000 1.068 347 M CA 2.064 57.447 55.300 0.137 0.000 1.109 347 M CB -0.266 32.212 32.600 -0.204 0.000 1.342 347 M HN 0.283 nan 8.290 nan 0.000 0.405 348 I N -1.337 119.442 120.570 0.348 0.000 2.394 348 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 348 I C 2.079 178.305 176.117 0.183 0.000 1.136 348 I CA 0.906 62.390 61.300 0.307 0.000 1.425 348 I CB -0.420 37.682 38.000 0.171 0.000 1.079 348 I HN 0.199 nan 8.210 nan 0.000 0.425 349 S N 0.459 116.212 115.700 0.088 0.000 2.423 349 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 349 S C 1.938 176.671 174.600 0.223 0.000 1.014 349 S CA 1.092 59.351 58.200 0.098 0.000 0.965 349 S CB -0.151 63.036 63.200 -0.022 0.000 0.785 349 S HN 0.380 nan 8.310 nan 0.000 0.495 350 M N 0.306 120.029 119.600 0.205 0.000 2.460 350 M HA 0.043 4.523 4.480 -0.000 0.000 0.263 350 M C 1.427 177.800 176.300 0.121 0.000 1.071 350 M CA 1.071 56.480 55.300 0.181 0.000 1.096 350 M CB -0.337 32.301 32.600 0.063 0.000 1.408 350 M HN 0.321 nan 8.290 nan 0.000 0.463 351 I N -1.066 119.593 120.570 0.149 0.000 2.512 351 I HA -0.129 4.041 4.170 -0.000 0.000 0.247 351 I C 2.591 178.952 176.117 0.406 0.000 1.094 351 I CA 1.346 62.754 61.300 0.179 0.000 1.427 351 I CB -0.452 37.622 38.000 0.124 0.000 1.149 351 I HN 0.311 nan 8.210 nan 0.000 0.438 352 T N -1.926 112.782 114.554 0.258 0.000 2.852 352 T HA -0.185 4.165 4.350 -0.000 0.000 0.256 352 T C 1.681 176.465 174.700 0.140 0.000 1.038 352 T CA 0.453 62.662 62.100 0.182 0.000 1.141 352 T CB -0.830 68.124 68.868 0.143 0.000 0.869 352 T HN 0.474 nan 8.240 nan 0.000 0.439 353 W N 3.306 124.618 121.300 0.019 0.000 2.333 353 W HA 0.031 4.691 4.660 -0.000 0.000 0.316 353 W C -1.364 175.066 176.519 -0.147 0.000 1.215 353 W CA 1.307 58.632 57.345 -0.033 0.000 1.278 353 W CB -1.134 28.329 29.460 0.006 0.000 1.154 353 W HN 0.274 nan 8.180 nan 0.000 0.486 354 P HA -0.226 nan 4.420 nan 0.000 0.216 354 P C 1.751 178.532 177.300 -0.864 0.000 1.150 354 P CA 2.366 64.959 63.100 -0.845 0.000 0.843 354 P CB -0.168 31.076 31.700 -0.758 0.000 0.787 355 V N -1.605 117.947 119.914 -0.603 0.000 2.273 355 V HA -0.195 3.925 4.120 -0.000 0.000 0.242 355 V C 2.345 178.182 176.094 -0.428 0.000 1.035 355 V CA 1.730 63.692 62.300 -0.563 0.000 1.013 355 V CB -0.992 30.546 31.823 -0.475 0.000 0.652 355 V HN 0.043 nan 8.190 nan 0.000 0.452 356 M N 1.231 120.630 119.600 -0.334 0.000 2.117 356 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 356 M C 2.371 178.527 176.300 -0.240 0.000 1.065 356 M CA 2.120 57.264 55.300 -0.259 0.000 1.114 356 M CB -0.789 31.712 32.600 -0.165 0.000 1.361 356 M HN 0.534 nan 8.290 nan 0.000 0.408 357 S N -1.004 114.388 115.700 -0.515 0.000 2.507 357 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 357 S C 1.366 175.717 174.600 -0.415 0.000 0.988 357 S CA 1.015 58.878 58.200 -0.562 0.000 0.944 357 S CB -0.487 61.976 63.200 -1.227 0.000 0.762 357 S HN 0.494 nan 8.310 nan 0.000 0.526 358 N N 0.805 119.263 118.700 -0.403 0.000 2.234 358 N HA 0.265 5.005 4.740 -0.000 0.000 0.227 358 N C -0.862 174.535 175.510 -0.189 0.000 1.151 358 N CA 0.031 52.903 53.050 -0.297 0.000 0.865 358 N CB 1.007 39.277 38.487 -0.362 0.000 1.066 358 N HN 0.245 nan 8.380 nan 0.000 0.515 359 S N 1.392 117.020 115.700 -0.120 0.000 2.143 359 S HA 0.275 4.745 4.470 -0.000 0.000 0.188 359 S C -2.523 172.134 174.600 0.095 0.000 1.431 359 S CA -0.833 57.339 58.200 -0.048 0.000 1.253 359 S CB 1.277 64.413 63.200 -0.107 0.000 1.137 359 S HN 0.074 nan 8.310 nan 0.000 0.457 360 P HA 0.215 nan 4.420 nan 0.000 0.226 360 P C -0.841 176.511 177.300 0.086 0.000 1.783 360 P CA -0.243 62.899 63.100 0.069 0.000 0.980 360 P CB -0.448 31.249 31.700 -0.004 0.000 1.967 361 N N 2.689 121.470 118.700 0.134 0.000 2.446 361 N HA 0.250 4.990 4.740 -0.000 0.000 0.265 361 N C 0.023 175.617 175.510 0.140 0.000 0.975 361 N CA -0.359 52.753 53.050 0.103 0.000 0.928 361 N CB 1.520 40.046 38.487 0.065 0.000 1.160 361 N HN 0.373 nan 8.380 nan 0.000 0.495 362 N N -1.674 117.097 118.700 0.117 0.000 3.344 362 N HA 0.135 4.875 4.740 -0.000 0.000 0.296 362 N C 0.212 175.762 175.510 0.066 0.000 1.571 362 N CA -0.751 52.370 53.050 0.118 0.000 0.844 362 N CB 1.043 39.625 38.487 0.159 0.000 1.718 362 N HN -0.013 nan 8.380 nan 0.000 0.589 363 V N 0.527 120.448 119.914 0.011 0.000 2.688 363 V HA -0.106 4.014 4.120 -0.000 0.000 0.256 363 V C 1.832 177.922 176.094 -0.006 0.000 1.084 363 V CA 1.487 63.755 62.300 -0.053 0.000 1.103 363 V CB -0.895 30.766 31.823 -0.270 0.000 0.688 363 V HN 0.517 nan 8.190 nan 0.000 0.480 364 L N 0.667 121.911 121.223 0.036 0.000 2.492 364 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 364 L C 1.731 178.642 176.870 0.070 0.000 1.132 364 L CA 1.478 56.360 54.840 0.070 0.000 0.850 364 L CB -0.470 41.659 42.059 0.117 0.000 0.966 364 L HN 0.716 nan 8.230 nan 0.000 0.454 365 N N -0.948 117.791 118.700 0.065 0.000 2.184 365 N HA 0.244 4.984 4.740 -0.000 0.000 0.234 365 N C -0.059 175.484 175.510 0.056 0.000 1.282 365 N CA -0.254 52.830 53.050 0.058 0.000 0.877 365 N CB 1.004 39.522 38.487 0.051 0.000 1.184 365 N HN 0.102 nan 8.380 nan 0.000 0.510 366 I N 1.218 121.825 120.570 0.062 0.000 2.563 366 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 366 I C -0.728 175.434 176.117 0.075 0.000 1.123 366 I CA -0.651 60.686 61.300 0.063 0.000 1.059 366 I CB 2.447 40.484 38.000 0.061 0.000 1.229 366 I HN 0.155 nan 8.210 nan 0.000 0.442 367 E N 4.974 125.221 120.200 0.078 0.000 2.480 367 E HA 0.194 4.544 4.350 -0.000 0.000 0.258 367 E C 1.207 177.866 176.600 0.099 0.000 0.984 367 E CA 1.312 57.769 56.400 0.095 0.000 0.930 367 E CB 0.538 30.286 29.700 0.081 0.000 0.936 367 E HN 0.912 nan 8.360 nan 0.000 0.466 368 G N 3.343 112.222 108.800 0.131 0.000 2.225 368 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 368 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 368 G C 0.287 175.262 174.900 0.124 0.000 0.988 368 G CA 0.061 45.240 45.100 0.132 0.000 0.625 368 G HN 0.718 nan 8.290 nan 0.000 0.527 369 C N 3.596 122.957 119.300 0.102 0.000 2.555 369 C HA 0.586 5.046 4.460 -0.000 0.000 0.385 369 C C 0.141 175.167 174.990 0.061 0.000 1.296 369 C CA -0.877 58.191 59.018 0.083 0.000 1.757 369 C CB 0.663 28.447 27.740 0.074 0.000 2.445 369 C HN 0.390 nan 8.230 nan 0.000 0.571 370 P HA 0.021 nan 4.420 nan 0.000 0.255 370 P C 0.432 177.748 177.300 0.027 0.000 1.248 370 P CA 0.418 63.536 63.100 0.029 0.000 0.807 370 P CB 0.119 31.871 31.700 0.086 0.000 1.150 371 S N 0.346 116.106 115.700 0.100 0.000 2.576 371 S HA 0.231 4.701 4.470 -0.000 0.000 0.276 371 S C 0.791 175.501 174.600 0.183 0.000 1.339 371 S CA -0.373 57.954 58.200 0.211 0.000 1.039 371 S CB 0.024 63.369 63.200 0.242 0.000 0.902 371 S HN 0.021 nan 8.310 nan 0.000 0.516 372 L N 4.750 126.175 121.223 0.337 0.000 2.959 372 L HA 0.219 4.559 4.340 -0.000 0.000 0.259 372 L C 1.183 178.407 176.870 0.590 0.000 1.185 372 L CA -0.201 54.832 54.840 0.322 0.000 0.998 372 L CB -0.274 41.931 42.059 0.243 0.000 1.337 372 L HN 0.822 nan 8.230 nan 0.000 0.555 373 Y N 2.093 122.633 120.300 0.400 0.000 1.967 373 Y HA -0.383 4.167 4.550 -0.000 0.000 0.255 373 Y C 1.540 177.614 175.900 0.290 0.000 1.197 373 Y CA 1.771 60.040 58.100 0.281 0.000 1.088 373 Y CB 0.079 38.564 38.460 0.041 0.000 0.917 373 Y HN 0.026 nan 8.280 nan 0.000 0.497 374 K N -0.204 120.072 120.400 -0.207 0.000 2.814 374 K HA 0.086 4.406 4.320 -0.000 0.000 0.213 374 K C -0.512 176.056 176.600 -0.052 0.000 1.113 374 K CA -0.558 55.533 56.287 -0.326 0.000 1.145 374 K CB -0.521 31.736 32.500 -0.406 0.000 0.948 374 K HN 0.105 nan 8.250 nan 0.000 0.464 375 F N 2.127 122.040 119.950 -0.061 0.000 2.563 375 F HA 0.056 4.583 4.527 -0.000 0.000 0.363 375 F C 0.196 175.930 175.800 -0.111 0.000 1.123 375 F CA 0.169 58.129 58.000 -0.068 0.000 1.307 375 F CB 0.413 39.383 39.000 -0.049 0.000 1.115 375 F HN 0.071 nan 8.300 nan 0.000 0.592 376 N N 7.060 125.079 118.700 -1.136 0.000 2.454 376 N HA 0.263 5.003 4.740 -0.000 0.000 0.291 376 N C -2.367 172.260 175.510 -1.473 0.000 1.079 376 N CA -1.711 50.758 53.050 -0.969 0.000 0.893 376 N CB 2.634 40.885 38.487 -0.393 0.000 1.512 376 N HN 0.281 nan 8.380 nan 0.000 0.497 377 P HA -0.027 nan 4.420 nan 0.000 0.222 377 P C 0.420 177.216 177.300 -0.840 0.000 1.147 377 P CA 0.772 63.141 63.100 -1.218 0.000 0.790 377 P CB 0.179 30.951 31.700 -1.547 0.000 0.780 378 F N 0.108 119.774 119.950 -0.473 0.000 2.373 378 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 378 F C 1.790 177.424 175.800 -0.276 0.000 1.247 378 F CA -0.714 57.098 58.000 -0.313 0.000 1.169 378 F CB -0.029 38.842 39.000 -0.216 0.000 1.309 378 F HN -0.312 nan 8.300 nan 0.000 0.537 379 R N 0.173 120.627 120.500 -0.076 0.000 3.525 379 R HA -0.208 4.132 4.340 -0.000 0.000 0.276 379 R C 0.695 176.946 176.300 -0.082 0.000 1.116 379 R CA 0.460 56.472 56.100 -0.147 0.000 0.745 379 R CB -2.354 27.825 30.300 -0.201 0.000 1.185 379 R HN 1.187 nan 8.270 nan 0.000 0.454 380 G N -2.454 106.311 108.800 -0.059 0.000 2.176 380 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 380 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 380 G C 0.978 175.881 174.900 0.005 0.000 0.979 380 G CA 0.548 45.637 45.100 -0.018 0.000 0.641 380 G HN 0.655 nan 8.290 nan 0.000 0.530 381 G N 0.602 109.367 108.800 -0.059 0.000 2.459 381 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 381 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 381 G C 1.758 176.782 174.900 0.207 0.000 1.183 381 G CA 1.665 46.759 45.100 -0.010 0.000 0.776 381 G HN 1.093 nan 8.290 nan 0.000 0.552 382 L N 1.205 122.476 121.223 0.080 0.000 2.046 382 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 382 L C 2.400 179.330 176.870 0.100 0.000 1.077 382 L CA 2.451 57.377 54.840 0.142 0.000 0.747 382 L CB -0.721 41.339 42.059 0.002 0.000 0.896 382 L HN 0.346 nan 8.230 nan 0.000 0.432 383 N N -0.411 118.358 118.700 0.115 0.000 2.149 383 N HA -0.246 4.494 4.740 -0.000 0.000 0.188 383 N C 1.993 177.581 175.510 0.130 0.000 1.019 383 N CA 1.675 54.828 53.050 0.171 0.000 0.857 383 N CB -0.066 38.532 38.487 0.185 0.000 0.997 383 N HN 0.311 nan 8.380 nan 0.000 0.426 384 R N -0.438 120.136 120.500 0.124 0.000 2.092 384 R HA 0.018 4.358 4.340 -0.000 0.000 0.231 384 R C 1.843 178.213 176.300 0.117 0.000 1.119 384 R CA 0.981 57.156 56.100 0.125 0.000 0.970 384 R CB -0.157 30.218 30.300 0.126 0.000 0.864 384 R HN 0.283 nan 8.270 nan 0.000 0.440 385 I N 0.244 120.848 120.570 0.056 0.000 2.252 385 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 385 I C 2.268 178.429 176.117 0.074 0.000 1.102 385 I CA 1.276 62.572 61.300 -0.006 0.000 1.385 385 I CB -0.908 36.968 38.000 -0.207 0.000 1.064 385 I HN -0.025 nan 8.210 nan 0.000 0.414 386 V N 1.010 120.889 119.914 -0.059 0.000 2.287 386 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 386 V C 2.449 178.494 176.094 -0.082 0.000 1.053 386 V CA 1.714 63.887 62.300 -0.211 0.000 1.027 386 V CB -0.681 30.780 31.823 -0.603 0.000 0.646 386 V HN 0.433 nan 8.190 nan 0.000 0.447 387 E N -1.321 118.893 120.200 0.023 0.000 2.153 387 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 387 E C 1.921 178.594 176.600 0.123 0.000 0.988 387 E CA 1.621 58.071 56.400 0.083 0.000 0.811 387 E CB -0.233 29.542 29.700 0.125 0.000 0.746 387 E HN 0.812 nan 8.360 nan 0.000 0.466 388 W N 1.396 122.691 121.300 -0.009 0.000 2.388 388 W HA -0.118 4.542 4.660 -0.000 0.000 0.294 388 W C 1.725 178.262 176.519 0.030 0.000 1.212 388 W CA 1.207 58.563 57.345 0.018 0.000 1.271 388 W CB -0.069 29.403 29.460 0.020 0.000 1.126 388 W HN -0.076 nan 8.180 nan 0.000 0.535 389 I N 0.179 120.855 120.570 0.177 0.000 2.233 389 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 389 I C 2.378 178.441 176.117 -0.091 0.000 1.093 389 I CA 1.165 62.478 61.300 0.022 0.000 1.380 389 I CB -0.810 37.247 38.000 0.095 0.000 1.067 389 I HN -0.035 nan 8.210 nan 0.000 0.413 390 L N 1.047 122.233 121.223 -0.061 0.000 2.079 390 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 390 L C 1.608 178.436 176.870 -0.071 0.000 1.081 390 L CA 0.243 55.051 54.840 -0.053 0.000 0.752 390 L CB -0.699 41.347 42.059 -0.020 0.000 0.896 390 L HN 0.213 nan 8.230 nan 0.000 0.433 391 A N 0.859 123.619 122.820 -0.100 0.000 2.603 391 A HA -0.030 4.290 4.320 -0.000 0.000 0.235 391 A C -1.105 176.399 177.584 -0.134 0.000 1.035 391 A CA -0.473 51.494 52.037 -0.117 0.000 0.755 391 A CB -0.386 18.511 19.000 -0.173 0.000 0.954 391 A HN 0.139 nan 8.150 nan 0.000 0.511 392 P HA -0.099 nan 4.420 nan 0.000 0.222 392 P C 0.041 177.279 177.300 -0.103 0.000 1.147 392 P CA 0.803 63.854 63.100 -0.081 0.000 0.790 392 P CB -0.045 31.622 31.700 -0.054 0.000 0.780 393 E N 1.532 121.652 120.200 -0.132 0.000 2.442 393 E HA 0.106 4.456 4.350 -0.000 0.000 0.262 393 E C 0.594 177.097 176.600 -0.163 0.000 1.004 393 E CA 0.607 56.925 56.400 -0.137 0.000 0.928 393 E CB -0.067 29.547 29.700 -0.143 0.000 0.937 393 E HN 0.442 nan 8.360 nan 0.000 0.446 394 E N 0.758 120.885 120.200 -0.121 0.000 2.393 394 E HA 0.325 4.675 4.350 -0.000 0.000 0.282 394 E C -2.829 173.694 176.600 -0.129 0.000 1.096 394 E CA -1.679 54.658 56.400 -0.104 0.000 0.866 394 E CB 0.063 29.708 29.700 -0.092 0.000 1.232 394 E HN 0.150 nan 8.360 nan 0.000 0.431 395 P HA 0.226 nan 4.420 nan 0.000 0.275 395 P C -1.292 176.102 177.300 0.156 0.000 1.228 395 P CA -0.238 62.880 63.100 0.031 0.000 0.786 395 P CB 0.464 32.212 31.700 0.080 0.000 0.927 396 K N 0.413 120.986 120.400 0.288 0.000 2.509 396 K HA 0.923 5.243 4.320 -0.000 0.000 0.266 396 K C -1.681 175.232 176.600 0.522 0.000 0.987 396 K CA -1.241 55.252 56.287 0.342 0.000 0.868 396 K CB 2.212 34.737 32.500 0.042 0.000 1.421 396 K HN 0.348 nan 8.250 nan 0.000 0.444 397 A N 1.683 124.854 122.820 0.585 0.000 2.515 397 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 397 A C -1.428 176.311 177.584 0.259 0.000 1.059 397 A CA -0.924 51.337 52.037 0.372 0.000 0.698 397 A CB 1.323 20.422 19.000 0.166 0.000 1.289 397 A HN 0.597 nan 8.150 nan 0.000 0.404 398 L N 0.944 122.221 121.223 0.089 0.000 2.319 398 L HA 0.888 5.228 4.340 -0.000 0.000 0.267 398 L C -0.792 176.111 176.870 0.055 0.000 1.011 398 L CA -1.130 53.688 54.840 -0.038 0.000 0.818 398 L CB 2.023 43.982 42.059 -0.167 0.000 1.316 398 L HN 0.586 nan 8.230 nan 0.000 0.432 399 V N 1.624 121.589 119.914 0.085 0.000 2.969 399 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 399 V C -2.204 174.057 176.094 0.279 0.000 1.192 399 V CA -0.337 61.989 62.300 0.044 0.000 0.962 399 V CB 2.349 34.062 31.823 -0.184 0.000 1.045 399 V HN 0.634 nan 8.190 nan 0.000 0.428 400 Y N 6.442 126.816 120.300 0.124 0.000 2.294 400 Y HA 0.630 5.180 4.550 -0.000 0.000 0.329 400 Y C 0.313 176.337 175.900 0.206 0.000 1.135 400 Y CA 0.569 58.891 58.100 0.371 0.000 1.213 400 Y CB 1.264 39.968 38.460 0.407 0.000 1.141 400 Y HN 1.712 nan 8.280 nan 0.000 0.446 401 A N 3.262 126.033 122.820 -0.081 0.000 5.236 401 A HA -0.376 3.944 4.320 -0.000 0.000 0.326 401 A C 1.305 178.762 177.584 -0.211 0.000 1.825 401 A CA 2.097 53.892 52.037 -0.404 0.000 0.710 401 A CB -1.703 17.119 19.000 -0.296 0.000 1.383 401 A HN 0.990 nan 8.150 nan 0.000 0.386 402 D N 1.151 121.503 120.400 -0.081 0.000 2.325 402 D HA 0.087 4.727 4.640 -0.000 0.000 0.225 402 D C -0.104 176.149 176.300 -0.080 0.000 1.096 402 D CA 0.324 54.273 54.000 -0.084 0.000 0.844 402 D CB -0.679 40.099 40.800 -0.038 0.000 0.925 402 D HN 0.465 nan 8.370 nan 0.000 0.513 403 N N 0.922 119.591 118.700 -0.052 0.000 2.400 403 N HA 0.390 5.130 4.740 -0.000 0.000 0.288 403 N C -0.505 174.793 175.510 -0.354 0.000 1.024 403 N CA -0.376 52.561 53.050 -0.188 0.000 0.894 403 N CB 2.383 40.844 38.487 -0.043 0.000 1.173 403 N HN 0.118 nan 8.380 nan 0.000 0.487 404 I N 2.547 122.771 120.570 -0.577 0.000 2.466 404 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 404 I C -1.174 174.481 176.117 -0.771 0.000 1.026 404 I CA -0.739 60.237 61.300 -0.540 0.000 1.078 404 I CB 1.265 39.013 38.000 -0.420 0.000 1.249 404 I HN 0.339 nan 8.210 nan 0.000 0.429 405 Y N 6.554 126.671 120.300 -0.304 0.000 2.328 405 Y HA 0.611 5.161 4.550 -0.000 0.000 0.336 405 Y C -0.121 175.516 175.900 -0.438 0.000 0.960 405 Y CA -0.616 57.166 58.100 -0.531 0.000 1.134 405 Y CB 1.495 39.605 38.460 -0.582 0.000 1.166 405 Y HN 0.312 nan 8.280 nan 0.000 0.464 406 I N 3.741 124.090 120.570 -0.368 0.000 2.509 406 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 406 I C -1.017 175.127 176.117 0.045 0.000 1.020 406 I CA -1.138 60.064 61.300 -0.163 0.000 1.088 406 I CB 2.022 39.782 38.000 -0.400 0.000 1.267 406 I HN 0.251 nan 8.210 nan 0.000 0.430 407 V N 5.849 125.901 119.914 0.230 0.000 2.347 407 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 407 V C -0.484 175.801 176.094 0.318 0.000 1.021 407 V CA -0.403 62.077 62.300 0.299 0.000 0.847 407 V CB 1.030 32.990 31.823 0.228 0.000 0.990 407 V HN 0.591 nan 8.190 nan 0.000 0.444 408 H N 3.309 122.544 119.070 0.275 0.000 2.856 408 H HA 0.287 4.843 4.556 -0.000 0.000 0.355 408 H C 0.297 175.759 175.328 0.224 0.000 1.079 408 H CA -0.095 56.095 56.048 0.236 0.000 1.240 408 H CB 2.131 32.011 29.762 0.197 0.000 1.701 408 H HN 0.667 nan 8.280 nan 0.000 0.527 409 S N 3.698 119.519 115.700 0.201 0.000 3.549 409 S HA -0.292 4.178 4.470 -0.000 0.000 0.366 409 S C 0.749 175.443 174.600 0.158 0.000 1.012 409 S CA 1.076 59.394 58.200 0.196 0.000 1.141 409 S CB -1.507 61.889 63.200 0.327 0.000 0.910 409 S HN 0.921 nan 8.310 nan 0.000 0.471 410 N N -0.599 118.172 118.700 0.118 0.000 2.725 410 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 410 N C -0.595 174.978 175.510 0.105 0.000 1.103 410 N CA 1.701 54.805 53.050 0.091 0.000 0.707 410 N CB -1.255 37.264 38.487 0.053 0.000 1.043 410 N HN 0.675 nan 8.380 nan 0.000 0.553 411 T N 0.221 114.869 114.554 0.156 0.000 2.863 411 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 411 T C -0.900 173.862 174.700 0.103 0.000 1.009 411 T CA -0.626 61.501 62.100 0.045 0.000 0.989 411 T CB 1.427 70.246 68.868 -0.083 0.000 1.004 411 T HN 0.322 nan 8.240 nan 0.000 0.455 412 W N 4.759 125.946 121.300 -0.188 0.000 2.349 412 W HA 0.506 5.166 4.660 -0.000 0.000 0.309 412 W C -2.149 174.241 176.519 -0.214 0.000 1.083 412 W CA -0.950 56.356 57.345 -0.065 0.000 1.224 412 W CB 0.597 30.052 29.460 -0.009 0.000 1.256 412 W HN 0.638 nan 8.180 nan 0.000 0.461 413 Y N 3.950 124.004 120.300 -0.411 0.000 2.328 413 Y HA 0.195 4.745 4.550 -0.000 0.000 0.336 413 Y C 0.490 176.017 175.900 -0.623 0.000 0.960 413 Y CA -0.607 57.244 58.100 -0.415 0.000 1.134 413 Y CB 1.847 40.075 38.460 -0.387 0.000 1.166 413 Y HN 0.254 nan 8.280 nan 0.000 0.464 414 S N 5.064 120.620 115.700 -0.241 0.000 2.422 414 S HA 0.652 5.122 4.470 -0.000 0.000 0.298 414 S C -0.638 173.833 174.600 -0.215 0.000 1.118 414 S CA -0.380 57.703 58.200 -0.194 0.000 1.083 414 S CB -0.338 62.948 63.200 0.143 0.000 0.971 414 S HN 0.562 nan 8.310 nan 0.000 0.478 415 I N 4.032 124.376 120.570 -0.377 0.000 2.530 415 I HA 0.491 4.661 4.170 -0.000 0.000 0.297 415 I C -0.579 175.385 176.117 -0.256 0.000 1.011 415 I CA -0.765 60.362 61.300 -0.288 0.000 1.107 415 I CB 1.949 39.728 38.000 -0.370 0.000 1.285 415 I HN 0.461 nan 8.210 nan 0.000 0.436 416 D N 5.921 126.253 120.400 -0.114 0.000 2.646 416 D HA 0.441 5.081 4.640 -0.000 0.000 0.245 416 D C -0.524 175.788 176.300 0.021 0.000 1.099 416 D CA -0.408 53.556 54.000 -0.060 0.000 0.849 416 D CB 2.686 43.478 40.800 -0.014 0.000 1.448 416 D HN 0.250 nan 8.370 nan 0.000 0.489 417 L N 1.245 122.473 121.223 0.009 0.000 2.416 417 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 417 L C 1.097 177.998 176.870 0.051 0.000 1.161 417 L CA -0.030 54.848 54.840 0.063 0.000 0.845 417 L CB 0.406 42.463 42.059 -0.002 0.000 1.119 417 L HN 0.344 nan 8.230 nan 0.000 0.464 418 E N 5.122 125.355 120.200 0.056 0.000 2.159 418 E HA -0.001 4.349 4.350 -0.000 0.000 0.272 418 E C -0.421 176.188 176.600 0.016 0.000 1.138 418 E CA -0.264 56.152 56.400 0.027 0.000 0.915 418 E CB 0.157 29.857 29.700 -0.001 0.000 1.028 418 E HN 0.400 nan 8.360 nan 0.000 0.423 419 K N 3.163 123.580 120.400 0.027 0.000 3.257 419 K HA -0.250 4.070 4.320 -0.000 0.000 0.270 419 K C 0.963 177.574 176.600 0.018 0.000 0.984 419 K CA 0.068 56.375 56.287 0.033 0.000 0.739 419 K CB -1.729 30.792 32.500 0.034 0.000 1.351 419 K HN 0.935 nan 8.250 nan 0.000 0.463 420 G N 1.753 110.558 108.800 0.010 0.000 2.853 420 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.234 420 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.234 420 G C 1.140 176.019 174.900 -0.034 0.000 1.198 420 G CA 1.729 46.817 45.100 -0.020 0.000 0.767 420 G HN 0.604 nan 8.290 nan 0.000 0.657 421 E N 0.735 120.927 120.200 -0.013 0.000 2.108 421 E HA -0.117 4.233 4.350 -0.000 0.000 0.203 421 E C 2.771 179.360 176.600 -0.017 0.000 1.022 421 E CA 1.574 57.962 56.400 -0.019 0.000 0.823 421 E CB -0.643 29.064 29.700 0.012 0.000 0.744 421 E HN 0.509 nan 8.360 nan 0.000 0.456 422 A N 0.722 123.550 122.820 0.013 0.000 2.178 422 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 422 A C 1.566 179.154 177.584 0.007 0.000 1.157 422 A CA 1.164 53.220 52.037 0.032 0.000 0.689 422 A CB -0.317 18.713 19.000 0.049 0.000 0.787 422 A HN 0.170 nan 8.150 nan 0.000 0.465 423 N N -0.970 117.710 118.700 -0.033 0.000 2.422 423 N HA -0.010 4.730 4.740 -0.000 0.000 0.181 423 N C 0.384 175.838 175.510 -0.093 0.000 1.080 423 N CA 0.193 53.207 53.050 -0.059 0.000 0.893 423 N CB -0.193 38.239 38.487 -0.091 0.000 0.973 423 N HN 0.453 nan 8.380 nan 0.000 0.456 424 C N 1.364 120.605 119.300 -0.098 0.000 2.662 424 C HA 0.238 4.698 4.460 -0.000 0.000 0.420 424 C C 0.913 175.934 174.990 0.051 0.000 1.314 424 C CA 0.376 59.337 59.018 -0.096 0.000 1.963 424 C CB -0.084 27.599 27.740 -0.094 0.000 2.686 424 C HN 0.167 nan 8.230 nan 0.000 0.609 425 T N 3.654 118.355 114.554 0.245 0.000 2.912 425 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 425 T C 1.168 175.919 174.700 0.084 0.000 1.030 425 T CA -0.580 61.629 62.100 0.181 0.000 1.020 425 T CB 1.121 70.122 68.868 0.223 0.000 1.056 425 T HN 0.794 nan 8.240 nan 0.000 0.480 426 R N 0.813 121.320 120.500 0.012 0.000 2.103 426 R HA -0.130 4.210 4.340 -0.000 0.000 0.242 426 R C 2.438 178.738 176.300 0.001 0.000 1.142 426 R CA 1.657 57.749 56.100 -0.013 0.000 0.960 426 R CB 0.015 30.297 30.300 -0.031 0.000 0.858 426 R HN 0.605 nan 8.270 nan 0.000 0.439 427 Q N -0.347 119.442 119.800 -0.018 0.000 2.297 427 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 427 Q C 1.524 177.512 176.000 -0.021 0.000 0.962 427 Q CA 1.250 57.047 55.803 -0.009 0.000 0.879 427 Q CB -0.377 28.328 28.738 -0.055 0.000 0.947 427 Q HN 0.559 nan 8.270 nan 0.000 0.462 428 H N 0.876 119.942 119.070 -0.006 0.000 2.293 428 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 428 H C 2.026 177.343 175.328 -0.018 0.000 1.082 428 H CA 1.711 57.740 56.048 -0.032 0.000 1.308 428 H CB -0.160 29.562 29.762 -0.067 0.000 1.375 428 H HN 0.280 nan 8.280 nan 0.000 0.495 429 M N 0.726 120.386 119.600 0.100 0.000 2.213 429 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 429 M C 2.402 178.712 176.300 0.017 0.000 1.062 429 M CA 1.491 56.811 55.300 0.032 0.000 1.105 429 M CB -0.002 32.590 32.600 -0.013 0.000 1.385 429 M HN 0.216 nan 8.290 nan 0.000 0.417 430 Q N -0.108 119.707 119.800 0.026 0.000 2.084 430 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 430 Q C 1.887 177.864 176.000 -0.037 0.000 0.978 430 Q CA 1.812 57.613 55.803 -0.004 0.000 0.844 430 Q CB -0.164 28.621 28.738 0.079 0.000 0.898 430 Q HN 0.667 nan 8.270 nan 0.000 0.426 431 A N 0.523 123.405 122.820 0.104 0.000 1.972 431 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 431 A C 2.212 179.877 177.584 0.135 0.000 1.169 431 A CA 1.532 53.658 52.037 0.149 0.000 0.635 431 A CB -0.792 18.329 19.000 0.202 0.000 0.810 431 A HN 0.549 nan 8.150 nan 0.000 0.446 432 A N -0.838 122.037 122.820 0.093 0.000 1.898 432 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 432 A C 2.151 179.806 177.584 0.118 0.000 1.181 432 A CA 1.777 53.878 52.037 0.107 0.000 0.620 432 A CB -0.427 18.604 19.000 0.052 0.000 0.819 432 A HN 0.418 nan 8.150 nan 0.000 0.442 433 M N -1.806 117.818 119.600 0.039 0.000 2.175 433 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 433 M C 2.164 178.440 176.300 -0.040 0.000 1.063 433 M CA 1.367 56.662 55.300 -0.009 0.000 1.119 433 M CB -1.411 31.148 32.600 -0.067 0.000 1.377 433 M HN 0.657 nan 8.290 nan 0.000 0.415 434 Y N 0.405 120.584 120.300 -0.201 0.000 2.097 434 Y HA -0.351 4.199 4.550 -0.000 0.000 0.282 434 Y C 2.629 178.473 175.900 -0.092 0.000 1.152 434 Y CA 2.128 60.080 58.100 -0.247 0.000 1.136 434 Y CB -0.882 37.297 38.460 -0.469 0.000 0.975 434 Y HN 0.205 nan 8.280 nan 0.000 0.498 435 Y N 0.587 120.927 120.300 0.066 0.000 2.081 435 Y HA -0.317 4.233 4.550 -0.000 0.000 0.280 435 Y C 2.236 178.083 175.900 -0.089 0.000 1.163 435 Y CA 2.088 60.186 58.100 -0.003 0.000 1.135 435 Y CB -0.638 37.855 38.460 0.054 0.000 0.970 435 Y HN 0.184 nan 8.280 nan 0.000 0.498 436 I N 0.019 120.517 120.570 -0.119 0.000 2.286 436 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 436 I C 2.433 178.487 176.117 -0.106 0.000 1.115 436 I CA 1.408 62.616 61.300 -0.153 0.000 1.392 436 I CB -1.284 36.745 38.000 0.048 0.000 1.065 436 I HN 0.379 nan 8.210 nan 0.000 0.418 437 L N 0.214 121.380 121.223 -0.094 0.000 2.023 437 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 437 L C 2.735 179.577 176.870 -0.047 0.000 1.073 437 L CA 1.898 56.724 54.840 -0.024 0.000 0.745 437 L CB -0.940 40.877 42.059 -0.404 0.000 0.900 437 L HN 0.328 nan 8.230 nan 0.000 0.435 438 T N -2.580 111.800 114.554 -0.291 0.000 2.833 438 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 438 T C 1.989 176.549 174.700 -0.234 0.000 1.054 438 T CA 1.053 62.989 62.100 -0.273 0.000 1.135 438 T CB -0.091 68.454 68.868 -0.538 0.000 0.869 438 T HN 0.097 nan 8.240 nan 0.000 0.466 439 R N 0.535 120.807 120.500 -0.381 0.000 2.175 439 R HA 0.430 4.770 4.340 -0.000 0.000 0.202 439 R C 2.654 178.757 176.300 -0.328 0.000 1.018 439 R CA 0.961 56.831 56.100 -0.384 0.000 1.029 439 R CB -0.591 29.314 30.300 -0.658 0.000 0.959 439 R HN 0.526 nan 8.270 nan 0.000 0.480 440 G N -1.994 106.591 108.800 -0.359 0.000 2.709 440 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.208 440 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.208 440 G C 0.008 174.578 174.900 -0.550 0.000 1.129 440 G CA -0.239 44.567 45.100 -0.490 0.000 0.793 440 G HN 0.217 nan 8.290 nan 0.000 0.524 441 W N 1.724 122.976 121.300 -0.080 0.000 1.931 441 W HA 0.705 5.365 4.660 -0.000 0.000 0.346 441 W C -0.174 176.402 176.519 0.094 0.000 0.775 441 W CA -0.501 56.864 57.345 0.035 0.000 2.738 441 W CB 0.526 30.058 29.460 0.120 0.000 1.908 441 W HN -0.109 nan 8.180 nan 0.000 0.665 442 S N 0.955 116.734 115.700 0.131 0.000 2.572 442 S HA 0.105 4.575 4.470 -0.000 0.000 0.274 442 S C -1.508 173.095 174.600 0.006 0.000 1.150 442 S CA -0.759 57.483 58.200 0.069 0.000 0.944 442 S CB 2.160 65.391 63.200 0.052 0.000 1.071 442 S HN 0.139 nan 8.310 nan 0.000 0.479 443 D N 2.099 122.498 120.400 -0.000 0.000 2.454 443 D HA 0.251 4.891 4.640 -0.000 0.000 0.225 443 D C -0.294 176.004 176.300 -0.003 0.000 1.081 443 D CA -0.179 53.817 54.000 -0.006 0.000 0.864 443 D CB -0.101 40.698 40.800 -0.002 0.000 1.040 443 D HN 0.638 nan 8.370 nan 0.000 0.517 444 N N 2.734 121.435 118.700 0.001 0.000 2.721 444 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 444 N C 0.953 176.478 175.510 0.024 0.000 1.072 444 N CA 1.335 54.395 53.050 0.016 0.000 0.710 444 N CB -0.990 37.510 38.487 0.023 0.000 0.993 444 N HN 0.759 nan 8.380 nan 0.000 0.547 445 G N -1.877 106.928 108.800 0.009 0.000 2.194 445 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 445 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 445 G C -0.457 174.417 174.900 -0.044 0.000 0.987 445 G CA 0.102 45.200 45.100 -0.004 0.000 0.635 445 G HN 0.458 nan 8.290 nan 0.000 0.520 446 D N 2.304 122.680 120.400 -0.039 0.000 2.295 446 D HA 0.431 5.071 4.640 -0.000 0.000 0.248 446 D C -2.275 173.946 176.300 -0.132 0.000 1.154 446 D CA -1.034 52.920 54.000 -0.077 0.000 0.857 446 D CB 1.404 42.174 40.800 -0.049 0.000 1.117 446 D HN 0.093 nan 8.370 nan 0.000 0.468 447 P HA 0.047 nan 4.420 nan 0.000 0.266 447 P C 0.323 177.320 177.300 -0.506 0.000 1.195 447 P CA 0.025 62.728 63.100 -0.662 0.000 0.768 447 P CB 0.541 31.628 31.700 -1.021 0.000 0.838 448 M N 3.745 123.126 119.600 -0.364 0.000 2.869 448 M HA 0.293 4.773 4.480 -0.000 0.000 0.353 448 M C -0.817 175.496 176.300 0.022 0.000 1.224 448 M CA -0.116 55.165 55.300 -0.033 0.000 0.917 448 M CB -0.706 32.038 32.600 0.241 0.000 1.322 448 M HN 0.256 nan 8.290 nan 0.000 0.516 449 F N -0.751 119.188 119.950 -0.019 0.000 2.628 449 F HA 0.589 5.116 4.527 -0.000 0.000 0.309 449 F C -0.367 175.448 175.800 0.026 0.000 1.108 449 F CA -1.986 55.974 58.000 -0.066 0.000 0.971 449 F CB 0.272 39.201 39.000 -0.119 0.000 1.279 449 F HN 0.154 nan 8.300 nan 0.000 0.441 450 N N 0.792 119.646 118.700 0.256 0.000 2.364 450 N HA 0.216 4.956 4.740 -0.000 0.000 0.264 450 N C 0.433 176.123 175.510 0.299 0.000 1.263 450 N CA -0.510 52.657 53.050 0.196 0.000 0.959 450 N CB 0.395 38.981 38.487 0.165 0.000 1.204 450 N HN 0.638 nan 8.380 nan 0.000 0.550 451 Q N -0.750 119.160 119.800 0.184 0.000 2.369 451 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 451 Q C 1.239 177.313 176.000 0.123 0.000 0.963 451 Q CA 0.982 56.886 55.803 0.169 0.000 0.894 451 Q CB -0.706 28.091 28.738 0.099 0.000 0.965 451 Q HN 0.757 nan 8.270 nan 0.000 0.475 452 T N -0.461 114.144 114.554 0.084 0.000 2.674 452 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 452 T C 1.308 175.989 174.700 -0.032 0.000 1.039 452 T CA 1.243 63.315 62.100 -0.048 0.000 1.150 452 T CB -0.338 68.432 68.868 -0.163 0.000 0.864 452 T HN 0.426 nan 8.240 nan 0.000 0.427 453 W N 1.293 122.623 121.300 0.050 0.000 2.402 453 W HA 0.152 4.812 4.660 -0.000 0.000 0.286 453 W C 2.779 179.314 176.519 0.027 0.000 1.221 453 W CA 0.527 57.902 57.345 0.050 0.000 1.257 453 W CB -0.451 28.992 29.460 -0.029 0.000 1.120 453 W HN 0.237 nan 8.180 nan 0.000 0.551 454 A N -0.394 122.571 122.820 0.242 0.000 1.902 454 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 454 A C 1.894 179.511 177.584 0.055 0.000 1.181 454 A CA 2.263 54.335 52.037 0.059 0.000 0.623 454 A CB -1.215 17.902 19.000 0.195 0.000 0.818 454 A HN 0.197 nan 8.150 nan 0.000 0.443 455 T N -0.882 113.724 114.554 0.086 0.000 2.777 455 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 455 T C 1.594 176.326 174.700 0.053 0.000 1.040 455 T CA 1.527 63.656 62.100 0.049 0.000 1.141 455 T CB -0.370 68.516 68.868 0.030 0.000 0.868 455 T HN 0.469 nan 8.240 nan 0.000 0.444 456 F N 2.313 122.232 119.950 -0.051 0.000 2.051 456 F HA -0.021 4.506 4.527 -0.000 0.000 0.296 456 F C 2.477 178.275 175.800 -0.002 0.000 1.122 456 F CA 1.207 59.184 58.000 -0.038 0.000 1.201 456 F CB -0.893 38.033 39.000 -0.123 0.000 0.978 456 F HN 0.135 nan 8.300 nan 0.000 0.472 457 A N 0.401 123.212 122.820 -0.014 0.000 1.908 457 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 457 A C 2.181 179.660 177.584 -0.175 0.000 1.181 457 A CA 2.155 54.120 52.037 -0.119 0.000 0.627 457 A CB -0.625 18.359 19.000 -0.027 0.000 0.818 457 A HN 0.471 nan 8.150 nan 0.000 0.445 458 M N -0.874 118.649 119.600 -0.129 0.000 2.357 458 M HA 0.061 4.541 4.480 -0.000 0.000 0.266 458 M C 0.750 176.997 176.300 -0.088 0.000 1.095 458 M CA 1.001 56.233 55.300 -0.113 0.000 1.156 458 M CB -0.981 31.570 32.600 -0.081 0.000 1.365 458 M HN 0.386 nan 8.290 nan 0.000 0.447 459 N N -0.614 118.034 118.700 -0.087 0.000 2.171 459 N HA 0.191 4.931 4.740 -0.000 0.000 0.212 459 N C 1.235 176.686 175.510 -0.098 0.000 1.184 459 N CA 0.258 53.267 53.050 -0.069 0.000 0.888 459 N CB 1.659 40.129 38.487 -0.028 0.000 1.038 459 N HN 0.227 nan 8.380 nan 0.000 0.517 460 I N 0.428 120.883 120.570 -0.190 0.000 3.393 460 I HA 0.191 4.361 4.170 -0.000 0.000 0.250 460 I C 2.335 178.245 176.117 -0.345 0.000 1.122 460 I CA 0.409 61.589 61.300 -0.200 0.000 1.484 460 I CB -1.437 36.504 38.000 -0.098 0.000 1.468 460 I HN -0.138 nan 8.210 nan 0.000 0.461 461 A N 2.374 124.759 122.820 -0.724 0.000 1.915 461 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 461 A C -0.079 177.339 177.584 -0.276 0.000 1.198 461 A CA 2.427 54.099 52.037 -0.608 0.000 0.647 461 A CB -2.209 16.348 19.000 -0.739 0.000 0.825 461 A HN 0.302 nan 8.150 nan 0.000 0.456 462 P HA -0.059 nan 4.420 nan 0.000 0.217 462 P C 1.621 178.853 177.300 -0.114 0.000 1.150 462 P CA 1.795 64.815 63.100 -0.133 0.000 0.832 462 P CB -0.087 31.556 31.700 -0.096 0.000 0.787 463 A N -0.994 121.763 122.820 -0.106 0.000 2.014 463 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 463 A C 2.100 179.656 177.584 -0.048 0.000 1.163 463 A CA 0.970 52.967 52.037 -0.068 0.000 0.652 463 A CB -1.427 17.545 19.000 -0.046 0.000 0.808 463 A HN 0.109 nan 8.150 nan 0.000 0.449 464 L N -0.426 120.761 121.223 -0.060 0.000 2.109 464 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 464 L C 2.071 178.955 176.870 0.024 0.000 1.086 464 L CA 1.533 56.379 54.840 0.010 0.000 0.760 464 L CB -0.147 41.910 42.059 -0.003 0.000 0.910 464 L HN 0.445 nan 8.230 nan 0.000 0.437 465 V N -4.506 115.327 119.914 -0.136 0.000 3.477 465 V HA 0.300 4.420 4.120 -0.000 0.000 0.297 465 V C 0.311 176.107 176.094 -0.497 0.000 1.433 465 V CA -0.357 61.679 62.300 -0.441 0.000 1.052 465 V CB 0.666 32.291 31.823 -0.329 0.000 0.895 465 V HN -0.039 nan 8.190 nan 0.000 0.438 466 V N 1.250 121.000 119.914 -0.274 0.000 2.531 466 V HA 0.563 4.683 4.120 -0.000 0.000 0.301 466 V C 0.055 176.056 176.094 -0.155 0.000 1.034 466 V CA -0.306 61.863 62.300 -0.218 0.000 0.865 466 V CB 1.218 32.962 31.823 -0.132 0.000 0.995 466 V HN 0.430 nan 8.190 nan 0.000 0.424 467 D N 2.261 122.567 120.400 -0.157 0.000 2.837 467 D HA -0.163 4.477 4.640 -0.000 0.000 0.230 467 D C 1.175 177.407 176.300 -0.115 0.000 1.152 467 D CA 1.505 55.417 54.000 -0.146 0.000 0.736 467 D CB -0.598 40.133 40.800 -0.115 0.000 1.084 467 D HN 0.831 nan 8.370 nan 0.000 0.429 468 S N -1.436 114.222 115.700 -0.070 0.000 3.530 468 S HA 0.663 5.133 4.470 -0.000 0.000 0.180 468 S C 0.770 175.438 174.600 0.113 0.000 0.889 468 S CA 0.576 58.803 58.200 0.045 0.000 1.478 468 S CB 1.116 64.396 63.200 0.133 0.000 0.612 468 S HN 0.558 nan 8.310 nan 0.000 0.615 469 S N -0.746 115.134 115.700 0.300 0.000 2.643 469 S HA 0.722 5.192 4.470 -0.000 0.000 0.270 469 S C -0.695 174.202 174.600 0.495 0.000 1.166 469 S CA -0.529 57.865 58.200 0.323 0.000 0.815 469 S CB 0.838 64.178 63.200 0.234 0.000 1.139 469 S HN 1.742 nan 8.310 nan 0.000 0.472 470 C N 0.025 119.541 119.300 0.360 0.000 3.236 470 C HA 0.915 5.375 4.460 -0.000 0.000 0.312 470 C C -1.281 173.812 174.990 0.172 0.000 1.374 470 C CA -0.868 58.288 59.018 0.231 0.000 1.455 470 C CB 0.340 28.254 27.740 0.291 0.000 1.834 470 C HN 1.126 nan 8.230 nan 0.000 0.460 471 L N 2.076 123.357 121.223 0.097 0.000 2.325 471 L HA 0.858 5.198 4.340 -0.000 0.000 0.281 471 L C -0.950 176.029 176.870 0.182 0.000 1.004 471 L CA -0.400 54.520 54.840 0.133 0.000 0.823 471 L CB 1.067 43.196 42.059 0.118 0.000 1.236 471 L HN 0.850 nan 8.230 nan 0.000 0.415 472 I N 6.771 127.422 120.570 0.135 0.000 2.478 472 I HA 0.595 4.765 4.170 -0.000 0.000 0.287 472 I C 0.157 176.214 176.117 -0.101 0.000 1.042 472 I CA -0.204 61.157 61.300 0.101 0.000 1.067 472 I CB 1.165 39.243 38.000 0.129 0.000 1.233 472 I HN 0.934 nan 8.210 nan 0.000 0.431 473 M N 3.985 123.352 119.600 -0.389 0.000 7.319 473 M HA -0.350 4.130 4.480 -0.000 0.000 0.294 473 M C 0.208 176.198 176.300 -0.516 0.000 0.480 473 M CA 2.143 56.845 55.300 -0.996 0.000 1.311 473 M CB -1.051 31.200 32.600 -0.581 0.000 0.421 473 M HN 0.829 nan 8.290 nan 0.000 0.557 474 N N 1.302 119.893 118.700 -0.182 0.000 2.177 474 N HA 0.375 5.115 4.740 -0.000 0.000 0.218 474 N C -0.611 174.919 175.510 0.034 0.000 1.182 474 N CA 0.099 53.169 53.050 0.033 0.000 0.882 474 N CB -0.057 38.509 38.487 0.133 0.000 1.052 474 N HN 0.513 nan 8.380 nan 0.000 0.519 475 L N 0.846 122.071 121.223 0.004 0.000 2.292 475 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 475 L C 0.067 176.984 176.870 0.079 0.000 1.065 475 L CA -0.514 54.345 54.840 0.032 0.000 0.806 475 L CB 1.328 43.401 42.059 0.023 0.000 1.175 475 L HN -0.025 nan 8.230 nan 0.000 0.431 476 Q N 3.844 123.695 119.800 0.084 0.000 2.368 476 Q HA 0.484 4.824 4.340 -0.000 0.000 0.256 476 Q C -0.826 175.249 176.000 0.125 0.000 0.980 476 Q CA -0.444 55.429 55.803 0.117 0.000 0.887 476 Q CB 1.826 30.613 28.738 0.081 0.000 1.221 476 Q HN 0.393 nan 8.270 nan 0.000 0.458 477 I N 2.237 122.915 120.570 0.180 0.000 2.648 477 I HA 0.303 4.473 4.170 -0.000 0.000 0.304 477 I C 0.171 176.444 176.117 0.261 0.000 1.009 477 I CA -1.039 60.411 61.300 0.249 0.000 1.114 477 I CB 1.732 39.915 38.000 0.304 0.000 1.293 477 I HN 0.435 nan 8.210 nan 0.000 0.449 478 K N 2.438 122.973 120.400 0.225 0.000 2.355 478 K HA 0.208 4.528 4.320 -0.000 0.000 0.270 478 K C -0.620 176.041 176.600 0.102 0.000 1.003 478 K CA 0.331 56.620 56.287 0.003 0.000 0.957 478 K CB 0.448 32.742 32.500 -0.344 0.000 0.939 478 K HN 0.626 nan 8.250 nan 0.000 0.482 479 T N 4.580 119.130 114.554 -0.007 0.000 2.791 479 T HA 0.288 4.638 4.350 -0.000 0.000 0.288 479 T C -1.227 173.411 174.700 -0.104 0.000 0.999 479 T CA -0.314 61.854 62.100 0.114 0.000 0.952 479 T CB 0.020 68.982 68.868 0.157 0.000 0.938 479 T HN 0.338 nan 8.240 nan 0.000 0.444 480 Y N 2.349 122.661 120.300 0.021 0.000 2.350 480 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 480 Y C 1.282 177.165 175.900 -0.028 0.000 1.006 480 Y CA 0.375 58.456 58.100 -0.031 0.000 1.166 480 Y CB 0.816 39.250 38.460 -0.044 0.000 1.168 480 Y HN 1.065 nan 8.280 nan 0.000 0.502 481 G N 2.860 111.692 108.800 0.054 0.000 2.632 481 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.224 481 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.224 481 G C -0.766 174.081 174.900 -0.088 0.000 1.341 481 G CA -0.445 44.656 45.100 0.001 0.000 0.880 481 G HN 0.865 nan 8.290 nan 0.000 0.566 482 Q N -0.034 119.699 119.800 -0.111 0.000 2.306 482 Q HA 0.575 4.915 4.340 -0.000 0.000 0.241 482 Q C 0.596 176.427 176.000 -0.282 0.000 0.948 482 Q CA -0.268 55.409 55.803 -0.210 0.000 0.886 482 Q CB 1.280 29.929 28.738 -0.149 0.000 1.227 482 Q HN 1.605 nan 8.270 nan 0.000 0.457 483 G N 1.430 109.876 108.800 -0.590 0.000 2.396 483 G HA2 0.136 4.096 3.960 -0.000 0.000 0.292 483 G HA3 0.136 4.096 3.960 -0.000 0.000 0.292 483 G C -0.206 174.644 174.900 -0.083 0.000 1.106 483 G CA -0.572 44.128 45.100 -0.668 0.000 1.055 483 G HN 0.599 nan 8.290 nan 0.000 0.424 484 S N 1.936 117.689 115.700 0.089 0.000 2.611 484 S HA 0.393 4.863 4.470 -0.000 0.000 0.317 484 S C 1.585 176.329 174.600 0.240 0.000 1.208 484 S CA 0.980 59.271 58.200 0.152 0.000 1.217 484 S CB -0.374 62.921 63.200 0.159 0.000 1.085 484 S HN 1.725 nan 8.310 nan 0.000 0.529 485 G N 4.077 113.012 108.800 0.226 0.000 2.738 485 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.195 485 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.195 485 G C -0.120 174.977 174.900 0.329 0.000 1.001 485 G CA -0.237 45.017 45.100 0.258 0.000 0.759 485 G HN 0.947 nan 8.290 nan 0.000 0.494 486 N N 0.952 119.846 118.700 0.323 0.000 2.441 486 N HA 0.486 5.226 4.740 -0.000 0.000 0.251 486 N C 1.540 177.208 175.510 0.264 0.000 1.242 486 N CA 0.926 54.180 53.050 0.339 0.000 0.898 486 N CB 1.172 39.732 38.487 0.122 0.000 1.100 486 N HN 0.714 nan 8.380 nan 0.000 0.443 487 A N 1.843 124.773 122.820 0.184 0.000 2.159 487 A HA -0.134 4.186 4.320 -0.000 0.000 0.222 487 A C 1.733 179.369 177.584 0.087 0.000 1.163 487 A CA 1.800 53.829 52.037 -0.012 0.000 0.664 487 A CB -1.069 17.742 19.000 -0.314 0.000 0.803 487 A HN 0.961 nan 8.150 nan 0.000 0.470 488 A N -1.458 121.418 122.820 0.093 0.000 2.564 488 A HA 0.370 4.690 4.320 -0.000 0.000 0.279 488 A C 1.653 179.291 177.584 0.090 0.000 1.232 488 A CA 1.028 53.120 52.037 0.092 0.000 0.950 488 A CB -0.765 18.266 19.000 0.052 0.000 1.138 488 A HN 0.547 nan 8.150 nan 0.000 0.526 489 T N -1.519 113.106 114.554 0.117 0.000 2.788 489 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 489 T C 1.597 176.353 174.700 0.093 0.000 1.044 489 T CA 2.008 64.162 62.100 0.090 0.000 1.139 489 T CB -0.516 68.421 68.868 0.115 0.000 0.867 489 T HN 0.446 nan 8.240 nan 0.000 0.454 490 F N 1.567 121.538 119.950 0.034 0.000 2.051 490 F HA 0.091 4.618 4.527 -0.000 0.000 0.296 490 F C 2.031 177.811 175.800 -0.034 0.000 1.122 490 F CA 1.381 59.383 58.000 0.004 0.000 1.201 490 F CB -0.452 38.552 39.000 0.007 0.000 0.978 490 F HN 0.159 nan 8.300 nan 0.000 0.472 491 I N 0.756 121.352 120.570 0.044 0.000 2.151 491 I HA -0.397 3.773 4.170 -0.000 0.000 0.243 491 I C 2.128 178.157 176.117 -0.146 0.000 1.080 491 I CA 1.586 62.837 61.300 -0.083 0.000 1.339 491 I CB -0.794 37.235 38.000 0.049 0.000 1.039 491 I HN 0.254 nan 8.210 nan 0.000 0.409 492 N N 1.047 119.695 118.700 -0.086 0.000 2.149 492 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 492 N C 1.528 176.937 175.510 -0.168 0.000 1.019 492 N CA 1.556 54.547 53.050 -0.097 0.000 0.857 492 N CB -0.679 37.770 38.487 -0.063 0.000 0.997 492 N HN 0.528 nan 8.380 nan 0.000 0.426 493 N N -0.417 118.163 118.700 -0.200 0.000 2.171 493 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 493 N C 1.636 176.972 175.510 -0.291 0.000 1.021 493 N CA 0.469 53.383 53.050 -0.227 0.000 0.854 493 N CB -0.090 38.285 38.487 -0.188 0.000 0.994 493 N HN 0.293 nan 8.380 nan 0.000 0.426 494 H N 0.973 119.728 119.070 -0.526 0.000 2.352 494 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 494 H C 2.081 177.206 175.328 -0.339 0.000 1.097 494 H CA 1.112 56.849 56.048 -0.518 0.000 1.311 494 H CB -0.177 29.151 29.762 -0.724 0.000 1.377 494 H HN 0.090 nan 8.280 nan 0.000 0.504 495 L N 0.586 121.692 121.223 -0.194 0.000 2.012 495 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 495 L C 2.074 178.808 176.870 -0.227 0.000 1.073 495 L CA 1.616 56.343 54.840 -0.188 0.000 0.748 495 L CB -1.249 40.734 42.059 -0.126 0.000 0.891 495 L HN 0.444 nan 8.230 nan 0.000 0.431 496 L N -0.763 120.301 121.223 -0.264 0.000 2.012 496 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 496 L C 2.509 179.235 176.870 -0.241 0.000 1.073 496 L CA 1.547 56.212 54.840 -0.291 0.000 0.748 496 L CB -0.788 41.081 42.059 -0.317 0.000 0.891 496 L HN 0.231 nan 8.230 nan 0.000 0.431 497 S N -0.786 114.753 115.700 -0.268 0.000 2.368 497 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 497 S C 1.995 176.439 174.600 -0.260 0.000 1.030 497 S CA 1.813 59.849 58.200 -0.274 0.000 0.999 497 S CB -0.407 62.587 63.200 -0.343 0.000 0.844 497 S HN 0.448 nan 8.310 nan 0.000 0.459 498 T N 3.067 117.448 114.554 -0.288 0.000 2.720 498 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 498 T C 1.681 176.295 174.700 -0.143 0.000 1.037 498 T CA 1.027 62.997 62.100 -0.217 0.000 1.144 498 T CB -0.444 68.292 68.868 -0.219 0.000 0.864 498 T HN 0.288 nan 8.240 nan 0.000 0.444 499 L N 1.269 122.390 121.223 -0.170 0.000 2.141 499 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 499 L C 2.839 179.672 176.870 -0.061 0.000 1.094 499 L CA 0.934 55.686 54.840 -0.147 0.000 0.763 499 L CB -0.845 41.064 42.059 -0.250 0.000 0.908 499 L HN 0.275 nan 8.230 nan 0.000 0.437 500 V N -2.113 117.740 119.914 -0.102 0.000 2.591 500 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 500 V C 2.178 178.218 176.094 -0.090 0.000 1.053 500 V CA 1.051 63.282 62.300 -0.115 0.000 1.068 500 V CB -0.344 31.357 31.823 -0.202 0.000 0.689 500 V HN 0.316 nan 8.190 nan 0.000 0.462 501 L N 0.669 121.856 121.223 -0.060 0.000 2.083 501 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 501 L C 2.553 179.529 176.870 0.178 0.000 1.083 501 L CA 2.247 57.141 54.840 0.090 0.000 0.752 501 L CB -0.711 41.376 42.059 0.046 0.000 0.899 501 L HN 0.457 nan 8.230 nan 0.000 0.433 502 D N -0.672 119.782 120.400 0.090 0.000 2.117 502 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 502 D C 2.234 178.591 176.300 0.096 0.000 0.982 502 D CA 1.142 55.202 54.000 0.100 0.000 0.828 502 D CB 0.174 41.057 40.800 0.138 0.000 0.967 502 D HN 0.122 nan 8.370 nan 0.000 0.464 503 Q N -0.899 118.958 119.800 0.096 0.000 2.167 503 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 503 Q C 1.925 177.966 176.000 0.068 0.000 0.970 503 Q CA 0.728 56.568 55.803 0.063 0.000 0.855 503 Q CB -0.624 28.139 28.738 0.041 0.000 0.911 503 Q HN 0.518 nan 8.270 nan 0.000 0.438 504 W N 2.775 123.989 121.300 -0.144 0.000 2.355 504 W HA -0.145 4.514 4.660 -0.000 0.000 0.309 504 W C 1.521 178.017 176.519 -0.039 0.000 1.206 504 W CA 1.403 58.666 57.345 -0.138 0.000 1.284 504 W CB -0.460 28.926 29.460 -0.123 0.000 1.145 504 W HN 0.135 nan 8.180 nan 0.000 0.502 505 N N 0.480 119.165 118.700 -0.024 0.000 2.069 505 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 505 N C 1.892 177.308 175.510 -0.155 0.000 1.031 505 N CA 2.174 55.105 53.050 -0.199 0.000 0.852 505 N CB -1.107 37.337 38.487 -0.072 0.000 1.018 505 N HN 0.263 nan 8.380 nan 0.000 0.423 506 L N 0.262 121.441 121.223 -0.074 0.000 2.265 506 L HA -0.007 4.333 4.340 -0.000 0.000 0.215 506 L C 1.736 178.564 176.870 -0.070 0.000 1.117 506 L CA 0.712 55.513 54.840 -0.066 0.000 0.782 506 L CB -0.284 41.749 42.059 -0.044 0.000 0.914 506 L HN 0.160 nan 8.230 nan 0.000 0.441 507 M N -0.870 118.685 119.600 -0.075 0.000 2.494 507 M HA 0.096 4.576 4.480 -0.000 0.000 0.232 507 M C 0.160 176.406 176.300 -0.091 0.000 1.137 507 M CA 0.250 55.517 55.300 -0.055 0.000 1.012 507 M CB 0.326 32.922 32.600 -0.007 0.000 1.567 507 M HN 0.083 nan 8.290 nan 0.000 0.486 508 R N 0.732 121.133 120.500 -0.165 0.000 3.644 508 R HA -0.153 4.187 4.340 -0.000 0.000 0.308 508 R C -0.782 175.344 176.300 -0.289 0.000 1.161 508 R CA 0.211 56.194 56.100 -0.195 0.000 0.819 508 R CB -2.620 27.618 30.300 -0.104 0.000 1.363 508 R HN 0.567 nan 8.270 nan 0.000 0.479 509 Q N -3.062 116.387 119.800 -0.586 0.000 2.453 509 Q HA -0.180 4.160 4.340 -0.000 0.000 0.350 509 Q C -2.326 173.662 176.000 -0.019 0.000 1.447 509 Q CA 0.504 55.681 55.803 -1.044 0.000 0.968 509 Q CB -0.923 27.071 28.738 -1.240 0.000 1.175 509 Q HN 0.305 nan 8.270 nan 0.000 0.354 510 P HA 0.030 nan 4.420 nan 0.000 0.273 510 P C -0.186 177.229 177.300 0.191 0.000 1.250 510 P CA -0.404 62.867 63.100 0.285 0.000 0.793 510 P CB 0.602 32.465 31.700 0.271 0.000 1.011 511 R N 2.422 122.745 120.500 -0.296 0.000 2.442 511 R HA 0.116 4.456 4.340 -0.000 0.000 0.291 511 R C -1.552 174.369 176.300 -0.630 0.000 1.069 511 R CA -1.240 54.363 56.100 -0.829 0.000 1.022 511 R CB -0.239 29.700 30.300 -0.602 0.000 0.976 511 R HN 0.358 nan 8.270 nan 0.000 0.443 512 P HA -0.208 nan 4.420 nan 0.000 0.218 512 P C -0.288 176.591 177.300 -0.702 0.000 1.146 512 P CA 1.353 63.515 63.100 -1.563 0.000 0.820 512 P CB 0.208 30.775 31.700 -1.888 0.000 0.778 513 D N -1.335 118.819 120.400 -0.410 0.000 2.349 513 D HA -0.008 4.632 4.640 -0.000 0.000 0.224 513 D C 0.740 177.019 176.300 -0.036 0.000 1.029 513 D CA 0.496 54.428 54.000 -0.113 0.000 0.879 513 D CB -0.218 40.580 40.800 -0.003 0.000 0.906 513 D HN 0.286 nan 8.370 nan 0.000 0.528 514 S N 0.004 115.683 115.700 -0.035 0.000 2.617 514 S HA 0.175 4.645 4.470 -0.000 0.000 0.269 514 S C 1.135 175.799 174.600 0.107 0.000 1.292 514 S CA -0.695 57.531 58.200 0.043 0.000 1.010 514 S CB 2.355 65.582 63.200 0.045 0.000 0.944 514 S HN -0.059 nan 8.310 nan 0.000 0.536 515 E N 1.011 121.261 120.200 0.082 0.000 2.110 515 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 515 E C 1.833 178.496 176.600 0.105 0.000 0.988 515 E CA 1.503 57.952 56.400 0.082 0.000 0.804 515 E CB -0.121 29.610 29.700 0.052 0.000 0.745 515 E HN 0.799 nan 8.360 nan 0.000 0.458 516 E N 0.052 120.318 120.200 0.110 0.000 2.058 516 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 516 E C 1.829 178.524 176.600 0.159 0.000 0.997 516 E CA 1.058 57.526 56.400 0.113 0.000 0.801 516 E CB -0.197 29.569 29.700 0.109 0.000 0.746 516 E HN 0.212 nan 8.360 nan 0.000 0.450 517 F N 1.724 121.719 119.950 0.075 0.000 2.146 517 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 517 F C 2.239 178.163 175.800 0.207 0.000 1.096 517 F CA 1.229 59.288 58.000 0.098 0.000 1.275 517 F CB 0.185 39.172 39.000 -0.021 0.000 1.008 517 F HN -0.210 nan 8.300 nan 0.000 0.480 518 K N 0.599 121.234 120.400 0.392 0.000 2.147 518 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 518 K C 2.335 178.998 176.600 0.106 0.000 1.049 518 K CA 1.409 57.874 56.287 0.298 0.000 0.936 518 K CB -0.773 31.824 32.500 0.161 0.000 0.722 518 K HN 0.442 nan 8.250 nan 0.000 0.446 519 S N 0.596 116.342 115.700 0.077 0.000 2.440 519 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 519 S C 2.028 176.633 174.600 0.010 0.000 1.010 519 S CA 0.818 59.032 58.200 0.023 0.000 0.972 519 S CB -0.584 62.631 63.200 0.026 0.000 0.774 519 S HN 0.282 nan 8.310 nan 0.000 0.501 520 I N 1.642 122.230 120.570 0.030 0.000 2.335 520 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 520 I C 2.820 178.967 176.117 0.050 0.000 1.129 520 I CA 1.499 62.817 61.300 0.029 0.000 1.402 520 I CB -0.458 37.511 38.000 -0.051 0.000 1.069 520 I HN 0.422 nan 8.210 nan 0.000 0.424 521 E N 0.694 120.865 120.200 -0.049 0.000 2.038 521 E HA -0.315 4.035 4.350 -0.000 0.000 0.195 521 E C 1.695 178.231 176.600 -0.108 0.000 1.000 521 E CA 1.992 58.258 56.400 -0.223 0.000 0.803 521 E CB -0.158 29.267 29.700 -0.458 0.000 0.750 521 E HN 0.431 nan 8.360 nan 0.000 0.448 522 D N 0.148 120.500 120.400 -0.080 0.000 2.219 522 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 522 D C 1.597 177.887 176.300 -0.016 0.000 0.970 522 D CA 1.044 55.017 54.000 -0.046 0.000 0.851 522 D CB 0.177 40.954 40.800 -0.037 0.000 0.943 522 D HN -0.001 nan 8.370 nan 0.000 0.488 523 K N -0.710 119.689 120.400 -0.002 0.000 2.103 523 K HA 0.050 4.370 4.320 -0.000 0.000 0.204 523 K C 1.643 178.270 176.600 0.045 0.000 1.052 523 K CA 0.689 56.990 56.287 0.022 0.000 0.945 523 K CB 0.223 32.740 32.500 0.029 0.000 0.722 523 K HN 0.240 nan 8.250 nan 0.000 0.443 524 L N -1.024 120.224 121.223 0.041 0.000 2.638 524 L HA 0.223 4.563 4.340 -0.000 0.000 0.232 524 L C 0.946 177.841 176.870 0.041 0.000 1.099 524 L CA 0.119 54.993 54.840 0.056 0.000 0.883 524 L CB 0.568 42.656 42.059 0.050 0.000 1.136 524 L HN 0.362 nan 8.230 nan 0.000 0.492 525 G N 1.571 110.375 108.800 0.006 0.000 2.153 525 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 525 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 525 G C 0.133 175.016 174.900 -0.027 0.000 0.994 525 G CA 0.103 45.198 45.100 -0.008 0.000 0.698 525 G HN 0.316 nan 8.290 nan 0.000 0.521 526 I N 1.017 121.563 120.570 -0.040 0.000 2.339 526 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 526 I C 0.327 176.374 176.117 -0.117 0.000 0.994 526 I CA -0.718 60.552 61.300 -0.050 0.000 1.191 526 I CB 1.120 39.111 38.000 -0.014 0.000 1.343 526 I HN 0.080 nan 8.210 nan 0.000 0.458 527 N N 6.789 125.410 118.700 -0.131 0.000 2.524 527 N HA 0.622 5.362 4.740 -0.000 0.000 0.283 527 N C -1.075 174.366 175.510 -0.114 0.000 1.142 527 N CA -0.255 52.654 53.050 -0.235 0.000 0.984 527 N CB 1.375 39.777 38.487 -0.142 0.000 1.155 527 N HN 0.380 nan 8.380 nan 0.000 0.467 528 F N -1.149 118.781 119.950 -0.034 0.000 2.741 528 F HA 0.598 5.125 4.527 -0.000 0.000 0.313 528 F C -1.367 174.426 175.800 -0.012 0.000 1.153 528 F CA -1.332 56.648 58.000 -0.032 0.000 0.931 528 F CB 1.173 40.151 39.000 -0.038 0.000 1.335 528 F HN 0.403 nan 8.300 nan 0.000 0.460 529 K N 0.700 121.312 120.400 0.353 0.000 2.575 529 K HA 0.692 5.012 4.320 -0.000 0.000 0.279 529 K C -2.055 174.612 176.600 0.112 0.000 0.969 529 K CA -0.905 55.516 56.287 0.223 0.000 0.868 529 K CB 2.468 35.030 32.500 0.103 0.000 1.457 529 K HN 0.756 nan 8.250 nan 0.000 0.426 530 I N 2.748 123.361 120.570 0.073 0.000 2.337 530 I HA 0.044 4.214 4.170 -0.000 0.000 0.291 530 I C 1.026 177.162 176.117 0.031 0.000 1.046 530 I CA -0.202 61.109 61.300 0.017 0.000 1.324 530 I CB 1.182 39.201 38.000 0.032 0.000 1.409 530 I HN 0.894 nan 8.210 nan 0.000 0.494 531 E N 6.456 126.667 120.200 0.019 0.000 2.340 531 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 531 E C 0.593 177.222 176.600 0.049 0.000 0.996 531 E CA 0.236 56.658 56.400 0.036 0.000 0.869 531 E CB 0.477 30.200 29.700 0.037 0.000 0.835 531 E HN 0.560 nan 8.360 nan 0.000 0.493 532 R N -0.374 120.157 120.500 0.052 0.000 2.604 532 R HA 0.476 4.816 4.340 -0.000 0.000 0.270 532 R C -1.802 174.523 176.300 0.042 0.000 1.052 532 R CA -0.454 55.689 56.100 0.071 0.000 0.902 532 R CB 1.971 32.351 30.300 0.133 0.000 1.233 532 R HN 0.047 nan 8.270 nan 0.000 0.455 533 S N 4.500 120.204 115.700 0.006 0.000 2.571 533 S HA 0.635 5.105 4.470 -0.000 0.000 0.284 533 S C -1.123 173.436 174.600 -0.069 0.000 1.128 533 S CA -0.633 57.487 58.200 -0.134 0.000 0.970 533 S CB 0.956 64.060 63.200 -0.160 0.000 1.039 533 S HN 0.506 nan 8.310 nan 0.000 0.485 534 I N 4.002 124.527 120.570 -0.076 0.000 2.476 534 I HA 0.320 4.490 4.170 -0.000 0.000 0.281 534 I C -0.754 175.337 176.117 -0.044 0.000 1.040 534 I CA -0.754 60.541 61.300 -0.008 0.000 1.094 534 I CB 1.781 39.821 38.000 0.067 0.000 1.219 534 I HN 0.513 nan 8.210 nan 0.000 0.450 535 D N 4.306 124.676 120.400 -0.048 0.000 2.344 535 D HA 0.032 4.672 4.640 -0.000 0.000 0.244 535 D C 0.395 176.693 176.300 -0.002 0.000 1.134 535 D CA 0.422 54.404 54.000 -0.029 0.000 0.930 535 D CB 0.843 41.632 40.800 -0.019 0.000 1.175 535 D HN 0.632 nan 8.370 nan 0.000 0.437 536 D N 0.606 121.013 120.400 0.012 0.000 2.697 536 D HA -0.229 4.411 4.640 -0.000 0.000 0.235 536 D C 0.830 177.136 176.300 0.009 0.000 1.167 536 D CA 0.166 54.175 54.000 0.014 0.000 0.656 536 D CB -1.120 39.685 40.800 0.009 0.000 1.025 536 D HN 0.494 nan 8.370 nan 0.000 0.419 537 I N 0.186 120.767 120.570 0.019 0.000 2.252 537 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 537 I C 2.329 178.434 176.117 -0.020 0.000 1.102 537 I CA 0.917 62.217 61.300 0.001 0.000 1.385 537 I CB -0.015 38.011 38.000 0.043 0.000 1.064 537 I HN 0.231 nan 8.210 nan 0.000 0.414 538 R N 0.415 120.912 120.500 -0.005 0.000 2.073 538 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 538 R C 2.309 178.605 176.300 -0.007 0.000 1.134 538 R CA 1.495 57.586 56.100 -0.015 0.000 0.952 538 R CB -0.936 29.358 30.300 -0.009 0.000 0.850 538 R HN 0.486 nan 8.270 nan 0.000 0.433 539 G N 1.707 110.506 108.800 -0.001 0.000 2.446 539 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 539 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 539 G C 1.291 176.193 174.900 0.003 0.000 1.168 539 G CA 0.840 45.941 45.100 0.001 0.000 0.771 539 G HN 0.268 nan 8.290 nan 0.000 0.551 540 K N -0.187 120.212 120.400 -0.002 0.000 2.097 540 K HA 0.113 4.433 4.320 -0.000 0.000 0.206 540 K C 2.509 179.118 176.600 0.014 0.000 1.049 540 K CA 0.592 56.880 56.287 0.001 0.000 0.933 540 K CB -0.232 32.261 32.500 -0.011 0.000 0.717 540 K HN 0.266 nan 8.250 nan 0.000 0.442 541 L N 0.416 121.638 121.223 -0.001 0.000 2.093 541 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 541 L C 2.414 179.377 176.870 0.156 0.000 1.085 541 L CA 1.223 56.079 54.840 0.027 0.000 0.755 541 L CB -0.270 41.722 42.059 -0.110 0.000 0.904 541 L HN 0.136 nan 8.230 nan 0.000 0.435 542 R N -0.431 120.120 120.500 0.085 0.000 2.092 542 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 542 R C 2.234 178.539 176.300 0.008 0.000 1.119 542 R CA 1.113 57.251 56.100 0.063 0.000 0.970 542 R CB -0.271 30.040 30.300 0.019 0.000 0.864 542 R HN 0.386 nan 8.270 nan 0.000 0.440 543 Q N 0.989 120.797 119.800 0.014 0.000 2.291 543 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 543 Q C 1.904 177.902 176.000 -0.002 0.000 0.976 543 Q CA 0.928 56.729 55.803 -0.004 0.000 0.875 543 Q CB 0.032 28.773 28.738 0.005 0.000 0.927 543 Q HN 0.383 nan 8.270 nan 0.000 0.450 544 L N -0.586 120.665 121.223 0.046 0.000 2.131 544 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 544 L C 2.235 179.083 176.870 -0.036 0.000 1.092 544 L CA 0.652 55.536 54.840 0.074 0.000 0.759 544 L CB -0.369 41.828 42.059 0.231 0.000 0.903 544 L HN 0.151 nan 8.230 nan 0.000 0.435 545 V N -0.163 119.603 119.914 -0.247 0.000 2.307 545 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 545 V C 2.353 178.267 176.094 -0.299 0.000 1.045 545 V CA 1.581 63.496 62.300 -0.643 0.000 1.024 545 V CB -0.418 30.918 31.823 -0.813 0.000 0.651 545 V HN 0.311 nan 8.190 nan 0.000 0.449 546 L N -0.276 120.842 121.223 -0.174 0.000 2.046 546 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 546 L C 1.818 178.661 176.870 -0.045 0.000 1.077 546 L CA 2.012 56.796 54.840 -0.093 0.000 0.747 546 L CB -0.317 41.704 42.059 -0.064 0.000 0.896 546 L HN 0.245 nan 8.230 nan 0.000 0.432 547 L N -0.144 121.064 121.223 -0.025 0.000 2.700 547 L HA 0.361 4.701 4.340 -0.000 0.000 0.234 547 L C 0.895 177.780 176.870 0.024 0.000 1.156 547 L CA -0.267 54.573 54.840 0.001 0.000 0.946 547 L CB -0.576 41.485 42.059 0.003 0.000 1.216 547 L HN 0.185 nan 8.230 nan 0.000 0.493 548 A N 0.732 123.582 122.820 0.050 0.000 2.546 548 A HA 0.173 4.493 4.320 -0.000 0.000 0.243 548 A C 0.314 177.933 177.584 0.058 0.000 1.063 548 A CA 0.186 52.278 52.037 0.091 0.000 0.757 548 A CB 0.151 19.265 19.000 0.191 0.000 0.991 548 A HN 0.255 nan 8.150 nan 0.000 0.503 549 Q N 1.864 121.690 119.800 0.043 0.000 2.205 549 Q HA 0.452 4.792 4.340 -0.000 0.000 0.249 549 Q C -2.356 173.658 176.000 0.023 0.000 0.948 549 Q CA -1.981 53.834 55.803 0.021 0.000 0.895 549 Q CB 0.743 29.480 28.738 -0.001 0.000 1.249 549 Q HN 0.592 nan 8.270 nan 0.000 0.458 550 P HA 0.260 nan 4.420 nan 0.000 0.271 550 P C -0.398 176.890 177.300 -0.020 0.000 1.216 550 P CA 0.215 63.312 63.100 -0.003 0.000 0.776 550 P CB 0.898 32.588 31.700 -0.016 0.000 0.881 551 G N 0.646 109.435 108.800 -0.018 0.000 2.500 551 G HA2 0.168 4.128 3.960 -0.000 0.000 0.299 551 G HA3 0.168 4.128 3.960 -0.000 0.000 0.299 551 G C -0.249 174.624 174.900 -0.045 0.000 1.242 551 G CA -0.501 44.563 45.100 -0.061 0.000 0.859 551 G HN 0.314 nan 8.290 nan 0.000 0.481 552 Y N -0.212 120.154 120.300 0.109 0.000 2.274 552 Y HA 0.090 4.640 4.550 -0.000 0.000 0.290 552 Y C 2.384 178.230 175.900 -0.090 0.000 1.145 552 Y CA 1.122 59.221 58.100 -0.001 0.000 1.203 552 Y CB 0.053 38.494 38.460 -0.032 0.000 0.984 552 Y HN 0.053 nan 8.280 nan 0.000 0.533 553 L N -1.387 119.872 121.223 0.061 0.000 2.769 553 L HA 0.192 4.532 4.340 -0.000 0.000 0.240 553 L C 0.005 176.856 176.870 -0.030 0.000 1.163 553 L CA 0.148 54.953 54.840 -0.057 0.000 0.962 553 L CB 0.330 42.288 42.059 -0.168 0.000 1.258 553 L HN -0.160 nan 8.230 nan 0.000 0.513 554 S N -0.006 115.702 115.700 0.013 0.000 2.356 554 S HA 0.512 4.982 4.470 -0.000 0.000 0.171 554 S C 0.600 175.202 174.600 0.004 0.000 1.399 554 S CA 0.149 58.353 58.200 0.008 0.000 1.225 554 S CB 1.295 64.517 63.200 0.038 0.000 1.271 554 S HN 0.461 nan 8.310 nan 0.000 0.427 555 G N 0.959 109.756 108.800 -0.005 0.000 2.218 555 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 555 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 555 G C 0.801 175.698 174.900 -0.005 0.000 0.994 555 G CA 0.052 45.148 45.100 -0.007 0.000 0.637 555 G HN 1.810 nan 8.290 nan 0.000 0.505 556 G N -1.136 107.668 108.800 0.006 0.000 2.295 556 G HA2 0.177 4.137 3.960 -0.000 0.000 0.287 556 G HA3 0.177 4.137 3.960 -0.000 0.000 0.287 556 G C 0.648 175.565 174.900 0.028 0.000 1.055 556 G CA 1.311 46.432 45.100 0.036 0.000 0.922 556 G HN 2.275 nan 8.290 nan 0.000 0.503 557 V N -3.944 115.942 119.914 -0.046 0.000 3.001 557 V HA 0.805 4.925 4.120 -0.000 0.000 0.314 557 V C 0.395 176.273 176.094 -0.360 0.000 1.099 557 V CA -1.472 60.760 62.300 -0.114 0.000 0.989 557 V CB 2.006 33.780 31.823 -0.082 0.000 1.040 557 V HN 0.383 nan 8.190 nan 0.000 0.434 558 E N 3.615 123.622 120.200 -0.322 0.000 2.417 558 E HA 0.244 4.594 4.350 -0.000 0.000 0.261 558 E C -2.195 174.208 176.600 -0.330 0.000 1.000 558 E CA -1.487 54.638 56.400 -0.459 0.000 0.919 558 E CB 0.832 30.445 29.700 -0.145 0.000 0.955 558 E HN 0.708 nan 8.360 nan 0.000 0.455 559 P HA 0.003 nan 4.420 nan 0.000 0.272 559 P C -0.597 176.654 177.300 -0.081 0.000 1.223 559 P CA 0.340 63.339 63.100 -0.167 0.000 0.784 559 P CB 0.906 32.534 31.700 -0.121 0.000 0.923 560 E N -0.107 120.062 120.200 -0.051 0.000 2.508 560 E HA 0.073 4.423 4.350 -0.000 0.000 0.217 560 E C 0.521 177.119 176.600 -0.003 0.000 0.896 560 E CA 0.031 56.419 56.400 -0.020 0.000 1.118 560 E CB 1.008 30.694 29.700 -0.024 0.000 1.133 560 E HN 0.486 nan 8.360 nan 0.000 0.526 561 Q N 1.504 121.294 119.800 -0.017 0.000 2.315 561 Q HA 0.239 4.579 4.340 -0.000 0.000 0.273 561 Q C -1.026 174.946 176.000 -0.046 0.000 1.053 561 Q CA -0.530 55.267 55.803 -0.011 0.000 0.817 561 Q CB 2.046 30.779 28.738 -0.009 0.000 1.326 561 Q HN 0.080 nan 8.270 nan 0.000 0.423 562 S N 1.741 117.403 115.700 -0.064 0.000 2.549 562 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 562 S C 0.082 174.591 174.600 -0.151 0.000 1.321 562 S CA -0.470 57.616 58.200 -0.189 0.000 1.054 562 S CB 1.505 64.541 63.200 -0.273 0.000 0.899 562 S HN 0.487 nan 8.310 nan 0.000 0.497 563 S N 4.067 119.660 115.700 -0.177 0.000 2.545 563 S HA 0.408 4.878 4.470 -0.000 0.000 0.275 563 S C -2.075 172.472 174.600 -0.088 0.000 1.299 563 S CA -1.632 56.520 58.200 -0.081 0.000 1.048 563 S CB 0.037 63.228 63.200 -0.015 0.000 0.938 563 S HN 0.748 nan 8.310 nan 0.000 0.496 564 P HA 0.132 nan 4.420 nan 0.000 0.269 564 P C -0.383 176.931 177.300 0.024 0.000 1.217 564 P CA -0.012 63.088 63.100 0.000 0.000 0.783 564 P CB 0.382 32.094 31.700 0.020 0.000 0.898 565 T N -2.279 112.297 114.554 0.037 0.000 2.812 565 T HA 0.529 4.879 4.350 -0.000 0.000 0.294 565 T C -0.913 173.816 174.700 0.048 0.000 1.159 565 T CA -0.773 61.365 62.100 0.062 0.000 1.008 565 T CB 1.044 69.953 68.868 0.069 0.000 1.289 565 T HN 0.120 nan 8.240 nan 0.000 0.514 566 V N 2.018 121.952 119.914 0.034 0.000 2.407 566 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 566 V C -0.234 175.842 176.094 -0.030 0.000 1.018 566 V CA -0.726 61.562 62.300 -0.021 0.000 0.842 566 V CB 1.565 33.341 31.823 -0.079 0.000 0.996 566 V HN 0.941 nan 8.190 nan 0.000 0.426 567 E N 4.876 125.071 120.200 -0.007 0.000 2.222 567 E HA 0.073 4.423 4.350 -0.000 0.000 0.312 567 E C 0.862 177.467 176.600 0.008 0.000 1.263 567 E CA -0.235 56.178 56.400 0.021 0.000 1.356 567 E CB 0.570 30.298 29.700 0.046 0.000 1.180 567 E HN 0.410 nan 8.360 nan 0.000 0.494 568 L N 0.899 122.071 121.223 -0.085 0.000 2.079 568 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 568 L C 0.920 177.921 176.870 0.219 0.000 1.081 568 L CA 1.420 56.157 54.840 -0.172 0.000 0.752 568 L CB -0.849 40.942 42.059 -0.448 0.000 0.896 568 L HN 0.470 nan 8.230 nan 0.000 0.433 569 D N -1.308 119.184 120.400 0.154 0.000 2.746 569 D HA -0.234 4.406 4.640 -0.000 0.000 0.236 569 D C -0.070 176.381 176.300 0.252 0.000 1.129 569 D CA 0.259 54.376 54.000 0.195 0.000 0.691 569 D CB -1.175 39.765 40.800 0.233 0.000 1.077 569 D HN 0.089 nan 8.370 nan 0.000 0.432 570 L N 1.332 122.630 121.223 0.126 0.000 2.433 570 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 570 L C 0.811 177.746 176.870 0.108 0.000 1.120 570 L CA -0.009 54.782 54.840 -0.082 0.000 0.879 570 L CB -0.111 41.869 42.059 -0.131 0.000 1.232 570 L HN 0.356 nan 8.230 nan 0.000 0.454 571 L N 5.696 127.016 121.223 0.162 0.000 3.737 571 L HA -0.315 4.025 4.340 -0.000 0.000 0.418 571 L C 1.219 178.092 176.870 0.005 0.000 1.216 571 L CA 0.623 55.546 54.840 0.139 0.000 0.915 571 L CB -2.257 39.860 42.059 0.096 0.000 1.834 571 L HN 1.065 nan 8.230 nan 0.000 0.943 572 G N -2.793 105.980 108.800 -0.045 0.000 2.175 572 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 572 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 572 G C -0.234 174.380 174.900 -0.476 0.000 0.982 572 G CA 0.108 45.030 45.100 -0.297 0.000 0.641 572 G HN 0.400 nan 8.290 nan 0.000 0.527 573 W N 0.853 122.175 121.300 0.037 0.000 2.570 573 W HA 0.773 5.433 4.660 -0.000 0.000 0.337 573 W C 0.465 176.984 176.519 -0.000 0.000 1.067 573 W CA -0.671 56.681 57.345 0.012 0.000 1.229 573 W CB 1.718 31.166 29.460 -0.021 0.000 1.355 573 W HN 0.114 nan 8.180 nan 0.000 0.555 574 S N 0.779 116.651 115.700 0.286 0.000 2.718 574 S HA 0.866 5.336 4.470 -0.000 0.000 0.300 574 S C -0.570 174.124 174.600 0.157 0.000 1.117 574 S CA -0.753 57.540 58.200 0.154 0.000 1.002 574 S CB 1.413 64.699 63.200 0.143 0.000 1.092 574 S HN 0.511 nan 8.310 nan 0.000 0.542 575 A N 0.816 123.690 122.820 0.090 0.000 2.365 575 A HA 0.830 5.151 4.320 -0.000 0.000 0.318 575 A C -0.322 177.382 177.584 0.199 0.000 1.091 575 A CA -0.571 51.544 52.037 0.129 0.000 0.763 575 A CB 1.658 20.665 19.000 0.012 0.000 1.248 575 A HN 0.608 nan 8.150 nan 0.000 0.442 576 T N -0.085 114.643 114.554 0.290 0.000 2.868 576 T HA 0.529 4.879 4.350 -0.000 0.000 0.306 576 T C -1.945 172.944 174.700 0.315 0.000 1.224 576 T CA -0.239 62.027 62.100 0.276 0.000 1.012 576 T CB 1.022 70.008 68.868 0.198 0.000 1.221 576 T HN 0.635 nan 8.240 nan 0.000 0.499 577 Y N 1.879 122.223 120.300 0.072 0.000 2.342 577 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 577 Y C 0.104 175.991 175.900 -0.021 0.000 1.067 577 Y CA -0.387 57.650 58.100 -0.104 0.000 1.128 577 Y CB 1.497 39.795 38.460 -0.269 0.000 1.200 577 Y HN 0.499 nan 8.280 nan 0.000 0.464 578 S N 5.404 120.626 115.700 -0.797 0.000 2.438 578 S HA 0.309 4.779 4.470 -0.000 0.000 0.316 578 S C 0.476 174.649 174.600 -0.711 0.000 1.084 578 S CA -0.671 57.215 58.200 -0.522 0.000 1.107 578 S CB 0.675 63.665 63.200 -0.351 0.000 0.981 578 S HN 0.922 nan 8.310 nan 0.000 0.466 579 K N 2.865 123.112 120.400 -0.255 0.000 2.155 579 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 579 K C 0.751 177.292 176.600 -0.099 0.000 1.052 579 K CA 1.145 57.390 56.287 -0.071 0.000 0.948 579 K CB 0.013 32.544 32.500 0.052 0.000 0.728 579 K HN 0.581 nan 8.250 nan 0.000 0.448 580 D N 0.819 121.149 120.400 -0.116 0.000 2.144 580 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 580 D C 1.636 177.868 176.300 -0.113 0.000 0.978 580 D CA 1.060 55.005 54.000 -0.093 0.000 0.833 580 D CB 0.138 40.888 40.800 -0.084 0.000 0.961 580 D HN 0.159 nan 8.370 nan 0.000 0.470 581 L N -1.300 119.819 121.223 -0.174 0.000 2.556 581 L HA 0.256 4.596 4.340 -0.000 0.000 0.226 581 L C 1.445 178.217 176.870 -0.163 0.000 1.089 581 L CA 0.375 55.121 54.840 -0.156 0.000 0.864 581 L CB 0.276 42.236 42.059 -0.165 0.000 1.067 581 L HN 0.092 nan 8.230 nan 0.000 0.477 582 G N 2.018 110.664 108.800 -0.256 0.000 2.148 582 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 582 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 582 G C 0.221 175.021 174.900 -0.166 0.000 0.981 582 G CA 0.773 45.784 45.100 -0.148 0.000 0.670 582 G HN 0.485 nan 8.290 nan 0.000 0.528 583 I N -4.286 116.055 120.570 -0.381 0.000 3.145 583 I HA 0.816 4.986 4.170 -0.000 0.000 0.313 583 I C 0.003 175.949 176.117 -0.286 0.000 1.122 583 I CA -2.265 58.935 61.300 -0.167 0.000 0.987 583 I CB 1.187 39.175 38.000 -0.021 0.000 1.236 583 I HN -0.115 nan 8.210 nan 0.000 0.453 584 Y N 2.007 122.335 120.300 0.047 0.000 2.336 584 Y HA 0.536 5.086 4.550 -0.000 0.000 0.331 584 Y C 0.561 176.471 175.900 0.017 0.000 1.211 584 Y CA -0.164 57.985 58.100 0.082 0.000 1.346 584 Y CB 1.387 39.922 38.460 0.124 0.000 1.271 584 Y HN 0.466 nan 8.280 nan 0.000 0.538 585 V N 0.576 120.609 119.914 0.198 0.000 3.074 585 V HA 0.748 4.868 4.120 -0.000 0.000 0.314 585 V C -2.906 173.306 176.094 0.196 0.000 1.117 585 V CA -2.997 59.388 62.300 0.141 0.000 1.014 585 V CB 2.112 34.001 31.823 0.110 0.000 1.057 585 V HN 0.547 nan 8.190 nan 0.000 0.438 586 P HA 0.550 nan 4.420 nan 0.000 0.284 586 P C -1.215 176.324 177.300 0.398 0.000 1.258 586 P CA -0.466 62.702 63.100 0.113 0.000 0.824 586 P CB 2.028 33.482 31.700 -0.410 0.000 1.038 587 V N 3.076 123.259 119.914 0.448 0.000 2.686 587 V HA 0.160 4.280 4.120 -0.000 0.000 0.306 587 V C 0.227 176.602 176.094 0.469 0.000 1.065 587 V CA -1.007 61.545 62.300 0.421 0.000 0.894 587 V CB 1.894 33.807 31.823 0.151 0.000 1.004 587 V HN 0.463 nan 8.190 nan 0.000 0.424 588 L N 3.948 125.409 121.223 0.397 0.000 2.490 588 L HA 0.174 4.514 4.340 -0.000 0.000 0.274 588 L C 0.788 177.672 176.870 0.024 0.000 1.201 588 L CA 0.663 55.506 54.840 0.005 0.000 0.869 588 L CB 0.252 42.200 42.059 -0.186 0.000 1.123 588 L HN 0.856 nan 8.230 nan 0.000 0.484 589 D N 4.158 124.525 120.400 -0.055 0.000 2.658 589 D HA -0.147 4.493 4.640 -0.000 0.000 0.230 589 D C 0.924 177.242 176.300 0.029 0.000 1.118 589 D CA 0.464 54.470 54.000 0.009 0.000 0.848 589 D CB 0.708 41.497 40.800 -0.018 0.000 1.160 589 D HN 0.703 nan 8.370 nan 0.000 0.497 590 K N 3.382 123.816 120.400 0.057 0.000 2.034 590 K HA -0.237 4.083 4.320 -0.000 0.000 0.214 590 K C 1.682 178.321 176.600 0.065 0.000 1.051 590 K CA 1.728 58.032 56.287 0.027 0.000 0.931 590 K CB 0.092 32.584 32.500 -0.013 0.000 0.715 590 K HN 0.559 nan 8.250 nan 0.000 0.446 591 E N -0.226 119.994 120.200 0.034 0.000 2.110 591 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 591 E C 2.170 178.821 176.600 0.085 0.000 0.988 591 E CA 1.023 57.452 56.400 0.049 0.000 0.804 591 E CB -0.032 29.684 29.700 0.026 0.000 0.745 591 E HN 0.328 nan 8.360 nan 0.000 0.458 592 R N 0.383 120.918 120.500 0.058 0.000 2.090 592 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 592 R C 2.482 178.831 176.300 0.082 0.000 1.110 592 R CA 0.641 56.776 56.100 0.058 0.000 0.973 592 R CB -0.390 29.918 30.300 0.012 0.000 0.869 592 R HN 0.101 nan 8.270 nan 0.000 0.440 593 L N 0.329 121.584 121.223 0.053 0.000 2.017 593 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 593 L C 1.784 178.616 176.870 -0.062 0.000 1.073 593 L CA 1.774 56.607 54.840 -0.013 0.000 0.745 593 L CB -0.411 41.597 42.059 -0.086 0.000 0.894 593 L HN -0.025 nan 8.230 nan 0.000 0.432 594 F N -1.648 118.258 119.950 -0.073 0.000 2.456 594 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 594 F C 2.661 178.463 175.800 0.004 0.000 1.104 594 F CA 1.168 59.135 58.000 -0.056 0.000 1.435 594 F CB -0.909 38.029 39.000 -0.104 0.000 1.078 594 F HN 0.296 nan 8.300 nan 0.000 0.546 595 C N -0.771 118.634 119.300 0.174 0.000 2.466 595 C HA -0.110 4.350 4.460 -0.000 0.000 0.278 595 C C 2.971 178.050 174.990 0.149 0.000 1.288 595 C CA 1.619 60.732 59.018 0.158 0.000 1.722 595 C CB -1.149 26.666 27.740 0.125 0.000 2.017 595 C HN 0.388 nan 8.230 nan 0.000 0.488 596 S N 0.928 116.698 115.700 0.117 0.000 2.371 596 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 596 S C 2.185 176.818 174.600 0.056 0.000 1.029 596 S CA 1.220 59.480 58.200 0.100 0.000 0.978 596 S CB -0.541 62.781 63.200 0.203 0.000 0.833 596 S HN 0.807 nan 8.310 nan 0.000 0.466 597 A N 1.704 124.533 122.820 0.014 0.000 1.933 597 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 597 A C 2.333 179.892 177.584 -0.042 0.000 1.175 597 A CA 1.686 53.699 52.037 -0.039 0.000 0.628 597 A CB -1.006 17.884 19.000 -0.184 0.000 0.814 597 A HN 0.513 nan 8.150 nan 0.000 0.444 598 A N -2.093 120.709 122.820 -0.029 0.000 1.930 598 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 598 A C 0.630 177.962 177.584 -0.419 0.000 1.175 598 A CA 0.910 52.848 52.037 -0.165 0.000 0.627 598 A CB -0.316 18.652 19.000 -0.053 0.000 0.815 598 A HN 0.528 nan 8.150 nan 0.000 0.443 599 Y N -0.428 119.879 120.300 0.011 0.000 2.681 599 Y HA 0.365 4.915 4.550 -0.000 0.000 0.347 599 Y C -2.629 173.184 175.900 -0.144 0.000 1.029 599 Y CA -2.646 55.447 58.100 -0.011 0.000 1.279 599 Y CB 0.970 39.468 38.460 0.062 0.000 1.096 599 Y HN 0.093 nan 8.280 nan 0.000 0.580 600 P HA 0.009 nan 4.420 nan 0.000 0.267 600 P C 0.013 177.131 177.300 -0.303 0.000 1.201 600 P CA -0.040 62.977 63.100 -0.139 0.000 0.775 600 P CB 1.017 32.660 31.700 -0.094 0.000 0.854 601 K N 0.812 120.981 120.400 -0.386 0.000 2.318 601 K HA 0.370 4.690 4.320 -0.000 0.000 0.243 601 K C 1.197 177.697 176.600 -0.166 0.000 1.047 601 K CA -0.510 55.436 56.287 -0.569 0.000 0.937 601 K CB -0.142 32.115 32.500 -0.406 0.000 1.225 601 K HN 0.591 nan 8.250 nan 0.000 0.506 613 G N 1.527 110.248 108.800 -0.132 0.000 3.530 613 G HA2 0.228 4.188 3.960 -0.000 0.000 0.269 613 G HA3 0.228 4.188 3.960 -0.000 0.000 0.269 613 G C 0.925 175.538 174.900 -0.478 0.000 1.314 613 G CA 0.353 45.304 45.100 -0.248 0.000 1.441 613 G HN 0.443 nan 8.290 nan 0.000 0.595 614 I N 0.555 120.937 120.570 -0.313 0.000 2.248 614 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 614 I C 2.436 178.496 176.117 -0.095 0.000 1.107 614 I CA 1.193 62.349 61.300 -0.240 0.000 1.373 614 I CB -0.566 37.465 38.000 0.051 0.000 1.055 614 I HN 0.242 nan 8.210 nan 0.000 0.418 615 E N 0.571 120.721 120.200 -0.084 0.000 2.070 615 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 615 E C 2.212 178.796 176.600 -0.028 0.000 1.004 615 E CA 1.200 57.575 56.400 -0.041 0.000 0.805 615 E CB -0.263 29.403 29.700 -0.058 0.000 0.744 615 E HN 0.462 nan 8.360 nan 0.000 0.451 616 Q N -0.269 119.466 119.800 -0.107 0.000 2.079 616 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 616 Q C 2.252 178.185 176.000 -0.111 0.000 0.974 616 Q CA 1.405 57.154 55.803 -0.089 0.000 0.840 616 Q CB -0.476 28.224 28.738 -0.062 0.000 0.898 616 Q HN 0.328 nan 8.270 nan 0.000 0.430 617 A N 0.118 122.755 122.820 -0.304 0.000 1.902 617 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 617 A C 1.893 179.470 177.584 -0.012 0.000 1.181 617 A CA 1.279 53.114 52.037 -0.336 0.000 0.623 617 A CB -0.888 17.489 19.000 -1.038 0.000 0.818 617 A HN 0.328 nan 8.150 nan 0.000 0.443 618 Y N 0.111 120.407 120.300 -0.006 0.000 2.293 618 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 618 Y C 2.372 178.277 175.900 0.008 0.000 1.137 618 Y CA 1.789 59.955 58.100 0.110 0.000 1.202 618 Y CB -0.094 38.416 38.460 0.084 0.000 0.990 618 Y HN 0.268 nan 8.280 nan 0.000 0.537 619 K N -0.715 119.745 120.400 0.101 0.000 2.148 619 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 619 K C 1.939 178.558 176.600 0.032 0.000 1.050 619 K CA 1.220 57.493 56.287 -0.023 0.000 0.942 619 K CB -0.241 32.305 32.500 0.077 0.000 0.724 619 K HN 0.126 nan 8.250 nan 0.000 0.446 620 V N 0.705 120.668 119.914 0.082 0.000 2.358 620 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 620 V C 2.200 178.304 176.094 0.016 0.000 1.047 620 V CA 1.397 63.746 62.300 0.082 0.000 1.035 620 V CB -0.245 31.612 31.823 0.056 0.000 0.658 620 V HN 0.067 nan 8.190 nan 0.000 0.452 621 V N 0.169 120.087 119.914 0.007 0.000 2.295 621 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 621 V C 2.573 178.656 176.094 -0.018 0.000 1.049 621 V CA 2.545 64.826 62.300 -0.033 0.000 1.024 621 V CB -0.776 31.055 31.823 0.014 0.000 0.648 621 V HN 0.528 nan 8.190 nan 0.000 0.447 622 R N -0.887 119.586 120.500 -0.046 0.000 2.080 622 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 622 R C 2.356 178.595 176.300 -0.102 0.000 1.137 622 R CA 2.301 58.327 56.100 -0.123 0.000 0.943 622 R CB -0.516 29.579 30.300 -0.342 0.000 0.846 622 R HN 0.586 nan 8.270 nan 0.000 0.431 623 Y N 0.421 120.741 120.300 0.034 0.000 2.163 623 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 623 Y C 2.645 178.536 175.900 -0.014 0.000 1.136 623 Y CA 0.716 58.823 58.100 0.012 0.000 1.147 623 Y CB 0.082 38.542 38.460 0.000 0.000 0.987 623 Y HN 0.150 nan 8.280 nan 0.000 0.509 624 E N 0.227 120.474 120.200 0.079 0.000 2.106 624 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 624 E C 2.376 178.916 176.600 -0.100 0.000 0.984 624 E CA 1.023 57.387 56.400 -0.059 0.000 0.806 624 E CB -0.468 29.116 29.700 -0.194 0.000 0.750 624 E HN 0.464 nan 8.360 nan 0.000 0.458 625 A N 1.328 124.103 122.820 -0.075 0.000 1.933 625 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 625 A C 2.377 180.030 177.584 0.116 0.000 1.175 625 A CA 0.919 52.973 52.037 0.029 0.000 0.628 625 A CB -0.688 18.477 19.000 0.275 0.000 0.814 625 A HN 0.165 nan 8.150 nan 0.000 0.444 626 L N -1.052 120.262 121.223 0.153 0.000 2.046 626 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 626 L C 2.942 179.853 176.870 0.068 0.000 1.077 626 L CA 1.486 56.385 54.840 0.099 0.000 0.747 626 L CB -0.382 41.757 42.059 0.133 0.000 0.896 626 L HN 0.401 nan 8.230 nan 0.000 0.432 627 R N -0.627 119.937 120.500 0.107 0.000 2.061 627 R HA -0.179 4.161 4.340 -0.000 0.000 0.230 627 R C 2.171 178.645 176.300 0.290 0.000 1.140 627 R CA 1.170 57.372 56.100 0.170 0.000 0.940 627 R CB -0.708 29.667 30.300 0.125 0.000 0.839 627 R HN 0.127 nan 8.270 nan 0.000 0.429 628 L N 0.841 122.159 121.223 0.158 0.000 2.089 628 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 628 L C 2.050 179.198 176.870 0.463 0.000 1.079 628 L CA 1.545 56.489 54.840 0.174 0.000 0.758 628 L CB -0.308 41.696 42.059 -0.091 0.000 0.891 628 L HN 0.010 nan 8.230 nan 0.000 0.433 629 V N -1.403 118.757 119.914 0.410 0.000 3.306 629 V HA 0.206 4.326 4.120 -0.000 0.000 0.264 629 V C 1.682 178.085 176.094 0.516 0.000 1.149 629 V CA 1.223 63.836 62.300 0.521 0.000 1.143 629 V CB 0.373 32.186 31.823 -0.017 0.000 0.767 629 V HN 0.736 nan 8.190 nan 0.000 0.476 630 G N -2.117 106.909 108.800 0.376 0.000 3.990 630 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.213 630 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.213 630 G C 1.124 175.959 174.900 -0.108 0.000 0.849 630 G CA 0.287 45.431 45.100 0.073 0.000 0.857 630 G HN 0.487 nan 8.290 nan 0.000 0.484 631 G N 1.657 110.498 108.800 0.068 0.000 2.450 631 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 631 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 631 G C 1.678 176.672 174.900 0.157 0.000 1.130 631 G CA 1.575 46.739 45.100 0.106 0.000 0.760 631 G HN 0.743 nan 8.290 nan 0.000 0.557 632 W N 0.853 122.279 121.300 0.209 0.000 2.341 632 W HA -0.111 4.549 4.660 -0.000 0.000 0.283 632 W C 1.335 178.003 176.519 0.248 0.000 1.215 632 W CA 0.783 58.287 57.345 0.264 0.000 1.211 632 W CB -0.800 28.774 29.460 0.191 0.000 1.131 632 W HN 0.344 nan 8.180 nan 0.000 0.552 633 N N -0.707 117.623 118.700 -0.616 0.000 2.336 633 N HA -0.067 4.673 4.740 -0.000 0.000 0.189 633 N C -0.951 174.122 175.510 -0.728 0.000 1.113 633 N CA -0.004 52.561 53.050 -0.807 0.000 0.858 633 N CB -0.054 37.581 38.487 -1.422 0.000 0.970 633 N HN 0.005 nan 8.380 nan 0.000 0.471 634 Y N 0.051 120.313 120.300 -0.063 0.000 2.376 634 Y HA 0.368 4.918 4.550 -0.000 0.000 0.326 634 Y C -1.785 174.160 175.900 0.075 0.000 0.970 634 Y CA -2.017 56.107 58.100 0.040 0.000 1.248 634 Y CB 1.902 40.438 38.460 0.127 0.000 1.117 634 Y HN 0.006 nan 8.280 nan 0.000 0.476 635 P HA -0.306 nan 4.420 nan 0.000 0.214 635 P C 1.641 179.026 177.300 0.143 0.000 1.164 635 P CA 1.884 65.053 63.100 0.114 0.000 0.942 635 P CB 0.416 32.168 31.700 0.087 0.000 0.791 636 L N -2.142 119.185 121.223 0.173 0.000 1.994 636 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 636 L C 2.500 179.453 176.870 0.137 0.000 1.071 636 L CA 1.229 56.165 54.840 0.159 0.000 0.745 636 L CB -1.093 41.073 42.059 0.179 0.000 0.892 636 L HN 0.022 nan 8.230 nan 0.000 0.431 637 L N 0.731 122.049 121.223 0.158 0.000 1.989 637 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 637 L C 2.181 179.096 176.870 0.075 0.000 1.071 637 L CA 2.216 57.092 54.840 0.060 0.000 0.749 637 L CB -0.959 41.065 42.059 -0.059 0.000 0.890 637 L HN 0.298 nan 8.230 nan 0.000 0.431 638 N N -0.327 118.456 118.700 0.139 0.000 2.018 638 N HA -0.301 4.439 4.740 -0.000 0.000 0.196 638 N C 1.949 177.535 175.510 0.127 0.000 1.043 638 N CA 2.009 55.159 53.050 0.167 0.000 0.856 638 N CB -0.268 38.368 38.487 0.249 0.000 1.042 638 N HN 0.258 nan 8.380 nan 0.000 0.423 639 K N 0.135 120.603 120.400 0.113 0.000 2.103 639 K HA 0.061 4.381 4.320 -0.000 0.000 0.207 639 K C 1.781 178.402 176.600 0.036 0.000 1.048 639 K CA 1.417 57.753 56.287 0.082 0.000 0.930 639 K CB -0.800 31.748 32.500 0.080 0.000 0.716 639 K HN 0.320 nan 8.250 nan 0.000 0.444 640 A N -0.089 122.744 122.820 0.022 0.000 1.877 640 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 640 A C 2.510 179.994 177.584 -0.167 0.000 1.186 640 A CA 1.748 53.758 52.037 -0.044 0.000 0.620 640 A CB -1.131 17.857 19.000 -0.021 0.000 0.822 640 A HN 0.506 nan 8.150 nan 0.000 0.443 641 C N -0.707 118.520 119.300 -0.123 0.000 2.425 641 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 641 C C 2.673 177.581 174.990 -0.137 0.000 1.280 641 C CA 1.244 60.154 59.018 -0.181 0.000 1.744 641 C CB -1.018 26.768 27.740 0.077 0.000 1.989 641 C HN 0.713 nan 8.230 nan 0.000 0.491 642 K N 1.052 121.429 120.400 -0.039 0.000 2.026 642 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 642 K C 1.784 178.356 176.600 -0.047 0.000 1.048 642 K CA 1.640 57.922 56.287 -0.009 0.000 0.929 642 K CB -0.162 32.366 32.500 0.047 0.000 0.713 642 K HN 0.426 nan 8.250 nan 0.000 0.439 643 N N 1.133 119.792 118.700 -0.068 0.000 2.106 643 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 643 N C 1.510 176.939 175.510 -0.134 0.000 1.029 643 N CA 1.191 54.198 53.050 -0.073 0.000 0.848 643 N CB -0.691 37.767 38.487 -0.049 0.000 1.007 643 N HN 0.211 nan 8.380 nan 0.000 0.423 644 N N 1.066 119.603 118.700 -0.272 0.000 2.149 644 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 644 N C 1.533 176.914 175.510 -0.215 0.000 1.019 644 N CA 1.203 54.022 53.050 -0.384 0.000 0.857 644 N CB -0.362 37.554 38.487 -0.952 0.000 0.997 644 N HN 0.274 nan 8.380 nan 0.000 0.426 645 A N 0.107 122.833 122.820 -0.155 0.000 1.897 645 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 645 A C 2.365 179.962 177.584 0.022 0.000 1.181 645 A CA 1.614 53.683 52.037 0.053 0.000 0.620 645 A CB -1.125 17.924 19.000 0.081 0.000 0.821 645 A HN 0.330 nan 8.150 nan 0.000 0.443 646 G N -0.141 108.651 108.800 -0.013 0.000 2.446 646 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.217 646 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.217 646 G C 1.770 176.674 174.900 0.006 0.000 1.168 646 G CA 1.645 46.743 45.100 -0.002 0.000 0.771 646 G HN 0.793 nan 8.290 nan 0.000 0.551 647 A N 1.291 124.106 122.820 -0.008 0.000 1.883 647 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 647 A C 2.869 180.475 177.584 0.036 0.000 1.186 647 A CA 2.590 54.629 52.037 0.002 0.000 0.624 647 A CB -0.982 18.000 19.000 -0.030 0.000 0.822 647 A HN 0.930 nan 8.150 nan 0.000 0.444 648 A N -0.402 122.441 122.820 0.038 0.000 1.883 648 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 648 A C 2.271 179.894 177.584 0.066 0.000 1.186 648 A CA 1.689 53.760 52.037 0.058 0.000 0.624 648 A CB -0.546 18.495 19.000 0.069 0.000 0.822 648 A HN 0.546 nan 8.150 nan 0.000 0.444 649 R N -0.919 119.612 120.500 0.051 0.000 2.091 649 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 649 R C 2.513 178.843 176.300 0.050 0.000 1.136 649 R CA 1.684 57.813 56.100 0.048 0.000 0.959 649 R CB -0.327 29.993 30.300 0.034 0.000 0.856 649 R HN 0.524 nan 8.270 nan 0.000 0.437 650 R N -0.834 119.696 120.500 0.050 0.000 2.073 650 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 650 R C 2.289 178.623 176.300 0.057 0.000 1.134 650 R CA 1.703 57.831 56.100 0.045 0.000 0.952 650 R CB -0.507 29.817 30.300 0.040 0.000 0.850 650 R HN 0.332 nan 8.270 nan 0.000 0.433 651 H N 0.809 119.870 119.070 -0.014 0.000 2.352 651 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 651 H C 1.791 177.106 175.328 -0.022 0.000 1.097 651 H CA 1.712 57.746 56.048 -0.023 0.000 1.311 651 H CB -0.158 29.581 29.762 -0.038 0.000 1.377 651 H HN 0.077 nan 8.280 nan 0.000 0.504 652 L N -0.096 121.120 121.223 -0.011 0.000 2.275 652 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 652 L C 2.387 179.267 176.870 0.016 0.000 1.119 652 L CA 1.236 56.055 54.840 -0.035 0.000 0.790 652 L CB -0.253 41.816 42.059 0.015 0.000 0.919 652 L HN 0.336 nan 8.230 nan 0.000 0.443 653 E N 1.235 121.438 120.200 0.004 0.000 2.051 653 E HA -0.102 4.248 4.350 -0.000 0.000 0.189 653 E C 1.744 178.331 176.600 -0.023 0.000 0.979 653 E CA 1.175 57.581 56.400 0.009 0.000 0.803 653 E CB -0.043 29.665 29.700 0.013 0.000 0.761 653 E HN 0.273 nan 8.360 nan 0.000 0.451 654 A N 0.117 122.900 122.820 -0.061 0.000 2.324 654 A HA 0.102 4.422 4.320 -0.000 0.000 0.240 654 A C 0.738 178.249 177.584 -0.122 0.000 1.347 654 A CA 0.240 52.230 52.037 -0.078 0.000 1.036 654 A CB -0.154 18.802 19.000 -0.074 0.000 0.917 654 A HN 0.031 nan 8.150 nan 0.000 0.519 655 K N -2.061 118.281 120.400 -0.097 0.000 2.608 655 K HA 0.166 4.486 4.320 -0.000 0.000 0.209 655 K C 0.981 177.584 176.600 0.006 0.000 1.369 655 K CA 0.606 56.844 56.287 -0.082 0.000 1.029 655 K CB 0.311 32.714 32.500 -0.161 0.000 1.139 655 K HN 0.828 nan 8.250 nan 0.000 0.623 656 G N 2.255 111.064 108.800 0.016 0.000 2.166 656 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 656 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 656 G C 0.092 175.025 174.900 0.056 0.000 0.986 656 G CA 0.462 45.578 45.100 0.026 0.000 0.683 656 G HN 0.307 nan 8.290 nan 0.000 0.527 657 F N 2.762 122.677 119.950 -0.058 0.000 2.608 657 F HA 0.395 4.922 4.527 -0.000 0.000 0.380 657 F C -0.569 175.213 175.800 -0.032 0.000 1.083 657 F CA -1.232 56.735 58.000 -0.055 0.000 1.266 657 F CB 0.744 39.692 39.000 -0.087 0.000 1.076 657 F HN 0.015 nan 8.300 nan 0.000 0.574 658 P HA -0.025 nan 4.420 nan 0.000 0.237 658 P C 1.213 178.313 177.300 -0.333 0.000 1.723 658 P CA 0.099 62.963 63.100 -0.394 0.000 0.882 658 P CB 0.069 31.558 31.700 -0.352 0.000 1.810 659 L N 1.440 122.608 121.223 -0.091 0.000 2.054 659 L HA -0.252 4.088 4.340 -0.000 0.000 0.220 659 L C 1.792 178.771 176.870 0.182 0.000 1.081 659 L CA 2.154 57.126 54.840 0.220 0.000 0.780 659 L CB -0.954 41.269 42.059 0.274 0.000 0.893 659 L HN 0.066 nan 8.230 nan 0.000 0.438 660 D N -0.630 119.819 120.400 0.081 0.000 2.149 660 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 660 D C 1.970 178.308 176.300 0.062 0.000 0.990 660 D CA 1.725 55.764 54.000 0.065 0.000 0.839 660 D CB 0.001 40.818 40.800 0.028 0.000 0.948 660 D HN 0.632 nan 8.370 nan 0.000 0.460 661 E N -0.587 119.633 120.200 0.033 0.000 2.299 661 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 661 E C 1.716 178.356 176.600 0.067 0.000 0.998 661 E CA -0.030 56.383 56.400 0.022 0.000 0.851 661 E CB -0.017 29.669 29.700 -0.023 0.000 0.795 661 E HN 0.220 nan 8.360 nan 0.000 0.492 662 F N 1.240 121.162 119.950 -0.046 0.000 2.128 662 F HA -0.038 4.489 4.527 -0.000 0.000 0.295 662 F C 1.653 177.485 175.800 0.054 0.000 1.100 662 F CA 1.108 59.117 58.000 0.015 0.000 1.260 662 F CB 0.051 39.117 39.000 0.110 0.000 1.009 662 F HN -0.129 nan 8.300 nan 0.000 0.476 663 L N 0.297 121.594 121.223 0.123 0.000 2.650 663 L HA 0.073 4.413 4.340 -0.000 0.000 0.235 663 L C 2.443 179.386 176.870 0.122 0.000 1.149 663 L CA 0.355 55.243 54.840 0.080 0.000 0.887 663 L CB -1.258 40.886 42.059 0.142 0.000 1.021 663 L HN 0.254 nan 8.230 nan 0.000 0.441 664 A N 0.732 123.574 122.820 0.036 0.000 1.896 664 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 664 A C 1.761 179.346 177.584 0.003 0.000 1.206 664 A CA 1.997 54.051 52.037 0.027 0.000 0.647 664 A CB -0.220 18.773 19.000 -0.012 0.000 0.828 664 A HN 0.359 nan 8.150 nan 0.000 0.455 665 E N -0.350 119.807 120.200 -0.071 0.000 3.388 665 E HA 0.165 4.515 4.350 -0.000 0.000 0.214 665 E C 0.882 177.355 176.600 -0.212 0.000 1.040 665 E CA -0.496 55.809 56.400 -0.159 0.000 1.327 665 E CB -0.493 29.122 29.700 -0.141 0.000 1.243 665 E HN 0.707 nan 8.360 nan 0.000 0.444 666 W N 0.491 121.691 121.300 -0.167 0.000 2.336 666 W HA -0.251 4.409 4.660 -0.000 0.000 0.277 666 W C 1.227 177.675 176.519 -0.117 0.000 1.211 666 W CA 1.293 58.523 57.345 -0.191 0.000 1.187 666 W CB -1.263 28.101 29.460 -0.160 0.000 1.132 666 W HN 0.365 nan 8.180 nan 0.000 0.562 667 S N 1.169 116.338 115.700 -0.885 0.000 2.419 667 S HA -0.268 4.202 4.470 -0.000 0.000 0.235 667 S C 1.408 175.866 174.600 -0.237 0.000 1.019 667 S CA 1.646 59.399 58.200 -0.744 0.000 0.982 667 S CB -0.776 61.991 63.200 -0.721 0.000 0.789 667 S HN 0.550 nan 8.310 nan 0.000 0.490 668 E N 0.704 120.794 120.200 -0.184 0.000 2.481 668 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 668 E C 1.246 177.830 176.600 -0.026 0.000 1.047 668 E CA 0.334 56.682 56.400 -0.087 0.000 0.867 668 E CB -0.130 29.514 29.700 -0.094 0.000 0.858 668 E HN 0.574 nan 8.360 nan 0.000 0.513 669 L N 0.127 121.341 121.223 -0.015 0.000 2.640 669 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 669 L C 0.848 177.784 176.870 0.111 0.000 1.123 669 L CA -0.202 54.650 54.840 0.021 0.000 0.900 669 L CB 0.739 42.691 42.059 -0.179 0.000 1.146 669 L HN -0.115 nan 8.230 nan 0.000 0.484 670 S N -0.016 115.769 115.700 0.141 0.000 2.503 670 S HA 0.177 4.647 4.470 -0.000 0.000 0.301 670 S C 0.942 175.578 174.600 0.061 0.000 1.087 670 S CA -0.664 57.639 58.200 0.171 0.000 1.042 670 S CB 1.568 65.012 63.200 0.407 0.000 1.043 670 S HN 0.434 nan 8.310 nan 0.000 0.489 671 E N 2.726 122.847 120.200 -0.131 0.000 2.409 671 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 671 E C 0.362 176.791 176.600 -0.285 0.000 1.024 671 E CA 1.159 57.383 56.400 -0.293 0.000 0.861 671 E CB -0.313 29.064 29.700 -0.540 0.000 0.788 671 E HN 0.759 nan 8.360 nan 0.000 0.521 672 F N 0.311 120.406 119.950 0.242 0.000 2.678 672 F HA 0.380 4.907 4.527 -0.000 0.000 0.305 672 F C 2.276 178.341 175.800 0.441 0.000 1.090 672 F CA -0.249 57.968 58.000 0.361 0.000 1.272 672 F CB 0.604 39.911 39.000 0.512 0.000 1.060 672 F HN 0.116 nan 8.300 nan 0.000 0.576 673 G N 0.645 109.694 108.800 0.415 0.000 2.503 673 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.221 673 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.221 673 G C 1.466 176.450 174.900 0.139 0.000 1.131 673 G CA 1.351 46.579 45.100 0.212 0.000 0.756 673 G HN 0.329 nan 8.290 nan 0.000 0.572 674 E N 1.035 121.307 120.200 0.121 0.000 2.171 674 E HA -0.075 4.275 4.350 -0.000 0.000 0.197 674 E C 2.532 179.116 176.600 -0.027 0.000 0.997 674 E CA 1.559 57.980 56.400 0.034 0.000 0.810 674 E CB -0.534 29.202 29.700 0.061 0.000 0.738 674 E HN 0.356 nan 8.360 nan 0.000 0.467 675 A N -1.050 121.794 122.820 0.041 0.000 2.066 675 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 675 A C 1.353 178.629 177.584 -0.514 0.000 1.157 675 A CA 0.940 52.877 52.037 -0.166 0.000 0.670 675 A CB -0.362 18.624 19.000 -0.022 0.000 0.804 675 A HN 0.337 nan 8.150 nan 0.000 0.453 676 F N -0.495 119.385 119.950 -0.117 0.000 2.682 676 F HA 0.220 4.747 4.527 -0.000 0.000 0.308 676 F C 1.659 177.181 175.800 -0.463 0.000 1.093 676 F CA -0.331 57.503 58.000 -0.276 0.000 1.244 676 F CB -0.078 38.878 39.000 -0.074 0.000 1.052 676 F HN 0.167 nan 8.300 nan 0.000 0.573 677 E N 1.073 121.103 120.200 -0.283 0.000 2.072 677 E HA -0.242 4.108 4.350 -0.000 0.000 0.218 677 E C 1.997 178.448 176.600 -0.248 0.000 1.051 677 E CA 1.516 57.758 56.400 -0.264 0.000 0.880 677 E CB -0.659 28.914 29.700 -0.211 0.000 0.783 677 E HN 0.405 nan 8.360 nan 0.000 0.473 678 G N -1.026 107.572 108.800 -0.336 0.000 3.414 678 G HA2 0.112 4.072 3.960 -0.000 0.000 0.258 678 G HA3 0.112 4.072 3.960 -0.000 0.000 0.258 678 G C 0.420 175.347 174.900 0.044 0.000 1.348 678 G CA -0.327 44.671 45.100 -0.170 0.000 1.319 678 G HN 0.168 nan 8.290 nan 0.000 0.555 679 F N -1.090 118.842 119.950 -0.031 0.000 2.752 679 F HA 0.174 4.701 4.527 -0.000 0.000 0.310 679 F C 1.273 177.065 175.800 -0.013 0.000 1.097 679 F CA -0.812 57.180 58.000 -0.014 0.000 1.238 679 F CB 0.481 39.492 39.000 0.018 0.000 1.061 679 F HN 0.241 nan 8.300 nan 0.000 0.591 680 N N 2.647 121.434 118.700 0.146 0.000 2.669 680 N HA -0.224 4.516 4.740 -0.000 0.000 0.266 680 N C -0.659 174.912 175.510 0.102 0.000 1.024 680 N CA 0.444 53.538 53.050 0.073 0.000 0.766 680 N CB -1.075 37.442 38.487 0.049 0.000 0.898 680 N HN 0.561 nan 8.380 nan 0.000 0.548 681 I N -3.185 117.479 120.570 0.157 0.000 2.910 681 I HA 0.494 4.664 4.170 -0.000 0.000 0.310 681 I C 0.268 176.537 176.117 0.254 0.000 1.043 681 I CA -1.240 60.159 61.300 0.166 0.000 1.053 681 I CB 1.761 39.864 38.000 0.171 0.000 1.242 681 I HN -0.001 nan 8.210 nan 0.000 0.452 682 K N 2.552 123.034 120.400 0.136 0.000 2.205 682 K HA 0.324 4.644 4.320 -0.000 0.000 0.279 682 K C -0.632 175.934 176.600 -0.056 0.000 1.027 682 K CA -0.748 55.592 56.287 0.088 0.000 0.932 682 K CB 1.319 33.822 32.500 0.005 0.000 1.032 682 K HN 0.638 nan 8.250 nan 0.000 0.466 683 L N 4.617 125.668 121.223 -0.287 0.000 2.505 683 L HA 0.127 4.467 4.340 -0.000 0.000 0.279 683 L C -0.654 175.957 176.870 -0.431 0.000 1.211 683 L CA 1.094 55.479 54.840 -0.759 0.000 1.059 683 L CB -0.297 40.991 42.059 -1.286 0.000 1.340 683 L HN 0.636 nan 8.230 nan 0.000 0.447 684 T N 2.876 117.232 114.554 -0.331 0.000 2.982 684 T HA 0.546 4.896 4.350 -0.000 0.000 0.321 684 T C -1.393 173.161 174.700 -0.243 0.000 1.229 684 T CA -0.538 61.421 62.100 -0.235 0.000 1.044 684 T CB 1.151 69.922 68.868 -0.162 0.000 1.184 684 T HN -0.008 nan 8.240 nan 0.000 0.477 685 V N 5.345 125.119 119.914 -0.232 0.000 2.304 685 V HA 0.703 4.823 4.120 -0.000 0.000 0.278 685 V C 0.397 176.257 176.094 -0.391 0.000 1.018 685 V CA -0.383 61.738 62.300 -0.299 0.000 0.814 685 V CB 0.673 32.345 31.823 -0.250 0.000 1.021 685 V HN 1.131 nan 8.190 nan 0.000 0.440 686 T N -0.042 114.270 114.554 -0.404 0.000 2.841 686 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 686 T C 1.144 175.649 174.700 -0.325 0.000 1.166 686 T CA 0.102 61.987 62.100 -0.358 0.000 1.007 686 T CB 1.717 70.487 68.868 -0.163 0.000 1.253 686 T HN 0.498 nan 8.240 nan 0.000 0.511 687 S N 0.230 115.863 115.700 -0.113 0.000 2.399 687 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 687 S C 1.436 175.967 174.600 -0.114 0.000 1.022 687 S CA 1.471 59.645 58.200 -0.044 0.000 0.983 687 S CB -0.761 62.486 63.200 0.079 0.000 0.803 687 S HN 0.772 nan 8.310 nan 0.000 0.480 688 E N 2.325 122.463 120.200 -0.104 0.000 2.015 688 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 688 E C 2.633 179.147 176.600 -0.142 0.000 0.991 688 E CA 1.508 57.844 56.400 -0.105 0.000 0.802 688 E CB -0.601 29.050 29.700 -0.082 0.000 0.759 688 E HN 0.756 nan 8.360 nan 0.000 0.447 689 S N 0.767 116.369 115.700 -0.164 0.000 2.370 689 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 689 S C 2.058 176.524 174.600 -0.223 0.000 1.033 689 S CA 1.089 59.181 58.200 -0.180 0.000 1.011 689 S CB -0.585 62.502 63.200 -0.189 0.000 0.852 689 S HN 0.186 nan 8.310 nan 0.000 0.457 690 L N 1.046 122.098 121.223 -0.286 0.000 2.141 690 L HA 0.040 4.380 4.340 -0.000 0.000 0.209 690 L C 3.124 179.822 176.870 -0.286 0.000 1.094 690 L CA 0.977 55.602 54.840 -0.358 0.000 0.763 690 L CB -0.692 41.040 42.059 -0.544 0.000 0.908 690 L HN 0.508 nan 8.230 nan 0.000 0.437 691 A N -0.314 122.371 122.820 -0.225 0.000 1.897 691 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 691 A C 2.181 179.667 177.584 -0.165 0.000 1.181 691 A CA 1.474 53.404 52.037 -0.178 0.000 0.620 691 A CB -0.332 18.585 19.000 -0.138 0.000 0.821 691 A HN 0.311 nan 8.150 nan 0.000 0.443 692 E N -0.128 119.974 120.200 -0.164 0.000 2.077 692 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 692 E C 1.778 178.254 176.600 -0.206 0.000 0.989 692 E CA 1.240 57.544 56.400 -0.159 0.000 0.800 692 E CB -0.411 29.206 29.700 -0.139 0.000 0.746 692 E HN 0.409 nan 8.360 nan 0.000 0.452 693 L N 0.553 121.636 121.223 -0.234 0.000 2.083 693 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 693 L C 1.016 177.738 176.870 -0.247 0.000 1.083 693 L CA 1.940 56.594 54.840 -0.309 0.000 0.752 693 L CB -0.394 41.465 42.059 -0.333 0.000 0.899 693 L HN 0.100 nan 8.230 nan 0.000 0.433 694 N N -1.201 117.402 118.700 -0.162 0.000 2.236 694 N HA 0.036 4.776 4.740 -0.000 0.000 0.196 694 N C -0.100 175.344 175.510 -0.110 0.000 1.114 694 N CA -0.077 52.918 53.050 -0.092 0.000 0.859 694 N CB 0.080 38.524 38.487 -0.072 0.000 0.982 694 N HN 0.181 nan 8.380 nan 0.000 0.493 695 K N 2.502 122.820 120.400 -0.135 0.000 2.436 695 K HA 0.081 4.401 4.320 -0.000 0.000 0.282 695 K C -2.486 174.053 176.600 -0.101 0.000 1.044 695 K CA -1.456 54.764 56.287 -0.112 0.000 1.028 695 K CB 0.442 32.873 32.500 -0.114 0.000 0.919 695 K HN -0.125 nan 8.250 nan 0.000 0.474 696 P HA -0.095 nan 4.420 nan 0.000 0.264 696 P C -1.183 176.086 177.300 -0.051 0.000 1.183 696 P CA -0.066 63.005 63.100 -0.048 0.000 0.763 696 P CB 0.714 32.401 31.700 -0.022 0.000 0.807 697 V N 6.112 125.998 119.914 -0.048 0.000 2.789 697 V HA 0.381 4.501 4.120 -0.000 0.000 0.311 697 V C -2.183 173.903 176.094 -0.014 0.000 1.073 697 V CA -1.991 60.285 62.300 -0.040 0.000 0.921 697 V CB 1.958 33.745 31.823 -0.060 0.000 1.009 697 V HN 0.460 nan 8.190 nan 0.000 0.426 698 P HA 0.245 nan 4.420 nan 0.000 0.265 698 P C -2.568 174.740 177.300 0.013 0.000 1.193 698 P CA -0.642 62.463 63.100 0.008 0.000 0.765 698 P CB -0.161 31.543 31.700 0.007 0.000 0.823 699 P HA 0.079 nan 4.420 nan 0.000 0.269 699 P C -0.386 176.929 177.300 0.024 0.000 1.209 699 P CA 0.012 63.130 63.100 0.030 0.000 0.776 699 P CB 0.477 32.202 31.700 0.043 0.000 0.876 700 K N 3.545 123.958 120.400 0.022 0.000 2.355 700 K HA 0.180 4.500 4.320 -0.000 0.000 0.270 700 K C -2.149 174.460 176.600 0.016 0.000 1.003 700 K CA -1.268 55.027 56.287 0.014 0.000 0.957 700 K CB -0.557 31.947 32.500 0.006 0.000 0.939 700 K HN 0.356 nan 8.250 nan 0.000 0.482 701 P HA 0.065 nan 4.420 nan 0.000 0.271 701 P C -2.356 174.948 177.300 0.007 0.000 1.216 701 P CA -1.006 62.100 63.100 0.010 0.000 0.776 701 P CB 0.069 31.772 31.700 0.004 0.000 0.881 702 P HA 0.139 nan 4.420 nan 0.000 0.274 702 P C -0.826 176.471 177.300 -0.006 0.000 1.237 702 P CA -0.087 63.020 63.100 0.011 0.000 0.793 702 P CB 0.538 32.252 31.700 0.023 0.000 0.977 703 N N 1.320 120.010 118.700 -0.018 0.000 2.623 703 N HA 0.404 5.144 4.740 -0.000 0.000 0.256 703 N C -1.506 173.975 175.510 -0.049 0.000 1.045 703 N CA -0.446 52.579 53.050 -0.042 0.000 0.863 703 N CB 0.441 38.887 38.487 -0.069 0.000 1.182 703 N HN 0.052 nan 8.380 nan 0.000 0.523 704 V N 2.218 122.110 119.914 -0.038 0.000 3.182 704 V HA 0.494 4.614 4.120 -0.000 0.000 0.308 704 V C 0.379 176.450 176.094 -0.037 0.000 1.240 704 V CA -0.875 61.403 62.300 -0.038 0.000 1.063 704 V CB 2.263 34.081 31.823 -0.008 0.000 1.076 704 V HN 0.515 nan 8.190 nan 0.000 0.446 705 N N 0.701 119.378 118.700 -0.038 0.000 2.297 705 N HA 0.104 4.844 4.740 -0.000 0.000 0.204 705 N C 0.699 176.205 175.510 -0.007 0.000 1.036 705 N CA 0.184 53.216 53.050 -0.031 0.000 0.991 705 N CB -0.047 38.415 38.487 -0.042 0.000 1.198 705 N HN 0.588 nan 8.380 nan 0.000 0.515 706 R N 3.053 123.555 120.500 0.004 0.000 2.265 706 R HA 0.201 4.541 4.340 -0.000 0.000 0.314 706 R C -2.293 174.022 176.300 0.026 0.000 1.053 706 R CA -1.211 54.901 56.100 0.020 0.000 0.931 706 R CB 0.494 30.813 30.300 0.031 0.000 1.024 706 R HN 0.152 nan 8.270 nan 0.000 0.457 707 P HA -0.063 nan 4.420 nan 0.000 0.257 707 P C 0.073 177.396 177.300 0.039 0.000 1.189 707 P CA -0.042 63.077 63.100 0.031 0.000 0.780 707 P CB 0.340 32.058 31.700 0.030 0.000 0.772 708 V N 1.213 121.153 119.914 0.043 0.000 2.843 708 V HA -0.031 4.089 4.120 -0.000 0.000 0.305 708 V C 0.948 177.072 176.094 0.049 0.000 1.120 708 V CA -0.628 61.702 62.300 0.051 0.000 1.254 708 V CB -0.250 31.606 31.823 0.056 0.000 0.901 708 V HN 0.596 nan 8.190 nan 0.000 0.503 709 N N 3.417 122.146 118.700 0.050 0.000 2.411 709 N HA -0.087 4.653 4.740 -0.000 0.000 0.282 709 N C 1.301 176.841 175.510 0.050 0.000 1.322 709 N CA 1.225 54.303 53.050 0.046 0.000 0.943 709 N CB 0.941 39.453 38.487 0.043 0.000 1.266 709 N HN 1.071 nan 8.380 nan 0.000 0.486 710 T N 2.026 116.610 114.554 0.048 0.000 2.946 710 T HA -0.090 4.260 4.350 -0.000 0.000 0.271 710 T C 1.574 176.307 174.700 0.054 0.000 1.104 710 T CA 1.655 63.786 62.100 0.053 0.000 1.114 710 T CB -0.290 68.606 68.868 0.048 0.000 0.867 710 T HN 0.620 nan 8.240 nan 0.000 0.513 711 G N -0.196 108.632 108.800 0.046 0.000 2.776 711 G HA2 0.412 4.372 3.960 -0.000 0.000 0.209 711 G HA3 0.412 4.372 3.960 -0.000 0.000 0.209 711 G C 0.870 175.798 174.900 0.047 0.000 1.145 711 G CA 0.288 45.412 45.100 0.040 0.000 0.791 711 G HN 1.016 nan 8.290 nan 0.000 0.530 712 G N -0.983 107.854 108.800 0.061 0.000 2.828 712 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.463 712 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.463 712 G C 0.508 175.444 174.900 0.061 0.000 1.394 712 G CA -0.153 44.993 45.100 0.076 0.000 0.862 712 G HN 0.709 nan 8.290 nan 0.000 0.540 713 L N 0.581 121.849 121.223 0.074 0.000 2.131 713 L HA 0.057 4.397 4.340 -0.000 0.000 0.210 713 L C 2.846 179.738 176.870 0.037 0.000 1.092 713 L CA 3.112 57.987 54.840 0.059 0.000 0.759 713 L CB -0.471 41.637 42.059 0.081 0.000 0.903 713 L HN 0.849 nan 8.230 nan 0.000 0.435 714 K N -1.298 119.118 120.400 0.028 0.000 2.365 714 K HA 0.046 4.366 4.320 -0.000 0.000 0.199 714 K C 1.774 178.366 176.600 -0.015 0.000 1.045 714 K CA 0.989 57.268 56.287 -0.013 0.000 0.962 714 K CB -0.348 32.118 32.500 -0.057 0.000 0.759 714 K HN 0.252 nan 8.250 nan 0.000 0.469 715 A N 1.640 124.461 122.820 0.002 0.000 1.854 715 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 715 A C 2.345 179.930 177.584 0.002 0.000 1.192 715 A CA 1.295 53.334 52.037 0.003 0.000 0.611 715 A CB -0.707 18.302 19.000 0.015 0.000 0.832 715 A HN 0.115 nan 8.150 nan 0.000 0.442 716 V N 0.043 119.960 119.914 0.006 0.000 2.407 716 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 716 V C 2.776 178.857 176.094 -0.023 0.000 1.055 716 V CA 2.220 64.518 62.300 -0.004 0.000 1.049 716 V CB -0.730 31.093 31.823 -0.001 0.000 0.662 716 V HN 0.543 nan 8.190 nan 0.000 0.455 717 S N 0.277 115.967 115.700 -0.017 0.000 2.356 717 S HA -0.219 4.251 4.470 -0.000 0.000 0.223 717 S C 1.902 176.479 174.600 -0.039 0.000 1.032 717 S CA 1.936 60.121 58.200 -0.026 0.000 1.005 717 S CB -0.446 62.747 63.200 -0.012 0.000 0.867 717 S HN 0.634 nan 8.310 nan 0.000 0.449 718 N N 1.167 119.847 118.700 -0.033 0.000 2.188 718 N HA 0.069 4.809 4.740 -0.000 0.000 0.184 718 N C 1.689 177.187 175.510 -0.021 0.000 1.018 718 N CA 1.110 54.140 53.050 -0.033 0.000 0.858 718 N CB -0.380 38.089 38.487 -0.031 0.000 0.989 718 N HN 0.361 nan 8.380 nan 0.000 0.426 719 A N 0.735 123.549 122.820 -0.010 0.000 1.841 719 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 719 A C 2.134 179.729 177.584 0.017 0.000 1.199 719 A CA 1.180 53.224 52.037 0.012 0.000 0.621 719 A CB -1.043 17.970 19.000 0.022 0.000 0.835 719 A HN 0.285 nan 8.150 nan 0.000 0.445 720 L N -0.913 120.288 121.223 -0.037 0.000 2.187 720 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 720 L C 2.514 179.353 176.870 -0.051 0.000 1.100 720 L CA 1.702 56.477 54.840 -0.108 0.000 0.765 720 L CB -0.425 41.474 42.059 -0.267 0.000 0.904 720 L HN 0.324 nan 8.230 nan 0.000 0.437 721 K N -0.146 120.220 120.400 -0.057 0.000 2.280 721 K HA -0.157 4.163 4.320 -0.000 0.000 0.202 721 K C 2.082 178.666 176.600 -0.027 0.000 1.047 721 K CA 1.389 57.637 56.287 -0.065 0.000 0.942 721 K CB -0.435 32.025 32.500 -0.068 0.000 0.739 721 K HN 0.069 nan 8.250 nan 0.000 0.457 722 T N -1.588 112.972 114.554 0.011 0.000 2.759 722 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 722 T C 1.280 175.990 174.700 0.016 0.000 1.042 722 T CA 1.993 64.103 62.100 0.017 0.000 1.140 722 T CB -0.400 68.494 68.868 0.042 0.000 0.864 722 T HN 0.556 nan 8.240 nan 0.000 0.455 723 G N 0.691 109.551 108.800 0.100 0.000 2.194 723 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 723 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 723 G C 0.205 175.117 174.900 0.020 0.000 0.987 723 G CA 0.021 45.160 45.100 0.065 0.000 0.635 723 G HN 0.617 nan 8.290 nan 0.000 0.520 724 R N 0.403 120.964 120.500 0.102 0.000 2.272 724 R HA 0.607 4.947 4.340 -0.000 0.000 0.323 724 R C -0.532 175.878 176.300 0.183 0.000 1.002 724 R CA -0.562 55.566 56.100 0.047 0.000 0.900 724 R CB 0.455 30.780 30.300 0.041 0.000 1.151 724 R HN 0.575 nan 8.270 nan 0.000 0.507 725 Y N -1.348 119.036 120.300 0.139 0.000 2.588 725 Y HA 0.561 5.111 4.550 -0.000 0.000 0.343 725 Y C -0.330 175.693 175.900 0.205 0.000 1.065 725 Y CA -1.721 56.462 58.100 0.139 0.000 1.038 725 Y CB 1.096 39.618 38.460 0.103 0.000 1.297 725 Y HN 0.137 nan 8.280 nan 0.000 0.467 726 R N 0.719 121.416 120.500 0.328 0.000 2.577 726 R HA 0.229 4.569 4.340 -0.000 0.000 0.269 726 R C -0.659 175.878 176.300 0.395 0.000 1.084 726 R CA -0.886 55.383 56.100 0.282 0.000 1.163 726 R CB 0.392 30.817 30.300 0.210 0.000 1.100 726 R HN 0.725 nan 8.270 nan 0.000 0.547 727 N N 1.416 120.354 118.700 0.396 0.000 2.719 727 N HA -0.020 4.720 4.740 -0.000 0.000 0.243 727 N C -0.070 175.641 175.510 0.336 0.000 1.104 727 N CA 0.018 53.378 53.050 0.516 0.000 0.981 727 N CB 0.633 39.475 38.487 0.592 0.000 1.290 727 N HN 0.419 nan 8.380 nan 0.000 0.513 728 E N 1.657 122.016 120.200 0.265 0.000 2.516 728 E HA -0.019 4.331 4.350 -0.000 0.000 0.199 728 E C 0.832 177.519 176.600 0.146 0.000 1.069 728 E CA 0.191 56.698 56.400 0.178 0.000 0.876 728 E CB 0.113 29.897 29.700 0.139 0.000 0.843 728 E HN 0.700 nan 8.360 nan 0.000 0.530 729 A N 0.309 123.247 122.820 0.197 0.000 2.147 729 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 729 A C 1.402 179.057 177.584 0.118 0.000 1.160 729 A CA 0.874 52.987 52.037 0.127 0.000 0.781 729 A CB -0.062 19.034 19.000 0.161 0.000 0.842 729 A HN 0.268 nan 8.150 nan 0.000 0.475 730 G N -0.306 108.593 108.800 0.166 0.000 2.547 730 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.271 730 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.271 730 G C 0.826 175.672 174.900 -0.089 0.000 1.209 730 G CA 0.383 45.533 45.100 0.083 0.000 0.959 730 G HN 1.146 nan 8.290 nan 0.000 0.563 731 L N 0.896 121.873 121.223 -0.410 0.000 2.017 731 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 731 L C 3.072 179.867 176.870 -0.125 0.000 1.073 731 L CA 3.320 57.849 54.840 -0.519 0.000 0.745 731 L CB -1.108 40.627 42.059 -0.539 0.000 0.894 731 L HN 1.162 nan 8.230 nan 0.000 0.432 732 S N -0.394 115.275 115.700 -0.050 0.000 2.372 732 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 732 S C 2.095 176.794 174.600 0.166 0.000 1.044 732 S CA 1.645 59.893 58.200 0.079 0.000 1.050 732 S CB -1.098 62.155 63.200 0.089 0.000 0.901 732 S HN 0.710 nan 8.310 nan 0.000 0.447 733 G N 1.183 110.091 108.800 0.180 0.000 2.418 733 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 733 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 733 G C 1.444 176.659 174.900 0.524 0.000 1.158 733 G CA 0.958 46.315 45.100 0.428 0.000 0.771 733 G HN 0.541 nan 8.290 nan 0.000 0.545 734 L N 0.217 121.616 121.223 0.294 0.000 2.093 734 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 734 L C 2.975 179.952 176.870 0.178 0.000 1.085 734 L CA 0.328 55.275 54.840 0.179 0.000 0.755 734 L CB -0.559 41.537 42.059 0.060 0.000 0.904 734 L HN 0.074 nan 8.230 nan 0.000 0.435 735 V N 0.340 120.353 119.914 0.166 0.000 2.332 735 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 735 V C 2.380 178.609 176.094 0.224 0.000 1.055 735 V CA 1.729 64.132 62.300 0.172 0.000 1.038 735 V CB -0.402 31.526 31.823 0.175 0.000 0.651 735 V HN 0.358 nan 8.190 nan 0.000 0.450 736 L N -0.935 120.456 121.223 0.280 0.000 2.156 736 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 736 L C 2.384 179.432 176.870 0.296 0.000 1.095 736 L CA 0.913 55.902 54.840 0.248 0.000 0.770 736 L CB -0.497 41.693 42.059 0.218 0.000 0.914 736 L HN 0.341 nan 8.230 nan 0.000 0.439 737 L N 0.223 121.696 121.223 0.417 0.000 2.093 737 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 737 L C 2.590 179.621 176.870 0.270 0.000 1.085 737 L CA 1.836 56.953 54.840 0.462 0.000 0.755 737 L CB -0.597 41.743 42.059 0.467 0.000 0.904 737 L HN 0.111 nan 8.230 nan 0.000 0.435 738 A N -1.320 121.613 122.820 0.189 0.000 1.873 738 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 738 A C 2.240 179.894 177.584 0.117 0.000 1.186 738 A CA 2.201 54.309 52.037 0.117 0.000 0.616 738 A CB -1.243 17.812 19.000 0.090 0.000 0.823 738 A HN 0.487 nan 8.150 nan 0.000 0.442 739 T N 0.330 114.963 114.554 0.132 0.000 2.803 739 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 739 T C 2.052 176.814 174.700 0.104 0.000 1.052 739 T CA 1.520 63.684 62.100 0.107 0.000 1.136 739 T CB -0.317 68.616 68.868 0.107 0.000 0.864 739 T HN 0.580 nan 8.240 nan 0.000 0.467 740 A N 1.178 124.092 122.820 0.158 0.000 1.975 740 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 740 A C 2.269 179.943 177.584 0.149 0.000 1.170 740 A CA 0.662 52.809 52.037 0.185 0.000 0.656 740 A CB -0.198 19.026 19.000 0.374 0.000 0.821 740 A HN 0.340 nan 8.150 nan 0.000 0.449 741 R N -0.272 120.309 120.500 0.134 0.000 2.300 741 R HA 0.213 4.553 4.340 -0.000 0.000 0.199 741 R C 0.098 176.427 176.300 0.050 0.000 0.920 741 R CA 0.127 56.273 56.100 0.077 0.000 1.046 741 R CB 0.204 30.540 30.300 0.061 0.000 0.984 741 R HN 0.376 nan 8.270 nan 0.000 0.493 742 S N 0.080 115.812 115.700 0.053 0.000 2.738 742 S HA 0.362 4.832 4.470 -0.000 0.000 0.284 742 S C 0.140 174.756 174.600 0.027 0.000 1.146 742 S CA -0.754 57.468 58.200 0.037 0.000 0.997 742 S CB 1.290 64.513 63.200 0.039 0.000 1.081 742 S HN 0.115 nan 8.310 nan 0.000 0.553 743 R N 0.733 121.247 120.500 0.022 0.000 2.694 743 R HA 0.166 4.506 4.340 -0.000 0.000 0.268 743 R C 1.373 177.678 176.300 0.008 0.000 1.061 743 R CA -0.270 55.838 56.100 0.014 0.000 1.133 743 R CB 0.098 30.411 30.300 0.022 0.000 1.020 743 R HN 0.525 nan 8.270 nan 0.000 0.475 744 L N 2.256 123.475 121.223 -0.007 0.000 2.129 744 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 744 L C 2.160 179.028 176.870 -0.004 0.000 1.087 744 L CA 1.876 56.711 54.840 -0.009 0.000 0.757 744 L CB -0.139 41.907 42.059 -0.021 0.000 0.896 744 L HN 0.718 nan 8.230 nan 0.000 0.434 745 Q N -1.947 117.853 119.800 -0.000 0.000 2.331 745 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 745 Q C 0.378 176.380 176.000 0.003 0.000 0.944 745 Q CA 0.711 56.513 55.803 -0.002 0.000 0.892 745 Q CB -0.046 28.693 28.738 0.002 0.000 0.983 745 Q HN 0.392 nan 8.270 nan 0.000 0.482 746 D N 1.121 121.527 120.400 0.010 0.000 2.690 746 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 746 D C 0.827 177.141 176.300 0.022 0.000 1.218 746 D CA 0.258 54.267 54.000 0.015 0.000 0.829 746 D CB 0.690 41.500 40.800 0.017 0.000 1.009 746 D HN 0.365 nan 8.370 nan 0.000 0.482 747 A N 0.074 122.907 122.820 0.022 0.000 1.902 747 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 747 A C 2.346 179.954 177.584 0.041 0.000 1.181 747 A CA 1.018 53.077 52.037 0.037 0.000 0.623 747 A CB -0.403 18.618 19.000 0.035 0.000 0.818 747 A HN 0.227 nan 8.150 nan 0.000 0.443 748 V N 0.054 119.984 119.914 0.028 0.000 2.295 748 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 748 V C 2.454 178.563 176.094 0.025 0.000 1.049 748 V CA 2.345 64.661 62.300 0.026 0.000 1.024 748 V CB -0.690 31.142 31.823 0.014 0.000 0.648 748 V HN 0.527 nan 8.190 nan 0.000 0.447 749 K N 0.175 120.588 120.400 0.021 0.000 2.057 749 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 749 K C 2.371 178.986 176.600 0.026 0.000 1.050 749 K CA 1.373 57.672 56.287 0.020 0.000 0.935 749 K CB -0.474 32.035 32.500 0.016 0.000 0.715 749 K HN 0.449 nan 8.250 nan 0.000 0.439 750 A N 2.070 124.910 122.820 0.033 0.000 1.917 750 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 750 A C 2.064 179.678 177.584 0.050 0.000 1.182 750 A CA 2.039 54.101 52.037 0.043 0.000 0.633 750 A CB -0.482 18.551 19.000 0.054 0.000 0.819 750 A HN 0.283 nan 8.150 nan 0.000 0.448 751 K N -0.511 119.922 120.400 0.054 0.000 2.057 751 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 751 K C 2.185 178.807 176.600 0.038 0.000 1.050 751 K CA 1.219 57.539 56.287 0.055 0.000 0.935 751 K CB -0.366 32.166 32.500 0.054 0.000 0.715 751 K HN 0.360 nan 8.250 nan 0.000 0.439 752 A N 1.648 124.485 122.820 0.029 0.000 1.908 752 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 752 A C 1.892 179.490 177.584 0.024 0.000 1.181 752 A CA 1.688 53.738 52.037 0.023 0.000 0.627 752 A CB -0.501 18.509 19.000 0.017 0.000 0.818 752 A HN 0.379 nan 8.150 nan 0.000 0.445 753 E N -0.106 120.108 120.200 0.023 0.000 2.204 753 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 753 E C 2.240 178.854 176.600 0.023 0.000 0.990 753 E CA 1.138 57.548 56.400 0.017 0.000 0.821 753 E CB -0.478 29.230 29.700 0.013 0.000 0.750 753 E HN 0.615 nan 8.360 nan 0.000 0.477 754 A N 1.276 124.116 122.820 0.033 0.000 1.872 754 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 754 A C 2.047 179.664 177.584 0.056 0.000 1.187 754 A CA 1.180 53.241 52.037 0.040 0.000 0.614 754 A CB -0.393 18.637 19.000 0.049 0.000 0.826 754 A HN 0.161 nan 8.150 nan 0.000 0.442 755 E N 0.079 120.308 120.200 0.049 0.000 2.118 755 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 755 E C 2.036 178.684 176.600 0.079 0.000 0.992 755 E CA 1.492 57.932 56.400 0.065 0.000 0.804 755 E CB -0.132 29.591 29.700 0.039 0.000 0.741 755 E HN 0.593 nan 8.360 nan 0.000 0.458 756 K N 0.458 120.888 120.400 0.050 0.000 1.984 756 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 756 K C 2.215 178.838 176.600 0.040 0.000 1.046 756 K CA 0.916 57.224 56.287 0.035 0.000 0.934 756 K CB -0.317 32.194 32.500 0.018 0.000 0.717 756 K HN 0.021 nan 8.250 nan 0.000 0.438 757 L N 1.170 122.416 121.223 0.039 0.000 2.081 757 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 757 L C 2.256 179.167 176.870 0.069 0.000 1.080 757 L CA 1.960 56.819 54.840 0.031 0.000 0.754 757 L CB -0.651 41.416 42.059 0.013 0.000 0.893 757 L HN 0.254 nan 8.230 nan 0.000 0.433 758 H N -0.264 118.803 119.070 -0.005 0.000 2.357 758 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 758 H C 2.140 177.470 175.328 0.004 0.000 1.082 758 H CA 2.019 58.070 56.048 0.005 0.000 1.342 758 H CB 0.083 29.856 29.762 0.018 0.000 1.389 758 H HN 0.348 nan 8.280 nan 0.000 0.511 759 K N -0.439 119.958 120.400 -0.004 0.000 2.211 759 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 759 K C 2.404 178.963 176.600 -0.068 0.000 1.050 759 K CA 0.882 57.132 56.287 -0.062 0.000 0.945 759 K CB -0.080 32.415 32.500 -0.007 0.000 0.732 759 K HN 0.140 nan 8.250 nan 0.000 0.451 760 S N 1.496 117.171 115.700 -0.042 0.000 2.378 760 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 760 S C 1.006 175.575 174.600 -0.052 0.000 1.052 760 S CA 1.450 59.627 58.200 -0.038 0.000 1.084 760 S CB -0.012 63.172 63.200 -0.027 0.000 0.950 760 S HN 0.196 nan 8.310 nan 0.000 0.440 761 K N 2.005 122.361 120.400 -0.074 0.000 2.290 761 K HA 0.276 4.596 4.320 -0.000 0.000 0.250 761 K C -1.898 174.637 176.600 -0.107 0.000 1.092 761 K CA -2.094 54.150 56.287 -0.072 0.000 1.006 761 K CB 1.237 33.703 32.500 -0.055 0.000 1.549 761 K HN 0.249 nan 8.250 nan 0.000 0.436 762 P HA -0.207 nan 4.420 nan 0.000 0.218 762 P C 0.401 177.661 177.300 -0.068 0.000 1.149 762 P CA 1.300 64.347 63.100 -0.087 0.000 0.817 762 P CB 0.255 31.921 31.700 -0.055 0.000 0.785 763 D N -0.074 120.299 120.400 -0.046 0.000 2.087 763 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 763 D C 0.679 176.966 176.300 -0.021 0.000 0.980 763 D CA 1.004 54.989 54.000 -0.026 0.000 0.849 763 D CB -1.036 39.755 40.800 -0.015 0.000 1.001 763 D HN 0.071 nan 8.370 nan 0.000 0.452 764 D N 0.739 121.129 120.400 -0.016 0.000 2.441 764 D HA 0.165 4.805 4.640 -0.000 0.000 0.287 764 D C -1.720 174.581 176.300 0.002 0.000 1.198 764 D CA -1.792 52.211 54.000 0.004 0.000 0.894 764 D CB 1.682 42.494 40.800 0.020 0.000 1.070 764 D HN -0.041 nan 8.370 nan 0.000 0.499 765 P HA -0.081 nan 4.420 nan 0.000 0.217 765 P C 0.294 177.645 177.300 0.085 0.000 1.150 765 P CA 0.850 63.930 63.100 -0.033 0.000 0.832 765 P CB 0.498 32.044 31.700 -0.256 0.000 0.787 766 D N -0.215 120.267 120.400 0.137 0.000 2.413 766 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 766 D C 1.619 178.010 176.300 0.152 0.000 1.171 766 D CA 0.074 54.186 54.000 0.186 0.000 0.839 766 D CB 0.013 40.942 40.800 0.216 0.000 0.950 766 D HN 0.147 nan 8.370 nan 0.000 0.499 767 A N 0.730 123.612 122.820 0.102 0.000 1.855 767 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 767 A C 0.963 178.605 177.584 0.096 0.000 1.191 767 A CA 1.120 53.209 52.037 0.086 0.000 0.613 767 A CB 0.076 19.107 19.000 0.052 0.000 0.829 767 A HN 0.194 nan 8.150 nan 0.000 0.442 768 D N -2.628 117.819 120.400 0.078 0.000 2.686 768 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 768 D C 0.391 176.723 176.300 0.053 0.000 1.260 768 D CA -0.775 53.262 54.000 0.062 0.000 0.910 768 D CB 0.308 41.129 40.800 0.034 0.000 1.323 768 D HN 0.329 nan 8.370 nan 0.000 0.561 769 W N 4.806 126.048 121.300 -0.096 0.000 2.354 769 W HA -0.230 4.430 4.660 -0.000 0.000 0.315 769 W C 0.976 177.449 176.519 -0.077 0.000 1.206 769 W CA 0.772 58.075 57.345 -0.068 0.000 1.290 769 W CB -0.494 28.924 29.460 -0.070 0.000 1.152 769 W HN 0.542 nan 8.180 nan 0.000 0.489 770 F N 2.265 122.077 119.950 -0.229 0.000 2.250 770 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 770 F C 2.499 178.157 175.800 -0.237 0.000 1.077 770 F CA 2.330 60.202 58.000 -0.212 0.000 1.348 770 F CB -0.551 38.373 39.000 -0.127 0.000 1.040 770 F HN -0.127 nan 8.300 nan 0.000 0.509 771 E N 0.770 120.862 120.200 -0.181 0.000 2.001 771 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 771 E C 2.292 178.708 176.600 -0.306 0.000 0.994 771 E CA 1.010 57.289 56.400 -0.202 0.000 0.815 771 E CB -0.200 29.457 29.700 -0.073 0.000 0.770 771 E HN 0.197 nan 8.360 nan 0.000 0.453 772 R N 0.684 121.012 120.500 -0.288 0.000 2.211 772 R HA -0.083 4.257 4.340 -0.000 0.000 0.240 772 R C 2.435 178.479 176.300 -0.428 0.000 1.144 772 R CA 1.046 56.969 56.100 -0.295 0.000 0.992 772 R CB -1.333 28.822 30.300 -0.242 0.000 0.869 772 R HN 0.162 nan 8.270 nan 0.000 0.462 773 S N 0.760 116.077 115.700 -0.639 0.000 2.335 773 S HA -0.083 4.387 4.470 -0.000 0.000 0.217 773 S C 1.625 175.951 174.600 -0.457 0.000 1.032 773 S CA 0.657 58.473 58.200 -0.640 0.000 0.985 773 S CB 0.104 62.829 63.200 -0.791 0.000 0.896 773 S HN 0.214 nan 8.310 nan 0.000 0.445 774 E N 0.705 120.571 120.200 -0.557 0.000 2.118 774 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 774 E C 2.183 178.623 176.600 -0.267 0.000 0.992 774 E CA 1.474 57.611 56.400 -0.438 0.000 0.804 774 E CB -0.917 28.462 29.700 -0.535 0.000 0.741 774 E HN 0.533 nan 8.360 nan 0.000 0.458 775 T N 1.956 116.360 114.554 -0.249 0.000 2.668 775 T HA -0.131 4.219 4.350 -0.000 0.000 0.262 775 T C 1.880 176.499 174.700 -0.135 0.000 1.045 775 T CA 0.917 62.920 62.100 -0.163 0.000 1.152 775 T CB -0.381 68.402 68.868 -0.141 0.000 0.864 775 T HN 0.037 nan 8.240 nan 0.000 0.419 776 L N 1.411 122.542 121.223 -0.153 0.000 2.081 776 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 776 L C 2.430 179.247 176.870 -0.089 0.000 1.080 776 L CA 1.651 56.425 54.840 -0.109 0.000 0.754 776 L CB -1.073 40.913 42.059 -0.121 0.000 0.893 776 L HN 0.123 nan 8.230 nan 0.000 0.433 777 S N -0.584 115.047 115.700 -0.115 0.000 2.399 777 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 777 S C 1.553 176.114 174.600 -0.064 0.000 1.022 777 S CA 1.213 59.363 58.200 -0.085 0.000 0.983 777 S CB -0.347 62.790 63.200 -0.105 0.000 0.803 777 S HN 0.572 nan 8.310 nan 0.000 0.480 778 D N 1.484 121.840 120.400 -0.074 0.000 2.084 778 D HA -0.016 4.624 4.640 -0.000 0.000 0.196 778 D C 2.014 178.290 176.300 -0.040 0.000 0.985 778 D CA 0.794 54.762 54.000 -0.055 0.000 0.826 778 D CB -0.355 40.410 40.800 -0.060 0.000 0.978 778 D HN 0.310 nan 8.370 nan 0.000 0.456 779 L N 0.739 121.936 121.223 -0.042 0.000 2.013 779 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 779 L C 2.696 179.555 176.870 -0.018 0.000 1.073 779 L CA 0.842 55.665 54.840 -0.028 0.000 0.753 779 L CB -0.538 41.504 42.059 -0.027 0.000 0.890 779 L HN 0.051 nan 8.230 nan 0.000 0.432 780 L N -0.544 120.668 121.223 -0.019 0.000 2.042 780 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 780 L C 2.557 179.423 176.870 -0.006 0.000 1.076 780 L CA 1.387 56.222 54.840 -0.008 0.000 0.749 780 L CB -0.556 41.499 42.059 -0.005 0.000 0.893 780 L HN 0.337 nan 8.230 nan 0.000 0.432 781 E N -0.187 120.005 120.200 -0.013 0.000 2.208 781 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 781 E C 2.099 178.694 176.600 -0.008 0.000 0.988 781 E CA 0.495 56.889 56.400 -0.009 0.000 0.828 781 E CB 0.128 29.820 29.700 -0.014 0.000 0.763 781 E HN 0.350 nan 8.360 nan 0.000 0.478 782 K N 0.654 121.047 120.400 -0.011 0.000 2.097 782 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 782 K C 1.852 178.449 176.600 -0.005 0.000 1.050 782 K CA 0.987 57.268 56.287 -0.010 0.000 0.938 782 K CB -0.165 32.327 32.500 -0.012 0.000 0.718 782 K HN 0.038 nan 8.250 nan 0.000 0.442 783 A N 1.031 123.849 122.820 -0.004 0.000 2.251 783 A HA -0.022 4.298 4.320 -0.000 0.000 0.209 783 A C -0.188 177.398 177.584 0.003 0.000 1.187 783 A CA 0.168 52.206 52.037 0.000 0.000 0.823 783 A CB -0.095 18.906 19.000 0.002 0.000 0.846 783 A HN 0.300 nan 8.150 nan 0.000 0.486 784 D N -0.755 119.646 120.400 0.002 0.000 2.751 784 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 784 D C 0.590 176.896 176.300 0.010 0.000 1.149 784 D CA 1.301 55.304 54.000 0.005 0.000 0.682 784 D CB -1.212 39.592 40.800 0.005 0.000 1.068 784 D HN 0.849 nan 8.370 nan 0.000 0.429 785 I N -3.819 116.758 120.570 0.011 0.000 4.082 785 I HA 0.380 4.550 4.170 -0.000 0.000 0.337 785 I C 0.772 176.901 176.117 0.019 0.000 1.352 785 I CA -0.446 60.863 61.300 0.016 0.000 1.097 785 I CB 0.640 38.649 38.000 0.016 0.000 1.048 785 I HN -0.000 nan 8.210 nan 0.000 0.393 786 A N 1.557 124.386 122.820 0.015 0.000 2.354 786 A HA 0.571 4.891 4.320 -0.000 0.000 0.281 786 A C 0.593 178.192 177.584 0.024 0.000 1.174 786 A CA -0.090 51.956 52.037 0.016 0.000 0.828 786 A CB 0.150 19.154 19.000 0.007 0.000 1.099 786 A HN 0.395 nan 8.150 nan 0.000 0.516 787 S N 1.789 117.506 115.700 0.029 0.000 2.576 787 S HA 0.115 4.585 4.470 -0.000 0.000 0.272 787 S C 0.493 175.121 174.600 0.047 0.000 1.352 787 S CA -0.085 58.140 58.200 0.042 0.000 1.021 787 S CB 0.350 63.567 63.200 0.029 0.000 0.887 787 S HN 0.674 nan 8.310 nan 0.000 0.542 788 K N 1.022 121.468 120.400 0.076 0.000 2.154 788 K HA 0.221 4.541 4.320 -0.000 0.000 0.264 788 K C 1.308 177.947 176.600 0.065 0.000 1.008 788 K CA -0.582 55.744 56.287 0.065 0.000 0.937 788 K CB 0.457 32.998 32.500 0.068 0.000 1.002 788 K HN 0.273 nan 8.250 nan 0.000 0.469 789 V N 1.874 121.811 119.914 0.039 0.000 2.241 789 V HA -0.353 3.767 4.120 -0.000 0.000 0.256 789 V C 1.467 177.587 176.094 0.043 0.000 1.060 789 V CA 2.495 64.813 62.300 0.030 0.000 1.065 789 V CB -0.692 31.142 31.823 0.018 0.000 0.685 789 V HN 0.987 nan 8.190 nan 0.000 0.467 790 A N -1.424 121.430 122.820 0.056 0.000 2.929 790 A HA 0.329 4.649 4.320 -0.000 0.000 0.279 790 A C 0.500 178.177 177.584 0.155 0.000 1.418 790 A CA 0.227 52.307 52.037 0.071 0.000 1.035 790 A CB -0.733 18.296 19.000 0.047 0.000 1.047 790 A HN 0.779 nan 8.150 nan 0.000 0.609 791 H N -0.154 118.916 119.070 0.001 0.000 3.080 791 H HA 0.248 4.804 4.556 -0.000 0.000 0.211 791 H C 0.272 175.605 175.328 0.008 0.000 1.359 791 H CA -0.242 55.808 56.048 0.004 0.000 1.322 791 H CB -0.104 29.659 29.762 0.003 0.000 2.164 791 H HN 0.353 nan 8.280 nan 0.000 0.526 792 S N -0.617 115.044 115.700 -0.065 0.000 2.617 792 S HA 0.390 4.860 4.470 -0.000 0.000 0.259 792 S C 1.908 176.425 174.600 -0.138 0.000 1.301 792 S CA -0.180 57.981 58.200 -0.065 0.000 0.984 792 S CB 1.198 64.386 63.200 -0.020 0.000 0.954 792 S HN 0.469 nan 8.310 nan 0.000 0.572 793 A N 0.455 123.231 122.820 -0.073 0.000 1.908 793 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 793 A C 2.183 179.716 177.584 -0.085 0.000 1.181 793 A CA 1.427 53.418 52.037 -0.076 0.000 0.627 793 A CB -1.156 17.829 19.000 -0.025 0.000 0.818 793 A HN 0.803 nan 8.150 nan 0.000 0.445 794 L N -0.503 120.685 121.223 -0.059 0.000 1.989 794 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 794 L C 2.593 179.421 176.870 -0.071 0.000 1.071 794 L CA 1.625 56.433 54.840 -0.053 0.000 0.749 794 L CB -0.511 41.531 42.059 -0.029 0.000 0.890 794 L HN 0.294 nan 8.230 nan 0.000 0.431 795 V N -0.364 119.492 119.914 -0.097 0.000 2.343 795 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 795 V C 2.304 178.318 176.094 -0.134 0.000 1.051 795 V CA 1.885 64.126 62.300 -0.098 0.000 1.036 795 V CB -0.603 31.167 31.823 -0.089 0.000 0.654 795 V HN 0.479 nan 8.190 nan 0.000 0.451 796 E N 0.069 120.115 120.200 -0.257 0.000 2.058 796 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 796 E C 2.322 178.887 176.600 -0.059 0.000 0.997 796 E CA 1.885 58.164 56.400 -0.202 0.000 0.801 796 E CB -0.349 29.212 29.700 -0.231 0.000 0.746 796 E HN 0.589 nan 8.360 nan 0.000 0.450 797 T N 0.502 115.026 114.554 -0.049 0.000 2.708 797 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 797 T C 2.151 176.860 174.700 0.014 0.000 1.037 797 T CA 1.334 63.432 62.100 -0.004 0.000 1.146 797 T CB -0.200 68.662 68.868 -0.009 0.000 0.865 797 T HN 0.038 nan 8.240 nan 0.000 0.435 798 S N 1.287 116.984 115.700 -0.005 0.000 2.382 798 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 798 S C 1.839 176.453 174.600 0.022 0.000 1.027 798 S CA 1.037 59.241 58.200 0.007 0.000 0.991 798 S CB -0.394 62.798 63.200 -0.013 0.000 0.823 798 S HN 0.496 nan 8.310 nan 0.000 0.469 799 D N 1.587 122.000 120.400 0.022 0.000 2.144 799 D HA 0.021 4.661 4.640 -0.000 0.000 0.200 799 D C 2.160 178.487 176.300 0.046 0.000 0.978 799 D CA 1.099 55.121 54.000 0.037 0.000 0.833 799 D CB -0.330 40.507 40.800 0.062 0.000 0.961 799 D HN 0.400 nan 8.370 nan 0.000 0.470 800 A N 1.044 123.895 122.820 0.053 0.000 1.902 800 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 800 A C 2.383 180.023 177.584 0.094 0.000 1.181 800 A CA 0.808 52.887 52.037 0.070 0.000 0.623 800 A CB -0.774 18.270 19.000 0.074 0.000 0.818 800 A HN 0.180 nan 8.150 nan 0.000 0.443 801 L N -1.103 120.184 121.223 0.107 0.000 2.191 801 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 801 L C 2.532 179.487 176.870 0.141 0.000 1.103 801 L CA 1.664 56.602 54.840 0.162 0.000 0.769 801 L CB -0.282 41.867 42.059 0.150 0.000 0.908 801 L HN 0.564 nan 8.230 nan 0.000 0.438 802 E N 0.401 120.642 120.200 0.068 0.000 2.216 802 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 802 E C 1.027 177.612 176.600 -0.025 0.000 0.973 802 E CA 0.264 56.673 56.400 0.015 0.000 0.851 802 E CB 0.277 29.983 29.700 0.010 0.000 0.804 802 E HN 0.359 nan 8.360 nan 0.000 0.477 803 A N 1.286 124.107 122.820 0.001 0.000 2.598 803 A HA 0.123 4.443 4.320 -0.000 0.000 0.239 803 A C 0.035 177.591 177.584 -0.048 0.000 1.032 803 A CA 0.414 52.446 52.037 -0.009 0.000 0.760 803 A CB 0.201 19.212 19.000 0.019 0.000 0.946 803 A HN 0.121 nan 8.150 nan 0.000 0.512 804 V N 0.000 119.885 119.914 -0.048 0.000 2.409 804 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 804 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 804 V CB 0.000 31.779 31.823 -0.072 0.000 1.184 804 V HN 0.000 nan 8.190 nan 0.000 0.556