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 3m63_1_A DATA FIRST_RESID -5 DATA SEQUENCE SPEFRSMTAI EDILQITTDP SDTRGYSLLK SEEVPQGSTL GVDFIDTLLL DATA SEQUENCE YQLTENEKLD KPFEYLNDCF RRNQQQKRIT KNKPNAESLH STFQEIDRLV DATA SEQUENCE IGYGVVALQI ENFCMNGAFI NYITGIVSNV NSYTDFLSQI IQRAILEGTA DATA SEQUENCE LDLLNAVFPT LLEYCNKHVS HFDLNESVIY NNVLTIFELF VTFKPIAEIF DATA SEQUENCE TKIDGFFADY SCKPQDFERK TILGPILSLS PIEAAVAIRN YGDNLLRSKQ DATA SEQUENCE QTAMIHESLQ AEHKVVIDRL FFIVDKLVRG SLNSRTDMIS YFAHIANKNH DATA SEQUENCE LRRADHPPFK ELSSNGFMSN ITLLLVRFSQ PFLDISYKKI DKIDANYFNN DATA SEQUENCE PSLFIDLSGE TRLNSDFKEA DAFYDKNRKT ADSKPNFISD CFFLTLTYLH DATA SEQUENCE YGLGGTLSFE EKMGSEIKAL KEEIEKVKKI AANHDVFARF ITAQLSKMEK DATA SEQUENCE ALKTTESLRF ALQGFFAHRS LQLEVFDFIC GASTFLIRVV DPEHEFPFKQ DATA SEQUENCE IKLPLIPDQI XXXXVDNADF LRAHAPVPFK YYPEFVVEGP VNYSLYISKY DATA SEQUENCE QTSPIFRNPR LGSFVEFTTM VLRCPELVSN PHLKGKLVQL LSVGAMPLTD DATA SEQUENCE NSPGFMMDIF EHDELVNKNL LYALLDFYVI VEKTGXXSQF YDKFNSRYSI DATA SEQUENCE SIILEELYYK IPSYKNQLIW QSQNNADFFV RFVARMLNDL TFLLDEGLSN DATA SEQUENCE LAEVHNIQNE LDNRARGAPX XREEEDKELQ TRLASASRQA KSSCGLADKS DATA SEQUENCE MKLFEIYSKD IPAAFVTPEI VYRLASMLNY NLESLVGPKC GELKVKDPQS DATA SEQUENCE YSFNPKDLLK ALTTVYINLS EQSEFISAVA KDERSFNRNL FVRAVDILGR DATA SEQUENCE KTGLASPEFI EKLLNFANKA EEQRKADEEE DLEYGDVPDE FLDPLMYTIM DATA SEQUENCE KDPVILPASK MNIDRSTIKA HLLSDSTDPF NRMPLKLEDV TPNEELRQKI DATA SEQUENCE LCFKKQKKEE A 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 -5 S HA 0.000 nan 4.470 nan 0.000 0.327 -5 S C 0.000 174.672 174.600 0.120 0.000 1.055 -5 S CA 0.000 58.288 58.200 0.146 0.000 1.107 -5 S CB 0.000 63.373 63.200 0.288 0.000 0.593 -4 P HA 0.297 nan 4.420 nan 0.000 0.269 -4 P C 0.766 178.103 177.300 0.062 0.000 1.231 -4 P CA 0.189 63.329 63.100 0.067 0.000 0.865 -4 P CB 0.398 32.122 31.700 0.039 0.000 1.243 -3 E N -0.485 119.755 120.200 0.066 0.000 2.107 -3 E HA -0.088 4.252 4.350 -0.018 0.000 0.191 -3 E C 1.585 178.198 176.600 0.023 0.000 0.982 -3 E CA 0.606 57.017 56.400 0.019 0.000 0.809 -3 E CB -0.402 29.291 29.700 -0.011 0.000 0.756 -3 E HN 0.056 nan 8.360 nan 0.000 0.459 -2 F N 1.179 121.115 119.950 -0.023 0.000 2.069 -2 F HA -0.193 4.323 4.527 -0.018 0.000 0.298 -2 F C 2.581 178.368 175.800 -0.021 0.000 1.113 -2 F CA 1.446 59.432 58.000 -0.023 0.000 1.214 -2 F CB 0.063 39.051 39.000 -0.019 0.000 0.978 -2 F HN -0.068 nan 8.300 nan 0.000 0.474 -1 R N -0.770 119.862 120.500 0.220 0.000 2.127 -1 R HA -0.184 4.145 4.340 -0.018 0.000 0.238 -1 R C 2.432 178.765 176.300 0.055 0.000 1.134 -1 R CA 1.385 57.550 56.100 0.109 0.000 0.975 -1 R CB -0.600 29.737 30.300 0.061 0.000 0.865 -1 R HN 0.235 nan 8.270 nan 0.000 0.447 0 S N 0.950 116.663 115.700 0.022 0.000 2.325 0 S HA -0.187 4.272 4.470 -0.018 0.000 0.213 0 S C 2.001 176.592 174.600 -0.016 0.000 1.031 0 S CA 1.313 59.488 58.200 -0.041 0.000 0.984 0 S CB -0.226 62.939 63.200 -0.060 0.000 0.939 0 S HN 0.351 nan 8.310 nan 0.000 0.438 1 M N 1.344 120.937 119.600 -0.013 0.000 2.345 1 M HA -0.242 4.227 4.480 -0.018 0.000 0.253 1 M C 2.138 178.456 176.300 0.030 0.000 1.068 1 M CA 3.235 58.522 55.300 -0.023 0.000 1.069 1 M CB -1.429 31.113 32.600 -0.097 0.000 1.292 1 M HN 0.583 nan 8.290 nan 0.000 0.430 2 T N -1.480 113.126 114.554 0.087 0.000 2.904 2 T HA 0.141 4.480 4.350 -0.018 0.000 0.267 2 T C 1.871 176.633 174.700 0.104 0.000 1.059 2 T CA 1.328 63.498 62.100 0.115 0.000 1.137 2 T CB -0.745 68.212 68.868 0.149 0.000 0.879 2 T HN 0.614 nan 8.240 nan 0.000 0.467 3 A N 1.601 124.467 122.820 0.077 0.000 1.940 3 A HA 0.051 4.361 4.320 -0.018 0.000 0.219 3 A C 2.343 179.971 177.584 0.073 0.000 1.176 3 A CA 1.660 53.745 52.037 0.080 0.000 0.631 3 A CB -0.896 18.128 19.000 0.040 0.000 0.814 3 A HN 0.643 nan 8.150 nan 0.000 0.446 4 I N -0.381 120.216 120.570 0.044 0.000 2.179 4 I HA -0.290 3.870 4.170 -0.018 0.000 0.242 4 I C 2.514 178.664 176.117 0.055 0.000 1.088 4 I CA 1.707 63.032 61.300 0.041 0.000 1.357 4 I CB -0.565 37.454 38.000 0.032 0.000 1.051 4 I HN 0.426 nan 8.210 nan 0.000 0.409 5 E N 0.970 121.227 120.200 0.094 0.000 2.048 5 E HA -0.277 4.062 4.350 -0.018 0.000 0.202 5 E C 1.801 178.481 176.600 0.133 0.000 1.021 5 E CA 1.859 58.360 56.400 0.168 0.000 0.825 5 E CB -0.313 29.535 29.700 0.247 0.000 0.756 5 E HN 0.531 nan 8.360 nan 0.000 0.454 6 D N 0.383 120.896 120.400 0.188 0.000 2.144 6 D HA -0.130 4.499 4.640 -0.018 0.000 0.199 6 D C 2.078 178.335 176.300 -0.071 0.000 0.984 6 D CA 0.956 55.030 54.000 0.124 0.000 0.834 6 D CB -0.173 40.725 40.800 0.164 0.000 0.955 6 D HN 0.235 nan 8.370 nan 0.000 0.465 7 I N 0.383 120.932 120.570 -0.035 0.000 2.333 7 I HA -0.136 4.023 4.170 -0.018 0.000 0.246 7 I C 2.186 178.219 176.117 -0.139 0.000 1.106 7 I CA 0.607 61.863 61.300 -0.072 0.000 1.411 7 I CB 0.049 38.043 38.000 -0.010 0.000 1.082 7 I HN -0.099 nan 8.210 nan 0.000 0.420 8 L N 0.142 121.307 121.223 -0.096 0.000 2.558 8 L HA 0.058 4.387 4.340 -0.018 0.000 0.225 8 L C 0.198 177.047 176.870 -0.036 0.000 1.128 8 L CA 0.133 54.943 54.840 -0.050 0.000 0.868 8 L CB -0.375 41.721 42.059 0.062 0.000 1.006 8 L HN 0.334 nan 8.230 nan 0.000 0.454 9 Q N 0.970 120.561 119.800 -0.349 0.000 2.447 9 Q HA -0.191 4.139 4.340 -0.018 0.000 0.348 9 Q C -0.442 175.402 176.000 -0.259 0.000 1.421 9 Q CA 0.830 56.144 55.803 -0.816 0.000 0.978 9 Q CB -1.690 26.716 28.738 -0.553 0.000 1.191 9 Q HN 0.550 nan 8.270 nan 0.000 0.371 10 I N -0.426 120.125 120.570 -0.031 0.000 2.743 10 I HA 0.447 4.606 4.170 -0.018 0.000 0.292 10 I C -0.801 175.424 176.117 0.180 0.000 1.343 10 I CA -0.336 61.045 61.300 0.134 0.000 1.038 10 I CB 2.308 40.379 38.000 0.117 0.000 1.311 10 I HN 0.210 nan 8.210 nan 0.000 0.426 11 T N 3.274 117.914 114.554 0.144 0.000 2.887 11 T HA 0.398 4.737 4.350 -0.018 0.000 0.292 11 T C 0.115 174.815 174.700 -0.000 0.000 1.087 11 T CA -0.490 61.658 62.100 0.080 0.000 1.009 11 T CB 1.957 70.875 68.868 0.085 0.000 1.203 11 T HN 0.598 nan 8.240 nan 0.000 0.518 12 T N -0.068 114.465 114.554 -0.035 0.000 3.071 12 T HA 0.090 4.429 4.350 -0.018 0.000 0.239 12 T C 0.786 175.449 174.700 -0.061 0.000 0.997 12 T CA 0.422 62.477 62.100 -0.075 0.000 1.134 12 T CB 0.004 68.806 68.868 -0.110 0.000 0.928 12 T HN 0.538 nan 8.240 nan 0.000 0.453 13 D N 0.501 120.873 120.400 -0.047 0.000 2.417 13 D HA 0.152 4.781 4.640 -0.018 0.000 0.207 13 D C -1.484 174.800 176.300 -0.026 0.000 1.075 13 D CA 0.351 54.327 54.000 -0.041 0.000 0.851 13 D CB 0.747 41.519 40.800 -0.048 0.000 0.976 13 D HN 0.408 nan 8.370 nan 0.000 0.505 14 P HA 0.132 nan 4.420 nan 0.000 0.507 14 P C -0.597 176.693 177.300 -0.016 0.000 1.141 14 P CA 0.029 63.121 63.100 -0.014 0.000 2.123 14 P CB 0.560 32.257 31.700 -0.005 0.000 1.563 15 S N 2.416 118.107 115.700 -0.016 0.000 4.183 15 S HA 0.451 4.911 4.470 -0.018 0.000 0.195 15 S C -0.453 174.134 174.600 -0.021 0.000 1.421 15 S CA 0.181 58.373 58.200 -0.014 0.000 0.920 15 S CB -0.688 62.506 63.200 -0.010 0.000 1.525 15 S HN 0.381 nan 8.310 nan 0.000 0.447 16 D N -1.689 118.690 120.400 -0.035 0.000 2.954 16 D HA 0.289 4.918 4.640 -0.018 0.000 0.260 16 D C 0.231 176.481 176.300 -0.083 0.000 1.072 16 D CA -0.439 53.533 54.000 -0.046 0.000 0.735 16 D CB -0.222 40.556 40.800 -0.036 0.000 1.934 16 D HN 0.061 nan 8.370 nan 0.000 0.458 17 T N -1.182 113.320 114.554 -0.086 0.000 12.223 17 T HA -0.102 4.237 4.350 -0.018 0.000 0.381 17 T C -0.113 174.504 174.700 -0.138 0.000 1.707 17 T CA 0.513 62.548 62.100 -0.109 0.000 2.831 17 T CB -0.879 67.914 68.868 -0.124 0.000 2.343 17 T HN 0.783 nan 8.240 nan 0.000 0.325 18 R N 1.329 121.680 120.500 -0.250 0.000 2.854 18 R HA 0.710 5.039 4.340 -0.018 0.000 0.271 18 R C 1.151 177.379 176.300 -0.120 0.000 0.994 18 R CA -0.144 55.811 56.100 -0.241 0.000 0.945 18 R CB 0.913 30.985 30.300 -0.381 0.000 1.194 18 R HN 0.389 nan 8.270 nan 0.000 0.476 19 G N 1.621 110.482 108.800 0.101 0.000 2.736 19 G HA2 -0.165 3.784 3.960 -0.018 0.000 0.206 19 G HA3 -0.165 3.784 3.960 -0.018 0.000 0.206 19 G C -0.169 174.903 174.900 0.287 0.000 1.158 19 G CA 0.618 45.824 45.100 0.176 0.000 0.801 19 G HN 0.306 nan 8.290 nan 0.000 0.528 20 Y N 1.041 121.361 120.300 0.034 0.000 2.426 20 Y HA 0.315 4.854 4.550 -0.018 0.000 0.344 20 Y C 1.171 177.093 175.900 0.036 0.000 1.256 20 Y CA -1.568 56.558 58.100 0.043 0.000 1.451 20 Y CB 0.365 38.853 38.460 0.045 0.000 1.342 20 Y HN 0.099 nan 8.280 nan 0.000 0.600 21 S N 1.710 117.530 115.700 0.200 0.000 2.462 21 S HA 0.645 5.104 4.470 -0.018 0.000 0.294 21 S C -0.881 173.794 174.600 0.124 0.000 1.144 21 S CA -1.001 57.277 58.200 0.131 0.000 1.088 21 S CB 0.612 63.871 63.200 0.098 0.000 1.009 21 S HN 0.361 nan 8.310 nan 0.000 0.484 22 L N 3.115 124.391 121.223 0.087 0.000 2.367 22 L HA 0.346 4.675 4.340 -0.018 0.000 0.275 22 L C 0.381 177.247 176.870 -0.008 0.000 1.129 22 L CA -0.254 54.607 54.840 0.036 0.000 0.839 22 L CB -0.085 41.986 42.059 0.020 0.000 1.133 22 L HN 0.709 nan 8.230 nan 0.000 0.453 23 L N 4.554 125.690 121.223 -0.145 0.000 2.477 23 L HA 0.163 4.492 4.340 -0.018 0.000 0.272 23 L C -0.145 176.528 176.870 -0.328 0.000 1.157 23 L CA 0.245 54.798 54.840 -0.477 0.000 0.889 23 L CB -0.120 41.654 42.059 -0.475 0.000 1.158 23 L HN 0.566 nan 8.230 nan 0.000 0.473 24 K N 2.883 123.094 120.400 -0.315 0.000 2.345 24 K HA 0.297 4.607 4.320 -0.018 0.000 0.255 24 K C -0.078 176.526 176.600 0.006 0.000 0.934 24 K CA -0.249 56.007 56.287 -0.052 0.000 0.801 24 K CB 2.035 34.588 32.500 0.089 0.000 1.137 24 K HN 0.639 nan 8.250 nan 0.000 0.424 25 S N 0.882 116.579 115.700 -0.005 0.000 2.843 25 S HA 0.117 4.577 4.470 -0.018 0.000 0.249 25 S C 0.065 174.642 174.600 -0.039 0.000 1.047 25 S CA -0.513 57.667 58.200 -0.034 0.000 1.042 25 S CB 0.302 63.499 63.200 -0.005 0.000 0.936 25 S HN 0.432 nan 8.310 nan 0.000 0.531 26 E N 2.153 122.322 120.200 -0.052 0.000 2.558 26 E HA -0.005 4.335 4.350 -0.018 0.000 0.255 26 E C 0.686 177.275 176.600 -0.019 0.000 0.968 26 E CA 0.350 56.736 56.400 -0.023 0.000 0.939 26 E CB 0.509 30.197 29.700 -0.019 0.000 0.921 26 E HN 0.590 nan 8.360 nan 0.000 0.477 27 E N 2.304 122.503 120.200 -0.001 0.000 2.047 27 E HA -0.149 4.190 4.350 -0.018 0.000 0.191 27 E C 1.875 178.487 176.600 0.020 0.000 0.987 27 E CA 0.900 57.301 56.400 0.002 0.000 0.799 27 E CB 0.204 29.908 29.700 0.006 0.000 0.752 27 E HN 0.330 nan 8.360 nan 0.000 0.449 28 V N 1.314 121.254 119.914 0.044 0.000 2.255 28 V HA -0.189 3.920 4.120 -0.018 0.000 0.247 28 V C -1.301 174.888 176.094 0.158 0.000 1.051 28 V CA 1.675 64.031 62.300 0.093 0.000 1.018 28 V CB -1.240 30.633 31.823 0.083 0.000 0.641 28 V HN 0.217 nan 8.190 nan 0.000 0.445 29 P HA 0.130 nan 4.420 nan 0.000 0.235 29 P C 0.236 177.515 177.300 -0.036 0.000 1.725 29 P CA 0.502 63.667 63.100 0.109 0.000 0.894 29 P CB -0.179 31.588 31.700 0.113 0.000 1.704 30 Q N -0.239 119.536 119.800 -0.041 0.000 2.157 30 Q HA 0.249 4.578 4.340 -0.018 0.000 0.229 30 Q C 0.656 176.599 176.000 -0.096 0.000 0.827 30 Q CA -0.391 55.367 55.803 -0.076 0.000 1.055 30 Q CB 0.683 29.389 28.738 -0.053 0.000 1.157 30 Q HN 0.212 nan 8.270 nan 0.000 0.482 31 G N -0.284 108.432 108.800 -0.139 0.000 2.355 31 G HA2 0.107 4.056 3.960 -0.018 0.000 0.276 31 G HA3 0.107 4.056 3.960 -0.018 0.000 0.276 31 G C 0.136 174.880 174.900 -0.260 0.000 1.198 31 G CA -0.264 44.722 45.100 -0.189 0.000 0.876 31 G HN 0.095 nan 8.290 nan 0.000 0.478 32 S N 1.572 117.155 115.700 -0.195 0.000 2.763 32 S HA 0.112 4.571 4.470 -0.018 0.000 0.237 32 S C 1.575 176.023 174.600 -0.253 0.000 0.966 32 S CA -0.167 57.913 58.200 -0.199 0.000 1.017 32 S CB -0.266 62.853 63.200 -0.135 0.000 0.780 32 S HN 0.760 nan 8.310 nan 0.000 0.476 33 T N 0.779 115.150 114.554 -0.304 0.000 4.042 33 T HA 0.640 4.979 4.350 -0.018 0.000 0.252 33 T C 0.309 174.780 174.700 -0.381 0.000 0.951 33 T CA -0.415 61.488 62.100 -0.328 0.000 1.528 33 T CB 0.135 68.846 68.868 -0.262 0.000 2.404 33 T HN 0.269 nan 8.240 nan 0.000 0.398 34 L N -2.030 118.949 121.223 -0.406 0.000 3.105 34 L HA 0.435 4.764 4.340 -0.018 0.000 0.261 34 L C -0.830 175.960 176.870 -0.133 0.000 0.911 34 L CA -0.095 54.518 54.840 -0.379 0.000 1.082 34 L CB 0.209 42.127 42.059 -0.236 0.000 1.647 34 L HN 1.186 nan 8.230 nan 0.000 0.388 35 G N -0.829 107.975 108.800 0.007 0.000 2.347 35 G HA2 0.123 4.073 3.960 -0.018 0.000 0.341 35 G HA3 0.123 4.073 3.960 -0.018 0.000 0.341 35 G C 0.098 175.091 174.900 0.155 0.000 1.287 35 G CA -0.300 44.842 45.100 0.071 0.000 0.984 35 G HN 0.749 nan 8.290 nan 0.000 0.526 36 V N 0.545 120.512 119.914 0.088 0.000 2.453 36 V HA -0.143 3.966 4.120 -0.018 0.000 0.252 36 V C 2.311 178.449 176.094 0.072 0.000 1.068 36 V CA 3.144 65.479 62.300 0.058 0.000 1.070 36 V CB -0.752 31.081 31.823 0.016 0.000 0.664 36 V HN 0.883 nan 8.190 nan 0.000 0.461 37 D N -2.043 118.406 120.400 0.081 0.000 2.349 37 D HA 0.022 4.651 4.640 -0.018 0.000 0.214 37 D C 1.221 177.427 176.300 -0.157 0.000 1.063 37 D CA 0.075 54.051 54.000 -0.041 0.000 0.847 37 D CB -0.310 40.420 40.800 -0.116 0.000 0.933 37 D HN 0.416 nan 8.370 nan 0.000 0.513 38 F N 0.316 120.273 119.950 0.011 0.000 2.776 38 F HA 0.360 4.876 4.527 -0.018 0.000 0.300 38 F C 1.838 177.661 175.800 0.037 0.000 1.116 38 F CA -0.148 57.861 58.000 0.015 0.000 1.375 38 F CB -0.058 38.940 39.000 -0.005 0.000 1.109 38 F HN -0.064 nan 8.300 nan 0.000 0.585 39 I N -0.165 120.513 120.570 0.180 0.000 2.226 39 I HA -0.276 3.884 4.170 -0.018 0.000 0.245 39 I C 2.318 178.535 176.117 0.165 0.000 1.100 39 I CA 1.377 62.769 61.300 0.153 0.000 1.374 39 I CB -0.315 37.756 38.000 0.118 0.000 1.057 39 I HN 0.035 nan 8.210 nan 0.000 0.413 40 D N 0.970 121.461 120.400 0.151 0.000 2.106 40 D HA -0.191 4.438 4.640 -0.018 0.000 0.191 40 D C 2.100 178.498 176.300 0.163 0.000 0.997 40 D CA 2.100 56.219 54.000 0.198 0.000 0.834 40 D CB -0.070 40.820 40.800 0.150 0.000 0.956 40 D HN 0.217 nan 8.370 nan 0.000 0.448 41 T N 0.268 114.894 114.554 0.120 0.000 2.746 41 T HA -0.099 4.241 4.350 -0.018 0.000 0.267 41 T C 2.215 177.001 174.700 0.144 0.000 1.039 41 T CA 0.978 63.147 62.100 0.114 0.000 1.142 41 T CB -0.351 68.576 68.868 0.099 0.000 0.866 41 T HN 0.139 nan 8.240 nan 0.000 0.444 42 L N 0.408 121.726 121.223 0.160 0.000 1.989 42 L HA -0.075 4.254 4.340 -0.018 0.000 0.211 42 L C 2.568 179.560 176.870 0.204 0.000 1.071 42 L CA 1.322 56.265 54.840 0.172 0.000 0.749 42 L CB -0.744 41.408 42.059 0.154 0.000 0.890 42 L HN 0.207 nan 8.230 nan 0.000 0.431 43 L N -0.789 120.532 121.223 0.162 0.000 2.046 43 L HA -0.245 4.084 4.340 -0.018 0.000 0.208 43 L C 2.547 179.393 176.870 -0.039 0.000 1.077 43 L CA 1.217 56.120 54.840 0.106 0.000 0.747 43 L CB -0.461 41.672 42.059 0.122 0.000 0.896 43 L HN 0.261 nan 8.230 nan 0.000 0.432 44 L N -1.516 119.684 121.223 -0.038 0.000 2.046 44 L HA -0.274 4.055 4.340 -0.018 0.000 0.208 44 L C 2.631 179.451 176.870 -0.083 0.000 1.077 44 L CA 1.401 56.173 54.840 -0.114 0.000 0.747 44 L CB -0.587 41.467 42.059 -0.009 0.000 0.896 44 L HN 0.245 nan 8.230 nan 0.000 0.432 45 Y N 0.493 120.740 120.300 -0.088 0.000 2.114 45 Y HA -0.314 4.225 4.550 -0.018 0.000 0.284 45 Y C 2.773 178.603 175.900 -0.116 0.000 1.143 45 Y CA 1.555 59.605 58.100 -0.085 0.000 1.135 45 Y CB -0.268 38.169 38.460 -0.038 0.000 0.980 45 Y HN 0.119 nan 8.280 nan 0.000 0.499 46 Q N 0.374 120.107 119.800 -0.111 0.000 2.173 46 Q HA -0.214 4.115 4.340 -0.018 0.000 0.208 46 Q C 2.239 178.032 176.000 -0.344 0.000 0.989 46 Q CA 2.323 57.966 55.803 -0.267 0.000 0.872 46 Q CB -0.460 28.254 28.738 -0.040 0.000 0.909 46 Q HN 0.632 nan 8.270 nan 0.000 0.420 47 L N -1.084 119.972 121.223 -0.278 0.000 2.515 47 L HA 0.042 4.371 4.340 -0.018 0.000 0.223 47 L C 2.084 178.703 176.870 -0.418 0.000 1.079 47 L CA 1.160 55.827 54.840 -0.288 0.000 0.857 47 L CB 0.096 42.034 42.059 -0.202 0.000 1.050 47 L HN 0.217 nan 8.230 nan 0.000 0.476 48 T N -5.065 109.225 114.554 -0.440 0.000 2.987 48 T HA 0.093 4.432 4.350 -0.018 0.000 0.248 48 T C 1.400 175.930 174.700 -0.284 0.000 0.997 48 T CA -0.023 61.832 62.100 -0.408 0.000 1.013 48 T CB 0.210 68.808 68.868 -0.450 0.000 1.077 48 T HN 0.041 nan 8.240 nan 0.000 0.483 49 E N 2.572 122.592 120.200 -0.300 0.000 2.489 49 E HA 0.158 4.497 4.350 -0.018 0.000 0.193 49 E C 0.780 177.155 176.600 -0.375 0.000 1.057 49 E CA 0.021 56.266 56.400 -0.257 0.000 0.866 49 E CB 0.000 29.628 29.700 -0.121 0.000 0.916 49 E HN 0.672 nan 8.360 nan 0.000 0.500 50 N N 0.743 119.177 118.700 -0.443 0.000 1.732 50 N HA -0.357 4.372 4.740 -0.018 0.000 0.111 50 N C 0.160 175.441 175.510 -0.383 0.000 0.804 50 N CA 1.954 54.782 53.050 -0.369 0.000 0.845 50 N CB -0.410 37.947 38.487 -0.217 0.000 0.814 50 N HN 0.243 nan 8.380 nan 0.000 0.729 51 E N -1.569 118.495 120.200 -0.227 0.000 0.509 51 E HA 0.212 4.551 4.350 -0.018 0.000 0.135 51 E C -0.938 175.605 176.600 -0.095 0.000 2.486 51 E CA -0.908 55.404 56.400 -0.146 0.000 1.468 51 E CB -0.243 29.367 29.700 -0.150 0.000 0.620 51 E HN 0.365 nan 8.360 nan 0.000 0.885 52 K N 1.013 121.370 120.400 -0.071 0.000 2.827 52 K HA 0.323 4.632 4.320 -0.018 0.000 0.222 52 K C -0.323 176.237 176.600 -0.067 0.000 1.114 52 K CA -0.197 56.060 56.287 -0.050 0.000 1.206 52 K CB -0.446 32.041 32.500 -0.022 0.000 1.035 52 K HN 0.303 nan 8.250 nan 0.000 0.464 53 L N 2.989 124.141 121.223 -0.119 0.000 2.415 53 L HA 0.025 4.354 4.340 -0.018 0.000 0.269 53 L C 1.138 177.969 176.870 -0.064 0.000 1.244 53 L CA 0.222 54.974 54.840 -0.147 0.000 1.113 53 L CB 0.078 41.969 42.059 -0.279 0.000 1.352 53 L HN 0.164 nan 8.230 nan 0.000 0.433 54 D N 1.512 121.907 120.400 -0.008 0.000 2.327 54 D HA -0.094 4.535 4.640 -0.018 0.000 0.205 54 D C 0.224 176.589 176.300 0.108 0.000 0.989 54 D CA 0.400 54.424 54.000 0.041 0.000 0.873 54 D CB 0.275 41.098 40.800 0.038 0.000 0.955 54 D HN 0.347 nan 8.370 nan 0.000 0.515 55 K N 1.561 122.034 120.400 0.122 0.000 2.602 55 K HA 0.234 4.543 4.320 -0.018 0.000 0.201 55 K C -1.891 174.829 176.600 0.199 0.000 1.070 55 K CA -1.623 54.787 56.287 0.204 0.000 1.026 55 K CB 2.104 34.723 32.500 0.198 0.000 1.534 55 K HN -0.054 nan 8.250 nan 0.000 0.560 56 P HA -0.194 nan 4.420 nan 0.000 0.217 56 P C 1.020 178.401 177.300 0.135 0.000 1.150 56 P CA 0.976 64.150 63.100 0.124 0.000 0.832 56 P CB 0.160 31.911 31.700 0.085 0.000 0.787 57 F N 1.325 121.174 119.950 -0.169 0.000 2.259 57 F HA -0.052 4.464 4.527 -0.018 0.000 0.298 57 F C 2.404 178.317 175.800 0.187 0.000 1.088 57 F CA 1.178 59.126 58.000 -0.087 0.000 1.358 57 F CB -0.322 38.462 39.000 -0.360 0.000 1.040 57 F HN -0.110 nan 8.300 nan 0.000 0.505 58 E N -0.981 119.391 120.200 0.286 0.000 2.106 58 E HA -0.300 4.040 4.350 -0.018 0.000 0.192 58 E C 2.168 178.780 176.600 0.019 0.000 0.984 58 E CA 1.362 57.896 56.400 0.223 0.000 0.806 58 E CB -0.509 29.355 29.700 0.272 0.000 0.750 58 E HN 0.599 nan 8.360 nan 0.000 0.458 59 Y N 1.319 121.586 120.300 -0.055 0.000 2.163 59 Y HA -0.188 4.351 4.550 -0.018 0.000 0.288 59 Y C 1.925 177.717 175.900 -0.180 0.000 1.136 59 Y CA 1.591 59.633 58.100 -0.097 0.000 1.147 59 Y CB -0.364 38.064 38.460 -0.054 0.000 0.987 59 Y HN 0.002 nan 8.280 nan 0.000 0.509 60 L N 0.419 121.471 121.223 -0.286 0.000 1.997 60 L HA -0.331 3.998 4.340 -0.018 0.000 0.216 60 L C 2.385 178.749 176.870 -0.843 0.000 1.074 60 L CA 2.164 56.726 54.840 -0.464 0.000 0.763 60 L CB -0.923 41.010 42.059 -0.210 0.000 0.890 60 L HN 0.330 nan 8.230 nan 0.000 0.434 61 N N -0.138 118.026 118.700 -0.894 0.000 2.166 61 N HA -0.203 4.527 4.740 -0.018 0.000 0.186 61 N C 1.423 176.551 175.510 -0.637 0.000 1.019 61 N CA 1.524 53.944 53.050 -1.049 0.000 0.856 61 N CB 0.001 38.059 38.487 -0.715 0.000 0.993 61 N HN 0.237 nan 8.380 nan 0.000 0.426 62 D N -0.709 119.411 120.400 -0.467 0.000 2.224 62 D HA -0.049 4.580 4.640 -0.018 0.000 0.205 62 D C 1.759 177.843 176.300 -0.360 0.000 0.965 62 D CA 0.435 54.231 54.000 -0.339 0.000 0.852 62 D CB -0.545 40.116 40.800 -0.232 0.000 0.947 62 D HN 0.358 nan 8.370 nan 0.000 0.494 63 C N 0.317 119.324 119.300 -0.489 0.000 2.425 63 C HA -0.115 4.334 4.460 -0.018 0.000 0.277 63 C C 2.447 177.260 174.990 -0.294 0.000 1.280 63 C CA 0.083 58.837 59.018 -0.440 0.000 1.744 63 C CB -1.115 26.282 27.740 -0.571 0.000 1.989 63 C HN 0.283 nan 8.230 nan 0.000 0.491 64 F N 1.546 121.184 119.950 -0.521 0.000 2.098 64 F HA -0.060 4.456 4.527 -0.018 0.000 0.294 64 F C 2.533 178.158 175.800 -0.292 0.000 1.107 64 F CA 1.549 59.302 58.000 -0.412 0.000 1.234 64 F CB -0.449 38.164 39.000 -0.645 0.000 1.002 64 F HN -0.026 nan 8.300 nan 0.000 0.472 65 R N 0.108 120.465 120.500 -0.239 0.000 2.105 65 R HA -0.124 4.205 4.340 -0.018 0.000 0.239 65 R C 2.399 178.538 176.300 -0.268 0.000 1.135 65 R CA 1.592 57.539 56.100 -0.254 0.000 0.967 65 R CB -0.292 29.906 30.300 -0.169 0.000 0.861 65 R HN 0.256 nan 8.270 nan 0.000 0.442 66 R N -0.432 119.922 120.500 -0.243 0.000 2.092 66 R HA -0.098 4.231 4.340 -0.018 0.000 0.231 66 R C 1.918 178.087 176.300 -0.219 0.000 1.119 66 R CA 1.568 57.550 56.100 -0.196 0.000 0.970 66 R CB -0.301 29.898 30.300 -0.168 0.000 0.864 66 R HN 0.208 nan 8.270 nan 0.000 0.440 67 N N 0.225 118.760 118.700 -0.276 0.000 2.142 67 N HA -0.154 4.575 4.740 -0.018 0.000 0.186 67 N C 1.682 176.935 175.510 -0.428 0.000 1.023 67 N CA 1.137 54.017 53.050 -0.283 0.000 0.852 67 N CB 0.140 38.480 38.487 -0.244 0.000 0.998 67 N HN 0.053 nan 8.380 nan 0.000 0.424 68 Q N -0.009 119.486 119.800 -0.509 0.000 2.119 68 Q HA -0.123 4.206 4.340 -0.018 0.000 0.201 68 Q C 1.836 177.628 176.000 -0.347 0.000 0.972 68 Q CA 1.079 56.605 55.803 -0.463 0.000 0.847 68 Q CB -0.514 27.936 28.738 -0.479 0.000 0.903 68 Q HN 0.458 nan 8.270 nan 0.000 0.433 69 Q N 0.273 119.899 119.800 -0.290 0.000 2.172 69 Q HA -0.058 4.272 4.340 -0.018 0.000 0.200 69 Q C 1.861 177.721 176.000 -0.235 0.000 0.964 69 Q CA 1.189 56.863 55.803 -0.215 0.000 0.855 69 Q CB 0.127 28.771 28.738 -0.157 0.000 0.918 69 Q HN 0.258 nan 8.270 nan 0.000 0.444 70 Q N -0.340 119.281 119.800 -0.298 0.000 2.245 70 Q HA -0.055 4.275 4.340 -0.018 0.000 0.201 70 Q C 1.695 177.302 176.000 -0.656 0.000 0.955 70 Q CA 0.797 56.410 55.803 -0.317 0.000 0.870 70 Q CB 0.176 28.828 28.738 -0.143 0.000 0.945 70 Q HN 0.375 nan 8.270 nan 0.000 0.461 71 K N 0.472 120.349 120.400 -0.873 0.000 2.002 71 K HA -0.165 4.144 4.320 -0.018 0.000 0.209 71 K C 2.171 178.556 176.600 -0.358 0.000 1.048 71 K CA 1.281 57.093 56.287 -0.791 0.000 0.930 71 K CB -0.152 31.999 32.500 -0.581 0.000 0.714 71 K HN 0.018 nan 8.250 nan 0.000 0.438 72 R N 1.021 121.362 120.500 -0.264 0.000 2.070 72 R HA -0.148 4.181 4.340 -0.018 0.000 0.233 72 R C 2.166 178.400 176.300 -0.110 0.000 1.137 72 R CA 1.552 57.561 56.100 -0.152 0.000 0.945 72 R CB -0.343 29.880 30.300 -0.128 0.000 0.845 72 R HN 0.038 nan 8.270 nan 0.000 0.430 73 I N 0.547 121.050 120.570 -0.112 0.000 2.315 73 I HA -0.281 3.878 4.170 -0.018 0.000 0.251 73 I C 2.274 178.375 176.117 -0.027 0.000 1.125 73 I CA 1.643 62.908 61.300 -0.059 0.000 1.392 73 I CB -0.286 37.687 38.000 -0.045 0.000 1.065 73 I HN 0.262 nan 8.210 nan 0.000 0.424 74 T N -0.465 114.068 114.554 -0.035 0.000 2.809 74 T HA -0.116 4.223 4.350 -0.018 0.000 0.260 74 T C 2.045 176.770 174.700 0.041 0.000 1.039 74 T CA 0.690 62.818 62.100 0.047 0.000 1.141 74 T CB -0.037 68.927 68.868 0.160 0.000 0.869 74 T HN 0.144 nan 8.240 nan 0.000 0.437 75 K N 1.156 121.558 120.400 0.004 0.000 2.117 75 K HA -0.204 4.105 4.320 -0.018 0.000 0.215 75 K C 1.148 177.756 176.600 0.014 0.000 1.053 75 K CA 1.789 58.082 56.287 0.010 0.000 0.935 75 K CB -0.310 32.178 32.500 -0.020 0.000 0.719 75 K HN 0.224 nan 8.250 nan 0.000 0.460 76 N N 0.198 118.901 118.700 0.005 0.000 2.251 76 N HA 0.047 4.776 4.740 -0.018 0.000 0.217 76 N C -0.496 175.021 175.510 0.011 0.000 1.124 76 N CA 0.213 53.266 53.050 0.005 0.000 0.843 76 N CB 0.619 39.104 38.487 -0.004 0.000 1.024 76 N HN 0.057 nan 8.380 nan 0.000 0.501 77 K N 0.026 120.440 120.400 0.022 0.000 2.221 77 K HA 0.322 4.631 4.320 -0.018 0.000 0.243 77 K C -1.544 175.072 176.600 0.028 0.000 0.968 77 K CA -2.054 54.248 56.287 0.024 0.000 0.846 77 K CB 1.520 34.040 32.500 0.032 0.000 1.141 77 K HN -0.244 nan 8.250 nan 0.000 0.434 78 P HA -0.270 nan 4.420 nan 0.000 0.230 78 P C 0.196 177.511 177.300 0.025 0.000 1.124 78 P CA 1.770 64.881 63.100 0.019 0.000 0.985 78 P CB 0.178 31.888 31.700 0.017 0.000 0.774 79 N N -3.120 115.601 118.700 0.035 0.000 2.672 79 N HA 0.332 5.061 4.740 -0.018 0.000 0.295 79 N C 0.730 176.276 175.510 0.061 0.000 1.924 79 N CA 0.340 53.413 53.050 0.039 0.000 0.851 79 N CB -0.028 38.477 38.487 0.030 0.000 1.281 79 N HN -0.082 nan 8.380 nan 0.000 0.494 80 A N 0.521 123.385 122.820 0.075 0.000 1.929 80 A HA -0.248 4.062 4.320 -0.018 0.000 0.221 80 A C 1.919 179.583 177.584 0.133 0.000 1.211 80 A CA 1.867 53.976 52.037 0.120 0.000 0.657 80 A CB -0.441 18.619 19.000 0.101 0.000 0.827 80 A HN 0.635 nan 8.150 nan 0.000 0.462 81 E N -0.161 120.088 120.200 0.080 0.000 2.077 81 E HA -0.182 4.158 4.350 -0.018 0.000 0.193 81 E C 2.279 178.926 176.600 0.078 0.000 0.989 81 E CA 1.522 57.962 56.400 0.066 0.000 0.800 81 E CB -0.113 29.596 29.700 0.014 0.000 0.746 81 E HN 0.827 nan 8.360 nan 0.000 0.452 82 S N 0.135 115.863 115.700 0.047 0.000 2.419 82 S HA -0.135 4.325 4.470 -0.018 0.000 0.233 82 S C 1.713 176.301 174.600 -0.020 0.000 1.016 82 S CA 0.632 58.844 58.200 0.020 0.000 0.974 82 S CB -0.091 63.117 63.200 0.013 0.000 0.786 82 S HN 0.131 nan 8.310 nan 0.000 0.492 83 L N 1.302 122.495 121.223 -0.051 0.000 2.558 83 L HA 0.217 4.546 4.340 -0.018 0.000 0.225 83 L C 2.257 178.912 176.870 -0.358 0.000 1.128 83 L CA 0.635 55.306 54.840 -0.282 0.000 0.868 83 L CB -1.000 40.811 42.059 -0.413 0.000 1.006 83 L HN 0.475 nan 8.230 nan 0.000 0.454 84 H N -1.008 118.000 119.070 -0.104 0.000 2.352 84 H HA -0.178 4.367 4.556 -0.018 0.000 0.299 84 H C 2.202 177.520 175.328 -0.017 0.000 1.097 84 H CA 1.766 57.834 56.048 0.033 0.000 1.311 84 H CB 0.369 30.172 29.762 0.069 0.000 1.377 84 H HN 0.297 nan 8.280 nan 0.000 0.504 85 S N -0.683 115.003 115.700 -0.024 0.000 2.387 85 S HA -0.144 4.315 4.470 -0.018 0.000 0.230 85 S C 2.063 176.581 174.600 -0.138 0.000 1.035 85 S CA 1.889 60.054 58.200 -0.059 0.000 1.014 85 S CB -0.279 62.918 63.200 -0.005 0.000 0.836 85 S HN 0.609 nan 8.310 nan 0.000 0.466 86 T N 1.349 115.758 114.554 -0.241 0.000 2.770 86 T HA 0.032 4.371 4.350 -0.018 0.000 0.263 86 T C 1.367 175.940 174.700 -0.211 0.000 1.039 86 T CA 1.300 63.240 62.100 -0.268 0.000 1.142 86 T CB -0.450 68.179 68.868 -0.398 0.000 0.868 86 T HN 0.408 nan 8.240 nan 0.000 0.435 87 F N 2.036 121.927 119.950 -0.098 0.000 2.095 87 F HA -0.077 4.440 4.527 -0.018 0.000 0.298 87 F C 2.766 178.482 175.800 -0.141 0.000 1.104 87 F CA 0.517 58.443 58.000 -0.123 0.000 1.232 87 F CB -1.210 37.707 39.000 -0.139 0.000 0.987 87 F HN 0.040 nan 8.300 nan 0.000 0.475 88 Q N 0.327 120.094 119.800 -0.055 0.000 2.118 88 Q HA -0.293 4.036 4.340 -0.018 0.000 0.211 88 Q C 2.258 178.249 176.000 -0.016 0.000 0.998 88 Q CA 2.279 58.026 55.803 -0.092 0.000 0.872 88 Q CB -0.564 28.065 28.738 -0.183 0.000 0.925 88 Q HN 0.449 nan 8.270 nan 0.000 0.414 89 E N 0.185 120.376 120.200 -0.015 0.000 2.107 89 E HA -0.048 4.291 4.350 -0.018 0.000 0.191 89 E C 1.956 178.585 176.600 0.047 0.000 0.982 89 E CA 0.597 57.005 56.400 0.014 0.000 0.809 89 E CB -0.198 29.507 29.700 0.008 0.000 0.756 89 E HN 0.355 nan 8.360 nan 0.000 0.459 90 I N 0.831 121.434 120.570 0.055 0.000 2.226 90 I HA -0.252 3.907 4.170 -0.018 0.000 0.245 90 I C 1.844 178.021 176.117 0.101 0.000 1.100 90 I CA 1.264 62.610 61.300 0.077 0.000 1.374 90 I CB -0.274 37.768 38.000 0.069 0.000 1.057 90 I HN 0.123 nan 8.210 nan 0.000 0.413 91 D N 0.624 121.082 120.400 0.097 0.000 2.092 91 D HA -0.220 4.409 4.640 -0.018 0.000 0.193 91 D C 2.208 178.591 176.300 0.140 0.000 0.994 91 D CA 1.153 55.243 54.000 0.149 0.000 0.828 91 D CB -0.303 40.560 40.800 0.105 0.000 0.963 91 D HN 0.187 nan 8.370 nan 0.000 0.450 92 R N 0.296 120.841 120.500 0.075 0.000 2.113 92 R HA -0.163 4.166 4.340 -0.018 0.000 0.244 92 R C 2.303 178.611 176.300 0.013 0.000 1.142 92 R CA 1.311 57.431 56.100 0.034 0.000 0.953 92 R CB -0.369 29.939 30.300 0.012 0.000 0.860 92 R HN 0.232 nan 8.270 nan 0.000 0.438 93 L N -0.396 120.855 121.223 0.048 0.000 2.298 93 L HA -0.003 4.327 4.340 -0.018 0.000 0.209 93 L C 2.402 179.363 176.870 0.151 0.000 1.084 93 L CA 0.022 54.881 54.840 0.031 0.000 0.816 93 L CB 0.013 42.158 42.059 0.144 0.000 0.967 93 L HN 0.015 nan 8.230 nan 0.000 0.460 94 V N 0.558 120.593 119.914 0.202 0.000 2.295 94 V HA -0.300 3.809 4.120 -0.018 0.000 0.246 94 V C 2.327 178.619 176.094 0.330 0.000 1.049 94 V CA 1.975 64.426 62.300 0.252 0.000 1.024 94 V CB -0.210 31.710 31.823 0.162 0.000 0.648 94 V HN 0.280 nan 8.190 nan 0.000 0.447 95 I N 0.447 121.167 120.570 0.251 0.000 2.142 95 I HA -0.169 3.990 4.170 -0.018 0.000 0.240 95 I C 2.632 178.720 176.117 -0.048 0.000 1.078 95 I CA 1.803 63.154 61.300 0.084 0.000 1.343 95 I CB -0.994 37.022 38.000 0.027 0.000 1.046 95 I HN 0.383 nan 8.210 nan 0.000 0.405 96 G N -0.069 108.667 108.800 -0.107 0.000 2.469 96 G HA2 -0.278 3.671 3.960 -0.018 0.000 0.219 96 G HA3 -0.278 3.671 3.960 -0.018 0.000 0.219 96 G C 1.425 176.163 174.900 -0.269 0.000 1.150 96 G CA 0.939 45.887 45.100 -0.253 0.000 0.763 96 G HN 0.314 nan 8.290 nan 0.000 0.561 97 Y N 1.054 121.370 120.300 0.027 0.000 2.475 97 Y HA 0.183 4.722 4.550 -0.018 0.000 0.289 97 Y C 2.875 178.808 175.900 0.056 0.000 1.121 97 Y CA -0.101 58.009 58.100 0.017 0.000 1.257 97 Y CB -0.595 37.961 38.460 0.159 0.000 1.026 97 Y HN 0.178 nan 8.280 nan 0.000 0.555 98 G N -0.162 108.776 108.800 0.231 0.000 2.446 98 G HA2 -0.224 3.725 3.960 -0.018 0.000 0.217 98 G HA3 -0.224 3.725 3.960 -0.018 0.000 0.217 98 G C 1.811 176.767 174.900 0.094 0.000 1.168 98 G CA 1.480 46.694 45.100 0.191 0.000 0.771 98 G HN 0.252 nan 8.290 nan 0.000 0.551 99 V N 0.583 120.462 119.914 -0.057 0.000 2.261 99 V HA -0.197 3.913 4.120 -0.018 0.000 0.246 99 V C 3.055 179.109 176.094 -0.065 0.000 1.047 99 V CA 1.663 63.908 62.300 -0.091 0.000 1.015 99 V CB -0.635 31.108 31.823 -0.133 0.000 0.642 99 V HN 0.253 nan 8.190 nan 0.000 0.446 100 V N 0.470 120.321 119.914 -0.104 0.000 2.255 100 V HA -0.296 3.813 4.120 -0.018 0.000 0.247 100 V C 2.760 178.781 176.094 -0.123 0.000 1.051 100 V CA 2.138 64.312 62.300 -0.210 0.000 1.018 100 V CB -1.345 30.195 31.823 -0.471 0.000 0.641 100 V HN 0.568 nan 8.190 nan 0.000 0.445 101 A N -0.487 122.339 122.820 0.010 0.000 1.986 101 A HA -0.133 4.176 4.320 -0.018 0.000 0.220 101 A C 1.822 179.604 177.584 0.331 0.000 1.171 101 A CA 1.608 53.785 52.037 0.233 0.000 0.640 101 A CB -0.518 18.678 19.000 0.326 0.000 0.811 101 A HN 0.550 nan 8.150 nan 0.000 0.451 102 L N -1.306 120.008 121.223 0.152 0.000 2.978 102 L HA 0.239 4.568 4.340 -0.018 0.000 0.239 102 L C 1.292 178.111 176.870 -0.085 0.000 1.293 102 L CA 0.034 54.871 54.840 -0.005 0.000 1.085 102 L CB 0.081 42.015 42.059 -0.209 0.000 1.432 102 L HN 0.471 nan 8.230 nan 0.000 0.512 103 Q N -0.298 119.582 119.800 0.133 0.000 2.398 103 Q HA 0.289 4.618 4.340 -0.018 0.000 0.238 103 Q C -0.024 176.145 176.000 0.281 0.000 0.761 103 Q CA 0.033 55.883 55.803 0.079 0.000 0.960 103 Q CB 1.906 30.644 28.738 -0.000 0.000 1.288 103 Q HN 0.252 nan 8.270 nan 0.000 0.503 104 I N 0.681 121.445 120.570 0.323 0.000 2.545 104 I HA 0.247 4.406 4.170 -0.018 0.000 0.292 104 I C 0.312 176.510 176.117 0.136 0.000 1.040 104 I CA 0.016 61.459 61.300 0.240 0.000 1.068 104 I CB 2.242 40.317 38.000 0.125 0.000 1.251 104 I HN 0.150 nan 8.210 nan 0.000 0.424 105 E N 4.728 124.869 120.200 -0.099 0.000 2.072 105 E HA -0.115 4.224 4.350 -0.018 0.000 0.191 105 E C 0.860 177.346 176.600 -0.189 0.000 0.985 105 E CA 1.604 57.710 56.400 -0.490 0.000 0.801 105 E CB 0.246 29.669 29.700 -0.461 0.000 0.750 105 E HN 0.697 nan 8.360 nan 0.000 0.452 106 N N -0.309 118.372 118.700 -0.032 0.000 2.398 106 N HA -0.020 4.709 4.740 -0.018 0.000 0.188 106 N C 0.887 176.449 175.510 0.088 0.000 1.122 106 N CA 0.034 53.087 53.050 0.006 0.000 0.866 106 N CB -0.150 38.334 38.487 -0.004 0.000 0.970 106 N HN 0.196 nan 8.380 nan 0.000 0.462 107 F N 1.531 121.485 119.950 0.006 0.000 2.027 107 F HA -0.241 4.275 4.527 -0.018 0.000 0.297 107 F C 0.814 176.626 175.800 0.020 0.000 1.129 107 F CA 0.990 59.012 58.000 0.037 0.000 1.195 107 F CB 0.058 39.110 39.000 0.088 0.000 0.960 107 F HN -0.051 nan 8.300 nan 0.000 0.485 108 C N 1.330 120.662 119.300 0.054 0.000 2.459 108 C HA 0.290 4.739 4.460 -0.018 0.000 0.374 108 C C 1.051 176.024 174.990 -0.028 0.000 1.241 108 C CA -0.745 58.237 59.018 -0.059 0.000 2.352 108 C CB 1.034 28.846 27.740 0.119 0.000 2.490 108 C HN 0.528 nan 8.230 nan 0.000 0.583 109 M N 2.542 122.099 119.600 -0.072 0.000 2.475 109 M HA 0.265 4.734 4.480 -0.018 0.000 0.283 109 M C -0.391 175.893 176.300 -0.027 0.000 1.165 109 M CA -0.035 55.235 55.300 -0.050 0.000 0.976 109 M CB -1.123 31.434 32.600 -0.070 0.000 1.428 109 M HN 0.593 nan 8.290 nan 0.000 0.495 110 N N 0.369 119.074 118.700 0.008 0.000 2.372 110 N HA 0.690 5.419 4.740 -0.018 0.000 0.285 110 N C 0.050 175.634 175.510 0.122 0.000 1.008 110 N CA 0.486 53.560 53.050 0.040 0.000 0.880 110 N CB 1.499 40.003 38.487 0.029 0.000 1.239 110 N HN 0.376 nan 8.380 nan 0.000 0.484 111 G N 0.585 109.417 108.800 0.053 0.000 2.829 111 G HA2 0.288 4.237 3.960 -0.018 0.000 0.628 111 G HA3 0.288 4.237 3.960 -0.018 0.000 0.628 111 G C -0.988 173.780 174.900 -0.220 0.000 1.412 111 G CA -0.249 44.833 45.100 -0.031 0.000 0.864 111 G HN 0.884 nan 8.290 nan 0.000 0.544 112 A N -1.499 120.957 122.820 -0.607 0.000 2.535 112 A HA 0.869 5.178 4.320 -0.018 0.000 0.296 112 A C 0.846 177.772 177.584 -1.097 0.000 1.248 112 A CA 0.359 51.954 52.037 -0.736 0.000 0.686 112 A CB 0.141 18.878 19.000 -0.439 0.000 1.315 112 A HN 1.270 nan 8.150 nan 0.000 0.460 113 F N -0.260 119.349 119.950 -0.569 0.000 2.043 113 F HA -0.197 4.319 4.527 -0.018 0.000 0.297 113 F C 2.190 177.727 175.800 -0.438 0.000 1.118 113 F CA 2.051 59.796 58.000 -0.426 0.000 1.202 113 F CB -0.949 37.916 39.000 -0.226 0.000 0.965 113 F HN 0.513 nan 8.300 nan 0.000 0.482 114 I N 0.933 121.413 120.570 -0.149 0.000 2.145 114 I HA -0.373 3.786 4.170 -0.018 0.000 0.244 114 I C 2.161 178.134 176.117 -0.240 0.000 1.075 114 I CA 1.835 63.013 61.300 -0.203 0.000 1.332 114 I CB -0.664 37.201 38.000 -0.225 0.000 1.033 114 I HN 0.157 nan 8.210 nan 0.000 0.410 115 N N -0.492 118.038 118.700 -0.283 0.000 2.142 115 N HA -0.200 4.529 4.740 -0.018 0.000 0.186 115 N C 1.912 177.421 175.510 -0.003 0.000 1.023 115 N CA 1.566 54.529 53.050 -0.145 0.000 0.852 115 N CB -0.522 37.893 38.487 -0.121 0.000 0.998 115 N HN 0.399 nan 8.380 nan 0.000 0.424 116 Y N 1.739 122.007 120.300 -0.052 0.000 2.145 116 Y HA -0.096 4.444 4.550 -0.018 0.000 0.286 116 Y C 2.424 178.155 175.900 -0.281 0.000 1.145 116 Y CA 0.273 58.301 58.100 -0.119 0.000 1.148 116 Y CB -1.170 37.154 38.460 -0.227 0.000 0.981 116 Y HN 0.080 nan 8.280 nan 0.000 0.507 117 I N -1.783 118.685 120.570 -0.170 0.000 2.676 117 I HA -0.079 4.081 4.170 -0.018 0.000 0.259 117 I C 1.806 177.687 176.117 -0.392 0.000 1.194 117 I CA 1.517 62.614 61.300 -0.338 0.000 1.473 117 I CB -1.141 36.621 38.000 -0.397 0.000 1.096 117 I HN -0.037 nan 8.210 nan 0.000 0.443 118 T N 1.306 115.688 114.554 -0.286 0.000 2.708 118 T HA -0.062 4.277 4.350 -0.018 0.000 0.266 118 T C 1.909 176.545 174.700 -0.108 0.000 1.037 118 T CA 1.759 63.726 62.100 -0.221 0.000 1.146 118 T CB -1.096 67.784 68.868 0.020 0.000 0.865 118 T HN 0.628 nan 8.240 nan 0.000 0.435 119 G N 1.097 109.880 108.800 -0.029 0.000 2.442 119 G HA2 -0.146 3.803 3.960 -0.018 0.000 0.219 119 G HA3 -0.146 3.803 3.960 -0.018 0.000 0.219 119 G C 1.533 176.377 174.900 -0.093 0.000 1.141 119 G CA 0.571 45.706 45.100 0.057 0.000 0.763 119 G HN 0.490 nan 8.290 nan 0.000 0.554 120 I N 0.278 120.616 120.570 -0.388 0.000 2.163 120 I HA -0.156 4.004 4.170 -0.018 0.000 0.240 120 I C 2.799 178.806 176.117 -0.184 0.000 1.081 120 I CA 0.536 61.507 61.300 -0.548 0.000 1.353 120 I CB -0.403 37.275 38.000 -0.537 0.000 1.054 120 I HN 0.018 nan 8.210 nan 0.000 0.407 121 V N 0.400 120.177 119.914 -0.228 0.000 2.282 121 V HA -0.329 3.781 4.120 -0.018 0.000 0.249 121 V C 2.549 178.651 176.094 0.013 0.000 1.057 121 V CA 2.362 64.576 62.300 -0.144 0.000 1.032 121 V CB -0.804 30.787 31.823 -0.387 0.000 0.645 121 V HN 0.399 nan 8.190 nan 0.000 0.447 122 S N -0.280 115.447 115.700 0.044 0.000 2.383 122 S HA -0.143 4.317 4.470 -0.018 0.000 0.229 122 S C 1.412 176.091 174.600 0.132 0.000 1.030 122 S CA 1.501 59.770 58.200 0.114 0.000 1.002 122 S CB -0.222 63.058 63.200 0.133 0.000 0.829 122 S HN 0.611 nan 8.310 nan 0.000 0.467 123 N N 0.421 119.229 118.700 0.181 0.000 2.664 123 N HA 0.193 4.922 4.740 -0.018 0.000 0.287 123 N C 0.392 176.076 175.510 0.289 0.000 1.869 123 N CA -0.037 53.139 53.050 0.210 0.000 0.832 123 N CB 0.664 39.283 38.487 0.220 0.000 1.293 123 N HN 0.055 nan 8.380 nan 0.000 0.498 124 V N 1.152 121.193 119.914 0.212 0.000 2.324 124 V HA -0.243 3.866 4.120 -0.018 0.000 0.250 124 V C 1.647 177.878 176.094 0.229 0.000 1.060 124 V CA 1.860 64.293 62.300 0.221 0.000 1.042 124 V CB -0.158 31.748 31.823 0.138 0.000 0.650 124 V HN 0.465 nan 8.190 nan 0.000 0.450 125 N N 0.091 118.885 118.700 0.157 0.000 2.364 125 N HA -0.094 4.635 4.740 -0.018 0.000 0.183 125 N C 1.812 177.385 175.510 0.105 0.000 1.022 125 N CA 1.627 54.746 53.050 0.115 0.000 0.883 125 N CB -0.247 38.284 38.487 0.074 0.000 0.965 125 N HN 0.481 nan 8.380 nan 0.000 0.438 126 S N -0.665 115.096 115.700 0.102 0.000 2.558 126 S HA 0.093 4.552 4.470 -0.018 0.000 0.217 126 S C 0.710 175.245 174.600 -0.110 0.000 0.975 126 S CA 0.067 58.252 58.200 -0.025 0.000 0.912 126 S CB 0.041 63.178 63.200 -0.106 0.000 0.776 126 S HN 0.409 nan 8.310 nan 0.000 0.526 127 Y N -0.034 120.342 120.300 0.127 0.000 2.481 127 Y HA 0.210 4.750 4.550 -0.018 0.000 0.247 127 Y C 2.398 178.394 175.900 0.159 0.000 1.151 127 Y CA -0.180 58.031 58.100 0.184 0.000 1.238 127 Y CB -0.085 38.521 38.460 0.244 0.000 1.179 127 Y HN 0.128 nan 8.280 nan 0.000 0.524 128 T N -0.001 114.701 114.554 0.246 0.000 2.674 128 T HA -0.170 4.169 4.350 -0.018 0.000 0.265 128 T C 1.514 176.294 174.700 0.134 0.000 1.039 128 T CA 2.356 64.558 62.100 0.170 0.000 1.150 128 T CB -0.211 68.737 68.868 0.133 0.000 0.864 128 T HN 0.267 nan 8.240 nan 0.000 0.427 129 D N 0.388 120.880 120.400 0.153 0.000 2.104 129 D HA -0.072 4.557 4.640 -0.018 0.000 0.194 129 D C 1.761 178.083 176.300 0.037 0.000 0.994 129 D CA 0.851 54.952 54.000 0.168 0.000 0.830 129 D CB -0.630 40.354 40.800 0.306 0.000 0.959 129 D HN 0.388 nan 8.370 nan 0.000 0.452 130 F N 1.500 121.269 119.950 -0.302 0.000 2.069 130 F HA -0.137 4.379 4.527 -0.018 0.000 0.298 130 F C 2.264 177.864 175.800 -0.332 0.000 1.113 130 F CA 1.034 58.616 58.000 -0.696 0.000 1.214 130 F CB -0.700 37.990 39.000 -0.517 0.000 0.978 130 F HN -0.110 nan 8.300 nan 0.000 0.474 131 L N -0.775 120.378 121.223 -0.118 0.000 2.046 131 L HA -0.261 4.069 4.340 -0.018 0.000 0.208 131 L C 2.811 179.510 176.870 -0.284 0.000 1.077 131 L CA 1.663 56.380 54.840 -0.204 0.000 0.747 131 L CB -0.905 41.143 42.059 -0.019 0.000 0.896 131 L HN 0.281 nan 8.230 nan 0.000 0.432 132 S N -0.790 114.827 115.700 -0.138 0.000 2.365 132 S HA -0.264 4.195 4.470 -0.018 0.000 0.225 132 S C 2.014 176.534 174.600 -0.134 0.000 1.039 132 S CA 1.466 59.643 58.200 -0.039 0.000 1.033 132 S CB -0.118 63.145 63.200 0.105 0.000 0.887 132 S HN 0.398 nan 8.310 nan 0.000 0.447 133 Q N 0.437 120.135 119.800 -0.170 0.000 2.124 133 Q HA -0.010 4.319 4.340 -0.018 0.000 0.202 133 Q C 2.308 178.134 176.000 -0.291 0.000 0.977 133 Q CA 1.352 57.044 55.803 -0.185 0.000 0.850 133 Q CB -0.572 28.064 28.738 -0.169 0.000 0.901 133 Q HN 0.650 nan 8.270 nan 0.000 0.429 134 I N 0.424 120.736 120.570 -0.430 0.000 2.163 134 I HA -0.301 3.858 4.170 -0.018 0.000 0.243 134 I C 2.234 178.132 176.117 -0.365 0.000 1.085 134 I CA 1.027 62.078 61.300 -0.414 0.000 1.347 134 I CB -0.253 37.456 38.000 -0.486 0.000 1.044 134 I HN 0.121 nan 8.210 nan 0.000 0.408 135 I N 0.070 120.351 120.570 -0.482 0.000 2.142 135 I HA -0.360 3.799 4.170 -0.018 0.000 0.240 135 I C 2.681 178.441 176.117 -0.595 0.000 1.078 135 I CA 1.600 62.524 61.300 -0.627 0.000 1.343 135 I CB -0.458 36.898 38.000 -1.074 0.000 1.046 135 I HN 0.301 nan 8.210 nan 0.000 0.405 136 Q N 0.970 120.415 119.800 -0.593 0.000 2.112 136 Q HA -0.303 4.026 4.340 -0.018 0.000 0.206 136 Q C 2.268 178.144 176.000 -0.207 0.000 0.987 136 Q CA 2.031 57.627 55.803 -0.345 0.000 0.858 136 Q CB -0.086 28.570 28.738 -0.137 0.000 0.905 136 Q HN 0.221 nan 8.270 nan 0.000 0.420 137 R N 0.002 120.384 120.500 -0.197 0.000 2.075 137 R HA -0.059 4.270 4.340 -0.018 0.000 0.232 137 R C 1.982 178.197 176.300 -0.142 0.000 1.126 137 R CA 1.677 57.690 56.100 -0.145 0.000 0.963 137 R CB -0.755 29.459 30.300 -0.144 0.000 0.858 137 R HN 0.358 nan 8.270 nan 0.000 0.435 138 A N 0.386 123.103 122.820 -0.172 0.000 1.933 138 A HA -0.079 4.230 4.320 -0.018 0.000 0.218 138 A C 2.269 179.781 177.584 -0.120 0.000 1.175 138 A CA 1.542 53.495 52.037 -0.139 0.000 0.628 138 A CB -0.566 18.351 19.000 -0.139 0.000 0.814 138 A HN 0.381 nan 8.150 nan 0.000 0.444 139 I N -0.288 120.193 120.570 -0.149 0.000 2.226 139 I HA -0.264 3.896 4.170 -0.018 0.000 0.245 139 I C 2.212 178.286 176.117 -0.072 0.000 1.100 139 I CA 1.181 62.417 61.300 -0.106 0.000 1.374 139 I CB -0.253 37.676 38.000 -0.118 0.000 1.057 139 I HN 0.286 nan 8.210 nan 0.000 0.413 140 L N -0.031 121.147 121.223 -0.075 0.000 2.275 140 L HA -0.155 4.174 4.340 -0.018 0.000 0.215 140 L C 1.722 178.563 176.870 -0.048 0.000 1.119 140 L CA 1.173 55.983 54.840 -0.050 0.000 0.790 140 L CB -0.380 41.652 42.059 -0.046 0.000 0.919 140 L HN 0.284 nan 8.230 nan 0.000 0.443 141 E N -0.416 119.748 120.200 -0.060 0.000 2.476 141 E HA 0.129 4.468 4.350 -0.018 0.000 0.196 141 E C 1.058 177.630 176.600 -0.048 0.000 1.029 141 E CA 0.398 56.766 56.400 -0.054 0.000 0.896 141 E CB 0.587 30.248 29.700 -0.065 0.000 1.012 141 E HN 0.435 nan 8.360 nan 0.000 0.475 142 G N 2.031 110.803 108.800 -0.046 0.000 2.176 142 G HA2 -0.282 3.667 3.960 -0.018 0.000 0.252 142 G HA3 -0.282 3.667 3.960 -0.018 0.000 0.252 142 G C 0.666 175.540 174.900 -0.043 0.000 1.024 142 G CA 0.936 46.012 45.100 -0.040 0.000 0.755 142 G HN 0.301 nan 8.290 nan 0.000 0.507 143 T N -1.665 112.858 114.554 -0.053 0.000 3.393 143 T HA 0.630 4.969 4.350 -0.018 0.000 0.298 143 T C 2.097 176.761 174.700 -0.060 0.000 1.004 143 T CA 1.327 63.394 62.100 -0.054 0.000 0.956 143 T CB -0.398 68.436 68.868 -0.057 0.000 1.182 143 T HN 1.223 nan 8.240 nan 0.000 0.497 144 A N 1.156 123.941 122.820 -0.057 0.000 1.908 144 A HA 0.025 4.335 4.320 -0.018 0.000 0.218 144 A C 2.000 179.558 177.584 -0.043 0.000 1.181 144 A CA 1.500 53.509 52.037 -0.047 0.000 0.627 144 A CB -0.671 18.306 19.000 -0.038 0.000 0.818 144 A HN 0.543 nan 8.150 nan 0.000 0.445 145 L N 0.211 121.400 121.223 -0.056 0.000 2.017 145 L HA -0.163 4.166 4.340 -0.018 0.000 0.208 145 L C 1.686 178.504 176.870 -0.087 0.000 1.073 145 L CA 2.512 57.305 54.840 -0.078 0.000 0.745 145 L CB -0.760 41.254 42.059 -0.076 0.000 0.894 145 L HN 0.358 nan 8.230 nan 0.000 0.432 146 D N -0.547 119.809 120.400 -0.072 0.000 2.133 146 D HA -0.228 4.401 4.640 -0.018 0.000 0.195 146 D C 2.175 178.407 176.300 -0.114 0.000 0.997 146 D CA 1.642 55.596 54.000 -0.076 0.000 0.840 146 D CB -0.366 40.403 40.800 -0.051 0.000 0.947 146 D HN 0.326 nan 8.370 nan 0.000 0.452 147 L N 0.766 121.927 121.223 -0.103 0.000 1.994 147 L HA -0.126 4.203 4.340 -0.018 0.000 0.208 147 L C 2.210 178.982 176.870 -0.162 0.000 1.071 147 L CA 1.477 56.244 54.840 -0.122 0.000 0.745 147 L CB -0.787 41.246 42.059 -0.044 0.000 0.892 147 L HN 0.025 nan 8.230 nan 0.000 0.431 148 L N -0.166 120.998 121.223 -0.099 0.000 2.079 148 L HA -0.234 4.095 4.340 -0.018 0.000 0.210 148 L C 2.187 178.949 176.870 -0.182 0.000 1.081 148 L CA 1.301 56.073 54.840 -0.113 0.000 0.752 148 L CB -0.770 41.204 42.059 -0.142 0.000 0.896 148 L HN 0.415 nan 8.230 nan 0.000 0.433 149 N N -0.162 118.425 118.700 -0.189 0.000 2.396 149 N HA -0.063 4.666 4.740 -0.018 0.000 0.180 149 N C 1.744 177.100 175.510 -0.256 0.000 1.028 149 N CA 1.149 54.091 53.050 -0.180 0.000 0.893 149 N CB 0.028 38.443 38.487 -0.120 0.000 0.967 149 N HN 0.305 nan 8.380 nan 0.000 0.440 150 A N 0.166 122.745 122.820 -0.402 0.000 1.874 150 A HA 0.012 4.321 4.320 -0.018 0.000 0.214 150 A C 2.415 179.560 177.584 -0.733 0.000 1.189 150 A CA 0.939 52.498 52.037 -0.796 0.000 0.615 150 A CB -0.494 17.830 19.000 -1.126 0.000 0.830 150 A HN 0.073 nan 8.150 nan 0.000 0.443 151 V N -1.513 118.017 119.914 -0.640 0.000 2.379 151 V HA -0.099 4.010 4.120 -0.018 0.000 0.243 151 V C 2.250 177.858 176.094 -0.810 0.000 1.035 151 V CA 1.684 63.500 62.300 -0.807 0.000 1.035 151 V CB -0.770 30.393 31.823 -1.099 0.000 0.673 151 V HN 0.544 nan 8.190 nan 0.000 0.457 152 F N -0.192 119.466 119.950 -0.487 0.000 2.234 152 F HA 0.065 4.581 4.527 -0.018 0.000 0.296 152 F C -0.128 175.523 175.800 -0.248 0.000 1.089 152 F CA 0.964 58.715 58.000 -0.415 0.000 1.343 152 F CB -1.837 36.858 39.000 -0.509 0.000 1.040 152 F HN 0.261 nan 8.300 nan 0.000 0.498 153 P HA -0.107 nan 4.420 nan 0.000 0.217 153 P C 1.525 178.788 177.300 -0.061 0.000 1.150 153 P CA 1.885 64.957 63.100 -0.048 0.000 0.832 153 P CB -0.212 31.459 31.700 -0.048 0.000 0.787 154 T N -0.363 114.110 114.554 -0.135 0.000 2.833 154 T HA -0.119 4.220 4.350 -0.018 0.000 0.269 154 T C 1.570 176.206 174.700 -0.107 0.000 1.054 154 T CA 0.862 62.889 62.100 -0.121 0.000 1.135 154 T CB -0.691 68.055 68.868 -0.203 0.000 0.869 154 T HN -0.027 nan 8.240 nan 0.000 0.466 155 L N 0.481 121.603 121.223 -0.169 0.000 2.217 155 L HA 0.190 4.519 4.340 -0.018 0.000 0.211 155 L C 1.969 178.855 176.870 0.027 0.000 1.107 155 L CA 1.019 55.799 54.840 -0.101 0.000 0.783 155 L CB -0.973 40.960 42.059 -0.210 0.000 0.919 155 L HN 0.157 nan 8.230 nan 0.000 0.442 156 L N -0.217 121.021 121.223 0.024 0.000 1.961 156 L HA -0.220 4.109 4.340 -0.018 0.000 0.210 156 L C 2.568 179.454 176.870 0.027 0.000 1.072 156 L CA 1.881 56.740 54.840 0.031 0.000 0.749 156 L CB -0.870 41.214 42.059 0.041 0.000 0.889 156 L HN 0.380 nan 8.230 nan 0.000 0.432 157 E N -1.633 118.592 120.200 0.041 0.000 2.097 157 E HA -0.322 4.017 4.350 -0.018 0.000 0.196 157 E C 2.282 178.947 176.600 0.108 0.000 1.000 157 E CA 1.706 58.146 56.400 0.067 0.000 0.804 157 E CB -0.330 29.413 29.700 0.073 0.000 0.740 157 E HN 0.588 nan 8.360 nan 0.000 0.454 158 Y N 0.632 120.919 120.300 -0.023 0.000 2.165 158 Y HA -0.303 4.236 4.550 -0.018 0.000 0.286 158 Y C 2.356 178.281 175.900 0.042 0.000 1.155 158 Y CA 1.933 60.025 58.100 -0.012 0.000 1.164 158 Y CB -0.491 37.918 38.460 -0.085 0.000 0.978 158 Y HN 0.152 nan 8.280 nan 0.000 0.513 159 C N 0.708 119.985 119.300 -0.040 0.000 2.457 159 C HA -0.107 4.342 4.460 -0.018 0.000 0.278 159 C C 2.348 177.289 174.990 -0.081 0.000 1.309 159 C CA 1.134 60.048 59.018 -0.172 0.000 1.735 159 C CB -1.100 26.368 27.740 -0.452 0.000 1.992 159 C HN 0.637 nan 8.230 nan 0.000 0.493 160 N N 0.647 119.318 118.700 -0.050 0.000 2.368 160 N HA -0.014 4.715 4.740 -0.018 0.000 0.176 160 N C 1.641 177.117 175.510 -0.056 0.000 1.021 160 N CA 0.841 53.872 53.050 -0.031 0.000 0.888 160 N CB -0.133 38.345 38.487 -0.015 0.000 0.995 160 N HN 0.564 nan 8.380 nan 0.000 0.437 161 K N -0.304 120.072 120.400 -0.040 0.000 2.399 161 K HA 0.169 4.478 4.320 -0.018 0.000 0.196 161 K C 0.922 177.401 176.600 -0.202 0.000 1.117 161 K CA 0.233 56.471 56.287 -0.083 0.000 0.965 161 K CB 0.473 32.961 32.500 -0.020 0.000 0.983 161 K HN 0.311 nan 8.250 nan 0.000 0.531 162 H N 0.392 119.331 119.070 -0.218 0.000 2.622 162 H HA 0.149 4.694 4.556 -0.018 0.000 0.269 162 H C 0.183 175.331 175.328 -0.299 0.000 0.977 162 H CA 0.126 56.026 56.048 -0.247 0.000 1.179 162 H CB 1.028 30.653 29.762 -0.228 0.000 1.458 162 H HN -0.158 nan 8.280 nan 0.000 0.531 163 V N 0.266 120.044 119.914 -0.226 0.000 2.581 163 V HA 0.172 4.281 4.120 -0.018 0.000 0.303 163 V C 1.157 177.167 176.094 -0.140 0.000 1.041 163 V CA -0.605 61.616 62.300 -0.132 0.000 0.907 163 V CB 2.028 33.826 31.823 -0.041 0.000 0.994 163 V HN 0.122 nan 8.190 nan 0.000 0.442 164 S N 1.751 117.358 115.700 -0.154 0.000 2.353 164 S HA -0.113 4.346 4.470 -0.018 0.000 0.222 164 S C 0.280 174.475 174.600 -0.675 0.000 1.035 164 S CA 1.607 59.579 58.200 -0.381 0.000 1.025 164 S CB -0.353 62.696 63.200 -0.252 0.000 0.902 164 S HN 0.947 nan 8.310 nan 0.000 0.440 165 H N -1.343 117.751 119.070 0.041 0.000 3.108 165 H HA 0.388 4.933 4.556 -0.018 0.000 0.329 165 H C -1.462 173.928 175.328 0.102 0.000 0.978 165 H CA -0.677 55.409 56.048 0.062 0.000 1.413 165 H CB 0.585 30.364 29.762 0.029 0.000 1.670 165 H HN 0.171 nan 8.280 nan 0.000 0.512 166 F N 4.955 124.962 119.950 0.095 0.000 2.468 166 F HA 0.241 4.757 4.527 -0.018 0.000 0.356 166 F C -0.327 175.528 175.800 0.093 0.000 1.167 166 F CA -0.012 58.049 58.000 0.102 0.000 1.135 166 F CB -0.271 38.785 39.000 0.092 0.000 1.197 166 F HN 0.740 nan 8.300 nan 0.000 0.569 167 D N 3.087 123.319 120.400 -0.281 0.000 2.779 167 D HA 0.104 4.733 4.640 -0.018 0.000 0.331 167 D C -0.023 176.093 176.300 -0.307 0.000 1.331 167 D CA -0.704 53.156 54.000 -0.234 0.000 0.866 167 D CB 0.296 41.054 40.800 -0.071 0.000 1.409 167 D HN 0.195 nan 8.370 nan 0.000 0.486 168 L N 0.372 121.418 121.223 -0.294 0.000 2.362 168 L HA 0.052 4.381 4.340 -0.018 0.000 0.219 168 L C 1.485 178.342 176.870 -0.021 0.000 1.134 168 L CA 1.313 55.970 54.840 -0.305 0.000 0.807 168 L CB -1.107 40.793 42.059 -0.264 0.000 0.927 168 L HN 0.382 nan 8.230 nan 0.000 0.447 169 N N -0.059 118.625 118.700 -0.027 0.000 2.166 169 N HA -0.125 4.604 4.740 -0.018 0.000 0.186 169 N C 0.564 176.115 175.510 0.068 0.000 1.019 169 N CA 0.795 53.857 53.050 0.020 0.000 0.856 169 N CB -0.137 38.350 38.487 -0.001 0.000 0.993 169 N HN 0.330 nan 8.380 nan 0.000 0.426 170 E N 1.005 121.253 120.200 0.080 0.000 2.110 170 E HA 0.046 4.385 4.350 -0.018 0.000 0.300 170 E C 0.799 177.474 176.600 0.125 0.000 1.278 170 E CA -0.119 56.334 56.400 0.089 0.000 1.365 170 E CB 0.301 30.035 29.700 0.057 0.000 1.283 170 E HN 0.132 nan 8.360 nan 0.000 0.490 171 S N 1.080 116.824 115.700 0.073 0.000 2.359 171 S HA -0.166 4.293 4.470 -0.018 0.000 0.223 171 S C 1.886 176.311 174.600 -0.292 0.000 1.039 171 S CA 1.501 59.639 58.200 -0.103 0.000 1.042 171 S CB 0.131 63.312 63.200 -0.031 0.000 0.915 171 S HN 0.306 nan 8.310 nan 0.000 0.439 172 V N 1.691 121.541 119.914 -0.106 0.000 2.343 172 V HA -0.125 3.984 4.120 -0.018 0.000 0.247 172 V C 2.349 178.417 176.094 -0.042 0.000 1.051 172 V CA 2.011 64.268 62.300 -0.073 0.000 1.036 172 V CB -0.610 31.217 31.823 0.006 0.000 0.654 172 V HN 0.516 nan 8.190 nan 0.000 0.451 173 I N -0.376 120.219 120.570 0.041 0.000 2.286 173 I HA -0.240 3.919 4.170 -0.018 0.000 0.245 173 I C 2.484 178.740 176.117 0.232 0.000 1.104 173 I CA 1.950 63.361 61.300 0.185 0.000 1.397 173 I CB -0.368 37.812 38.000 0.300 0.000 1.072 173 I HN 0.562 nan 8.210 nan 0.000 0.417 174 Y N 0.290 120.620 120.300 0.051 0.000 2.337 174 Y HA -0.014 4.525 4.550 -0.018 0.000 0.293 174 Y C 2.169 178.153 175.900 0.141 0.000 1.123 174 Y CA 0.790 58.901 58.100 0.018 0.000 1.201 174 Y CB -0.754 37.495 38.460 -0.353 0.000 1.011 174 Y HN 0.064 nan 8.280 nan 0.000 0.545 175 N N 1.307 119.703 118.700 -0.506 0.000 2.084 175 N HA -0.184 4.546 4.740 -0.018 0.000 0.190 175 N C 1.116 176.642 175.510 0.027 0.000 1.030 175 N CA 1.477 54.369 53.050 -0.263 0.000 0.849 175 N CB -0.362 37.906 38.487 -0.364 0.000 1.012 175 N HN 0.475 nan 8.380 nan 0.000 0.423 176 N N 0.909 119.640 118.700 0.052 0.000 2.166 176 N HA -0.079 4.651 4.740 -0.018 0.000 0.186 176 N C 1.931 177.562 175.510 0.201 0.000 1.019 176 N CA 0.467 53.587 53.050 0.117 0.000 0.856 176 N CB -0.584 37.962 38.487 0.098 0.000 0.993 176 N HN 0.035 nan 8.380 nan 0.000 0.426 177 V N 1.536 121.631 119.914 0.302 0.000 2.332 177 V HA -0.189 3.920 4.120 -0.018 0.000 0.248 177 V C 2.340 178.739 176.094 0.508 0.000 1.055 177 V CA 1.242 63.795 62.300 0.422 0.000 1.038 177 V CB -0.576 31.611 31.823 0.606 0.000 0.651 177 V HN 0.225 nan 8.190 nan 0.000 0.450 178 L N -0.421 121.049 121.223 0.413 0.000 2.046 178 L HA -0.188 4.142 4.340 -0.018 0.000 0.208 178 L C 2.641 179.707 176.870 0.326 0.000 1.077 178 L CA 2.020 57.070 54.840 0.351 0.000 0.747 178 L CB -1.021 41.193 42.059 0.258 0.000 0.896 178 L HN 0.315 nan 8.230 nan 0.000 0.432 179 T N 0.100 114.798 114.554 0.240 0.000 2.803 179 T HA -0.159 4.181 4.350 -0.018 0.000 0.269 179 T C 1.876 176.734 174.700 0.263 0.000 1.052 179 T CA 1.304 63.518 62.100 0.189 0.000 1.136 179 T CB -0.192 68.754 68.868 0.130 0.000 0.864 179 T HN 0.210 nan 8.240 nan 0.000 0.467 180 I N -0.186 120.576 120.570 0.320 0.000 2.163 180 I HA -0.108 4.052 4.170 -0.018 0.000 0.240 180 I C 1.990 178.426 176.117 0.531 0.000 1.081 180 I CA 1.422 62.935 61.300 0.356 0.000 1.353 180 I CB -0.417 37.690 38.000 0.178 0.000 1.054 180 I HN 0.186 nan 8.210 nan 0.000 0.407 181 F N 1.422 121.625 119.950 0.423 0.000 2.126 181 F HA -0.244 4.272 4.527 -0.018 0.000 0.299 181 F C 2.546 178.527 175.800 0.301 0.000 1.096 181 F CA 1.715 59.946 58.000 0.385 0.000 1.255 181 F CB -0.382 38.755 39.000 0.229 0.000 0.997 181 F HN 0.076 nan 8.300 nan 0.000 0.479 182 E N -0.075 120.400 120.200 0.458 0.000 2.077 182 E HA -0.228 4.111 4.350 -0.018 0.000 0.193 182 E C 2.056 178.844 176.600 0.312 0.000 0.989 182 E CA 1.154 57.762 56.400 0.346 0.000 0.800 182 E CB -0.381 29.395 29.700 0.125 0.000 0.746 182 E HN 0.264 nan 8.360 nan 0.000 0.452 183 L N 0.201 121.604 121.223 0.299 0.000 1.989 183 L HA -0.190 4.139 4.340 -0.018 0.000 0.211 183 L C 1.985 179.040 176.870 0.307 0.000 1.071 183 L CA 1.738 56.722 54.840 0.239 0.000 0.749 183 L CB -0.425 41.749 42.059 0.191 0.000 0.890 183 L HN 0.043 nan 8.230 nan 0.000 0.431 184 F N -1.558 118.583 119.950 0.317 0.000 2.075 184 F HA -0.195 4.321 4.527 -0.018 0.000 0.297 184 F C 2.446 178.422 175.800 0.294 0.000 1.113 184 F CA 1.779 59.981 58.000 0.337 0.000 1.218 184 F CB -0.674 38.552 39.000 0.376 0.000 0.984 184 F HN -0.170 nan 8.300 nan 0.000 0.472 185 V N -0.653 119.466 119.914 0.342 0.000 3.380 185 V HA -0.167 3.943 4.120 -0.018 0.000 0.268 185 V C 1.814 177.965 176.094 0.096 0.000 1.168 185 V CA 1.811 64.174 62.300 0.105 0.000 1.156 185 V CB -0.664 31.089 31.823 -0.117 0.000 0.785 185 V HN 0.409 nan 8.190 nan 0.000 0.487 186 T N -0.115 114.537 114.554 0.162 0.000 2.995 186 T HA 0.029 4.368 4.350 -0.018 0.000 0.269 186 T C 0.529 175.159 174.700 -0.116 0.000 1.091 186 T CA 0.373 62.493 62.100 0.032 0.000 1.128 186 T CB -0.311 68.584 68.868 0.043 0.000 0.891 186 T HN 0.315 nan 8.240 nan 0.000 0.492 187 F N 2.480 122.441 119.950 0.019 0.000 2.494 187 F HA 0.230 4.746 4.527 -0.018 0.000 0.369 187 F C 1.441 177.235 175.800 -0.011 0.000 1.098 187 F CA -0.683 57.315 58.000 -0.004 0.000 1.154 187 F CB 0.685 39.676 39.000 -0.015 0.000 1.103 187 F HN -0.160 nan 8.300 nan 0.000 0.549 188 K N 5.244 125.710 120.400 0.109 0.000 2.044 188 K HA -0.162 4.147 4.320 -0.018 0.000 0.210 188 K C -0.955 175.681 176.600 0.060 0.000 1.049 188 K CA 1.827 58.142 56.287 0.047 0.000 0.927 188 K CB -1.024 31.482 32.500 0.009 0.000 0.713 188 K HN 0.279 nan 8.250 nan 0.000 0.443 189 P HA -0.113 nan 4.420 nan 0.000 0.222 189 P C 0.931 178.267 177.300 0.061 0.000 1.147 189 P CA 0.897 64.029 63.100 0.054 0.000 0.790 189 P CB 0.028 31.756 31.700 0.046 0.000 0.780 190 I N -0.289 120.353 120.570 0.119 0.000 2.233 190 I HA -0.127 4.032 4.170 -0.018 0.000 0.243 190 I C 2.204 178.399 176.117 0.131 0.000 1.093 190 I CA 1.409 62.804 61.300 0.157 0.000 1.380 190 I CB -1.812 36.351 38.000 0.272 0.000 1.067 190 I HN -0.083 nan 8.210 nan 0.000 0.413 191 A N 1.403 124.264 122.820 0.069 0.000 2.024 191 A HA -0.218 4.091 4.320 -0.018 0.000 0.220 191 A C 2.101 179.663 177.584 -0.037 0.000 1.164 191 A CA 1.840 53.862 52.037 -0.025 0.000 0.643 191 A CB -0.754 18.198 19.000 -0.080 0.000 0.806 191 A HN 0.699 nan 8.150 nan 0.000 0.451 192 E N 0.050 120.237 120.200 -0.022 0.000 2.371 192 E HA 0.013 4.352 4.350 -0.018 0.000 0.194 192 E C 1.498 178.062 176.600 -0.060 0.000 1.012 192 E CA 1.052 57.422 56.400 -0.050 0.000 0.860 192 E CB -0.368 29.307 29.700 -0.042 0.000 0.811 192 E HN 0.827 nan 8.360 nan 0.000 0.502 193 I N -3.931 116.613 120.570 -0.042 0.000 4.240 193 I HA 0.294 4.454 4.170 -0.018 0.000 0.331 193 I C 1.298 177.336 176.117 -0.133 0.000 1.381 193 I CA -0.647 60.603 61.300 -0.083 0.000 1.136 193 I CB -0.032 37.927 38.000 -0.069 0.000 1.137 193 I HN -0.168 nan 8.210 nan 0.000 0.411 194 F N 3.587 123.378 119.950 -0.265 0.000 2.154 194 F HA -0.253 4.263 4.527 -0.018 0.000 0.301 194 F C 2.591 178.052 175.800 -0.564 0.000 1.087 194 F CA 2.650 60.439 58.000 -0.352 0.000 1.274 194 F CB -0.072 38.728 39.000 -0.332 0.000 1.009 194 F HN 0.312 nan 8.300 nan 0.000 0.485 195 T N -3.193 110.999 114.554 -0.603 0.000 3.160 195 T HA -0.042 4.297 4.350 -0.018 0.000 0.257 195 T C 1.532 175.793 174.700 -0.731 0.000 1.147 195 T CA 0.359 61.686 62.100 -1.288 0.000 1.064 195 T CB -0.208 67.979 68.868 -1.135 0.000 0.949 195 T HN 0.003 nan 8.240 nan 0.000 0.526 196 K N 0.920 121.080 120.400 -0.400 0.000 2.426 196 K HA 0.375 4.685 4.320 -0.018 0.000 0.193 196 K C 0.806 177.291 176.600 -0.191 0.000 1.028 196 K CA -0.422 55.743 56.287 -0.203 0.000 1.047 196 K CB -0.338 32.083 32.500 -0.132 0.000 0.821 196 K HN 0.523 nan 8.250 nan 0.000 0.513 197 I N 2.858 123.240 120.570 -0.313 0.000 2.880 197 I HA -0.149 4.011 4.170 -0.018 0.000 0.296 197 I C 0.075 176.137 176.117 -0.093 0.000 1.220 197 I CA 0.212 61.357 61.300 -0.258 0.000 1.435 197 I CB 0.184 37.910 38.000 -0.456 0.000 1.339 197 I HN 0.002 nan 8.210 nan 0.000 0.583 198 D N 5.420 125.782 120.400 -0.064 0.000 2.487 198 D HA 0.157 4.786 4.640 -0.018 0.000 0.243 198 D C 1.073 177.386 176.300 0.022 0.000 1.154 198 D CA 1.133 55.133 54.000 -0.001 0.000 0.876 198 D CB 0.727 41.524 40.800 -0.005 0.000 1.161 198 D HN 0.889 nan 8.370 nan 0.000 0.478 199 G N 1.914 110.759 108.800 0.075 0.000 2.143 199 G HA2 -0.377 3.572 3.960 -0.018 0.000 0.249 199 G HA3 -0.377 3.572 3.960 -0.018 0.000 0.249 199 G C 0.760 175.700 174.900 0.067 0.000 0.981 199 G CA 0.244 45.394 45.100 0.084 0.000 0.665 199 G HN 0.496 nan 8.290 nan 0.000 0.528 200 F N 0.499 120.384 119.950 -0.108 0.000 2.095 200 F HA 0.298 4.814 4.527 -0.018 0.000 0.298 200 F C 1.465 177.127 175.800 -0.231 0.000 1.104 200 F CA 1.354 59.191 58.000 -0.272 0.000 1.232 200 F CB -0.091 38.605 39.000 -0.506 0.000 0.987 200 F HN 0.131 nan 8.300 nan 0.000 0.475 201 F N -0.006 120.097 119.950 0.255 0.000 2.370 201 F HA 0.482 4.999 4.527 -0.018 0.000 0.319 201 F C 0.730 176.584 175.800 0.090 0.000 1.129 201 F CA -0.792 57.315 58.000 0.179 0.000 1.109 201 F CB -0.020 39.066 39.000 0.143 0.000 1.262 201 F HN -0.124 nan 8.300 nan 0.000 0.534 202 A N 1.056 124.018 122.820 0.235 0.000 2.354 202 A HA 0.291 4.600 4.320 -0.018 0.000 0.269 202 A C -0.204 177.461 177.584 0.136 0.000 1.109 202 A CA -0.798 51.342 52.037 0.172 0.000 0.800 202 A CB -0.022 19.072 19.000 0.157 0.000 1.045 202 A HN 0.677 nan 8.150 nan 0.000 0.489 203 D N -0.033 120.467 120.400 0.167 0.000 2.346 203 D HA -0.044 4.585 4.640 -0.018 0.000 0.236 203 D C 0.860 177.264 176.300 0.173 0.000 1.259 203 D CA 0.355 54.450 54.000 0.159 0.000 0.898 203 D CB 0.192 41.085 40.800 0.156 0.000 1.178 203 D HN 0.625 nan 8.370 nan 0.000 0.457 204 Y N 0.806 121.138 120.300 0.054 0.000 2.256 204 Y HA -0.258 4.282 4.550 -0.018 0.000 0.288 204 Y C 2.311 178.274 175.900 0.105 0.000 1.155 204 Y CA 2.119 60.258 58.100 0.064 0.000 1.203 204 Y CB 0.142 38.623 38.460 0.036 0.000 0.980 204 Y HN 0.342 nan 8.280 nan 0.000 0.530 205 S N -1.986 113.852 115.700 0.231 0.000 2.548 205 S HA -0.010 4.449 4.470 -0.018 0.000 0.215 205 S C 0.866 175.526 174.600 0.101 0.000 0.976 205 S CA -0.066 58.227 58.200 0.155 0.000 0.908 205 S CB -1.147 62.146 63.200 0.156 0.000 0.781 205 S HN 0.368 nan 8.310 nan 0.000 0.519 206 C N 4.010 123.399 119.300 0.149 0.000 2.638 206 C HA 0.281 4.730 4.460 -0.018 0.000 0.410 206 C C 0.579 175.602 174.990 0.056 0.000 1.404 206 C CA -0.566 58.542 59.018 0.150 0.000 1.651 206 C CB -1.189 26.723 27.740 0.288 0.000 2.495 206 C HN 0.503 nan 8.230 nan 0.000 0.606 207 K N 7.337 127.680 120.400 -0.095 0.000 2.270 207 K HA 0.182 4.491 4.320 -0.018 0.000 0.276 207 K C -1.570 174.638 176.600 -0.653 0.000 1.023 207 K CA -0.993 55.144 56.287 -0.251 0.000 0.955 207 K CB 0.556 32.952 32.500 -0.173 0.000 0.975 207 K HN 0.434 nan 8.250 nan 0.000 0.471 208 P HA -0.251 nan 4.420 nan 0.000 0.218 208 P C 0.520 177.245 177.300 -0.958 0.000 1.154 208 P CA 1.531 63.788 63.100 -1.407 0.000 0.872 208 P CB 0.177 31.523 31.700 -0.590 0.000 0.790 209 Q N -1.034 118.470 119.800 -0.494 0.000 2.439 209 Q HA -0.111 4.218 4.340 -0.018 0.000 0.211 209 Q C 1.214 177.037 176.000 -0.295 0.000 0.978 209 Q CA 1.186 56.806 55.803 -0.306 0.000 0.897 209 Q CB -0.839 27.791 28.738 -0.180 0.000 0.956 209 Q HN 0.356 nan 8.270 nan 0.000 0.483 210 D N -1.003 119.192 120.400 -0.342 0.000 2.379 210 D HA 0.116 4.746 4.640 -0.018 0.000 0.208 210 D C 0.981 177.249 176.300 -0.053 0.000 1.065 210 D CA -0.082 53.815 54.000 -0.172 0.000 0.848 210 D CB -0.003 40.738 40.800 -0.100 0.000 0.949 210 D HN 0.259 nan 8.370 nan 0.000 0.509 211 F N 2.368 122.250 119.950 -0.114 0.000 2.087 211 F HA -0.245 4.271 4.527 -0.018 0.000 0.299 211 F C 2.420 178.086 175.800 -0.223 0.000 1.100 211 F CA 1.078 59.021 58.000 -0.095 0.000 1.226 211 F CB -0.173 38.817 39.000 -0.017 0.000 0.983 211 F HN 0.061 nan 8.300 nan 0.000 0.479 212 E N 0.803 120.754 120.200 -0.415 0.000 2.482 212 E HA -0.091 4.248 4.350 -0.018 0.000 0.196 212 E C 1.647 178.145 176.600 -0.169 0.000 1.047 212 E CA 0.456 56.499 56.400 -0.595 0.000 0.869 212 E CB -0.172 28.870 29.700 -1.096 0.000 0.836 212 E HN 0.511 nan 8.360 nan 0.000 0.520 213 R N 0.382 120.828 120.500 -0.090 0.000 2.221 213 R HA 0.206 4.535 4.340 -0.018 0.000 0.195 213 R C 1.299 177.611 176.300 0.020 0.000 0.956 213 R CA 0.307 56.391 56.100 -0.026 0.000 1.064 213 R CB 0.416 30.694 30.300 -0.036 0.000 1.049 213 R HN -0.052 nan 8.270 nan 0.000 0.534 214 K N 0.156 120.589 120.400 0.056 0.000 2.478 214 K HA 0.211 4.520 4.320 -0.018 0.000 0.205 214 K C -0.487 176.174 176.600 0.102 0.000 1.033 214 K CA 0.088 56.421 56.287 0.076 0.000 1.091 214 K CB 1.739 34.290 32.500 0.084 0.000 0.844 214 K HN -0.138 nan 8.250 nan 0.000 0.507 215 T N 0.787 115.407 114.554 0.110 0.000 2.886 215 T HA 0.264 4.603 4.350 -0.018 0.000 0.292 215 T C 1.178 175.911 174.700 0.055 0.000 1.012 215 T CA -0.651 61.516 62.100 0.111 0.000 0.982 215 T CB 1.222 70.228 68.868 0.229 0.000 1.018 215 T HN -0.093 nan 8.240 nan 0.000 0.451 216 I N 3.013 123.552 120.570 -0.051 0.000 2.236 216 I HA -0.155 4.004 4.170 -0.018 0.000 0.249 216 I C 1.885 178.094 176.117 0.152 0.000 1.102 216 I CA 1.862 63.188 61.300 0.042 0.000 1.365 216 I CB -0.369 37.653 38.000 0.036 0.000 1.051 216 I HN 0.652 nan 8.210 nan 0.000 0.420 217 L N -0.410 120.791 121.223 -0.036 0.000 2.529 217 L HA 0.100 4.429 4.340 -0.018 0.000 0.223 217 L C 2.491 179.455 176.870 0.157 0.000 1.113 217 L CA 0.415 55.259 54.840 0.007 0.000 0.861 217 L CB -0.508 41.416 42.059 -0.225 0.000 1.012 217 L HN 0.202 nan 8.230 nan 0.000 0.461 218 G N 1.808 110.754 108.800 0.243 0.000 2.553 218 G HA2 -0.236 3.713 3.960 -0.018 0.000 0.218 218 G HA3 -0.236 3.713 3.960 -0.018 0.000 0.218 218 G C -0.774 174.259 174.900 0.221 0.000 1.195 218 G CA 0.884 46.167 45.100 0.306 0.000 0.779 218 G HN 0.281 nan 8.290 nan 0.000 0.577 219 P HA -0.044 nan 4.420 nan 0.000 0.216 219 P C 2.179 179.659 177.300 0.301 0.000 1.153 219 P CA 1.212 64.392 63.100 0.135 0.000 0.848 219 P CB -0.203 31.399 31.700 -0.164 0.000 0.787 220 I N -4.117 116.567 120.570 0.190 0.000 2.439 220 I HA -0.116 4.043 4.170 -0.018 0.000 0.251 220 I C 1.858 178.081 176.117 0.178 0.000 1.139 220 I CA 1.418 62.840 61.300 0.203 0.000 1.438 220 I CB -1.116 36.820 38.000 -0.107 0.000 1.085 220 I HN -0.144 nan 8.210 nan 0.000 0.427 221 L N 1.777 123.137 121.223 0.229 0.000 2.275 221 L HA -0.095 4.234 4.340 -0.018 0.000 0.215 221 L C 2.600 179.673 176.870 0.337 0.000 1.119 221 L CA 1.368 56.367 54.840 0.267 0.000 0.790 221 L CB -0.388 41.875 42.059 0.340 0.000 0.919 221 L HN 0.493 nan 8.230 nan 0.000 0.443 222 S N -1.234 114.697 115.700 0.385 0.000 2.575 222 S HA 0.086 4.545 4.470 -0.018 0.000 0.215 222 S C 0.671 175.341 174.600 0.116 0.000 0.966 222 S CA -0.408 57.974 58.200 0.303 0.000 0.911 222 S CB -0.155 63.181 63.200 0.227 0.000 0.780 222 S HN 0.035 nan 8.310 nan 0.000 0.514 223 L N 3.184 124.446 121.223 0.065 0.000 2.500 223 L HA 0.552 4.882 4.340 -0.018 0.000 0.272 223 L C 0.341 177.127 176.870 -0.141 0.000 1.149 223 L CA 0.471 55.238 54.840 -0.121 0.000 0.897 223 L CB -0.067 41.872 42.059 -0.199 0.000 1.178 223 L HN 0.440 nan 8.230 nan 0.000 0.473 224 S N 5.062 120.617 115.700 -0.241 0.000 2.580 224 S HA 0.508 4.967 4.470 -0.018 0.000 0.281 224 S C -2.403 171.975 174.600 -0.368 0.000 1.129 224 S CA -0.689 57.277 58.200 -0.391 0.000 0.862 224 S CB 1.812 64.819 63.200 -0.322 0.000 1.090 224 S HN 0.380 nan 8.310 nan 0.000 0.451 225 P HA 0.168 nan 4.420 nan 0.000 0.242 225 P C 0.894 178.117 177.300 -0.128 0.000 1.197 225 P CA 0.385 63.358 63.100 -0.212 0.000 0.765 225 P CB -0.537 31.088 31.700 -0.125 0.000 0.936 226 I N -2.517 117.918 120.570 -0.226 0.000 3.850 226 I HA 0.418 4.577 4.170 -0.018 0.000 0.333 226 I C -0.058 176.000 176.117 -0.099 0.000 1.511 226 I CA -0.802 60.418 61.300 -0.134 0.000 1.199 226 I CB -0.452 37.411 38.000 -0.228 0.000 1.217 226 I HN -0.249 nan 8.210 nan 0.000 0.423 227 E N 1.610 121.760 120.200 -0.084 0.000 2.197 227 E HA 0.580 4.920 4.350 -0.018 0.000 0.281 227 E C 1.073 177.658 176.600 -0.025 0.000 0.995 227 E CA 0.060 56.421 56.400 -0.064 0.000 0.808 227 E CB 1.990 31.643 29.700 -0.077 0.000 1.093 227 E HN 0.302 nan 8.360 nan 0.000 0.394 228 A N 4.927 127.736 122.820 -0.018 0.000 1.869 228 A HA -0.266 4.043 4.320 -0.018 0.000 0.218 228 A C 2.162 179.739 177.584 -0.013 0.000 1.203 228 A CA 2.663 54.703 52.037 0.004 0.000 0.638 228 A CB -1.462 17.535 19.000 -0.005 0.000 0.831 228 A HN 0.889 nan 8.150 nan 0.000 0.450 229 A N -1.111 121.669 122.820 -0.067 0.000 1.978 229 A HA 0.021 4.330 4.320 -0.018 0.000 0.220 229 A C 2.207 179.755 177.584 -0.060 0.000 1.170 229 A CA 1.905 53.879 52.037 -0.105 0.000 0.636 229 A CB -0.807 18.051 19.000 -0.237 0.000 0.810 229 A HN 0.475 nan 8.150 nan 0.000 0.448 230 V N -0.530 119.359 119.914 -0.042 0.000 2.379 230 V HA -0.157 3.952 4.120 -0.018 0.000 0.245 230 V C 3.008 179.121 176.094 0.031 0.000 1.044 230 V CA 1.688 63.972 62.300 -0.027 0.000 1.036 230 V CB -1.144 30.649 31.823 -0.050 0.000 0.664 230 V HN 0.600 nan 8.190 nan 0.000 0.453 231 A N 0.216 123.098 122.820 0.103 0.000 1.877 231 A HA -0.163 4.146 4.320 -0.018 0.000 0.216 231 A C 2.184 179.907 177.584 0.232 0.000 1.186 231 A CA 1.871 54.074 52.037 0.277 0.000 0.620 231 A CB -0.562 18.580 19.000 0.237 0.000 0.822 231 A HN 0.479 nan 8.150 nan 0.000 0.443 232 I N -0.853 119.785 120.570 0.113 0.000 2.163 232 I HA -0.287 3.872 4.170 -0.018 0.000 0.243 232 I C 2.675 178.811 176.117 0.032 0.000 1.085 232 I CA 1.907 63.251 61.300 0.074 0.000 1.347 232 I CB -0.256 37.760 38.000 0.027 0.000 1.044 232 I HN 0.330 nan 8.210 nan 0.000 0.408 233 R N 1.267 121.763 120.500 -0.006 0.000 2.120 233 R HA -0.117 4.212 4.340 -0.018 0.000 0.234 233 R C 1.778 178.026 176.300 -0.087 0.000 1.123 233 R CA 1.663 57.738 56.100 -0.041 0.000 0.975 233 R CB -0.271 30.001 30.300 -0.047 0.000 0.866 233 R HN 0.376 nan 8.270 nan 0.000 0.446 234 N N -1.754 116.862 118.700 -0.141 0.000 2.414 234 N HA 0.013 4.742 4.740 -0.018 0.000 0.177 234 N C 0.454 175.673 175.510 -0.485 0.000 1.062 234 N CA 0.777 53.614 53.050 -0.356 0.000 0.890 234 N CB 0.387 38.556 38.487 -0.530 0.000 1.070 234 N HN 0.240 nan 8.380 nan 0.000 0.454 235 Y N -0.345 119.914 120.300 -0.067 0.000 2.736 235 Y HA 0.318 4.857 4.550 -0.018 0.000 0.272 235 Y C 2.398 178.247 175.900 -0.085 0.000 1.118 235 Y CA 0.170 58.192 58.100 -0.130 0.000 1.248 235 Y CB -0.632 37.792 38.460 -0.059 0.000 1.437 235 Y HN -0.102 nan 8.280 nan 0.000 0.481 236 G N 0.048 108.941 108.800 0.156 0.000 2.479 236 G HA2 -0.296 3.653 3.960 -0.018 0.000 0.220 236 G HA3 -0.296 3.653 3.960 -0.018 0.000 0.220 236 G C 1.227 176.149 174.900 0.037 0.000 1.115 236 G CA 1.319 46.477 45.100 0.098 0.000 0.757 236 G HN 0.326 nan 8.290 nan 0.000 0.560 237 D N 0.637 121.041 120.400 0.006 0.000 2.192 237 D HA -0.187 4.442 4.640 -0.018 0.000 0.189 237 D C 0.776 177.058 176.300 -0.030 0.000 1.007 237 D CA 1.383 55.368 54.000 -0.026 0.000 0.859 237 D CB 0.009 40.770 40.800 -0.065 0.000 0.936 237 D HN 0.343 nan 8.370 nan 0.000 0.447 238 N N -1.059 117.615 118.700 -0.043 0.000 2.793 238 N HA 0.062 4.791 4.740 -0.018 0.000 0.251 238 N C -0.294 175.175 175.510 -0.067 0.000 1.308 238 N CA -0.167 52.855 53.050 -0.046 0.000 0.781 238 N CB 0.008 38.459 38.487 -0.060 0.000 1.439 238 N HN 0.017 nan 8.380 nan 0.000 0.562 239 L N 1.816 123.031 121.223 -0.014 0.000 2.610 239 L HA 0.182 4.511 4.340 -0.018 0.000 0.232 239 L C 1.005 177.903 176.870 0.047 0.000 1.149 239 L CA 0.739 55.596 54.840 0.028 0.000 0.872 239 L CB 0.029 42.182 42.059 0.157 0.000 0.992 239 L HN 0.492 nan 8.230 nan 0.000 0.447 240 L N -0.955 120.271 121.223 0.006 0.000 2.910 240 L HA 0.223 4.552 4.340 -0.018 0.000 0.252 240 L C 0.772 177.637 176.870 -0.008 0.000 1.195 240 L CA -0.291 54.562 54.840 0.023 0.000 1.003 240 L CB -0.146 41.925 42.059 0.020 0.000 1.328 240 L HN 0.108 nan 8.230 nan 0.000 0.540 241 R N 1.161 121.626 120.500 -0.058 0.000 2.679 241 R HA 0.092 4.421 4.340 -0.018 0.000 0.268 241 R C 0.819 177.097 176.300 -0.037 0.000 1.044 241 R CA 0.047 56.102 56.100 -0.074 0.000 1.105 241 R CB 0.750 30.961 30.300 -0.148 0.000 0.989 241 R HN 0.250 nan 8.270 nan 0.000 0.447 242 S N 1.921 117.606 115.700 -0.025 0.000 2.589 242 S HA 0.056 4.515 4.470 -0.018 0.000 0.265 242 S C 1.020 175.622 174.600 0.003 0.000 1.342 242 S CA -0.721 57.478 58.200 -0.001 0.000 1.005 242 S CB 1.028 64.227 63.200 -0.002 0.000 0.909 242 S HN 0.456 nan 8.310 nan 0.000 0.555 243 K N 1.018 121.436 120.400 0.031 0.000 2.059 243 K HA -0.242 4.067 4.320 -0.018 0.000 0.212 243 K C 2.233 178.850 176.600 0.028 0.000 1.050 243 K CA 2.096 58.413 56.287 0.050 0.000 0.927 243 K CB -0.814 31.720 32.500 0.057 0.000 0.714 243 K HN 0.875 nan 8.250 nan 0.000 0.447 244 Q N 1.038 120.847 119.800 0.014 0.000 2.096 244 Q HA -0.198 4.131 4.340 -0.018 0.000 0.204 244 Q C 2.161 178.151 176.000 -0.016 0.000 0.982 244 Q CA 1.569 57.376 55.803 0.006 0.000 0.850 244 Q CB 0.065 28.805 28.738 0.003 0.000 0.901 244 Q HN 0.377 nan 8.270 nan 0.000 0.422 245 Q N -0.878 118.902 119.800 -0.035 0.000 2.079 245 Q HA -0.117 4.213 4.340 -0.018 0.000 0.200 245 Q C 2.026 177.962 176.000 -0.107 0.000 0.974 245 Q CA 1.843 57.608 55.803 -0.065 0.000 0.840 245 Q CB 0.145 28.842 28.738 -0.069 0.000 0.898 245 Q HN 0.392 nan 8.270 nan 0.000 0.430 246 T N 0.670 115.148 114.554 -0.126 0.000 2.788 246 T HA -0.141 4.198 4.350 -0.018 0.000 0.268 246 T C 1.853 176.411 174.700 -0.236 0.000 1.044 246 T CA 1.070 63.036 62.100 -0.224 0.000 1.139 246 T CB -0.274 68.469 68.868 -0.207 0.000 0.867 246 T HN 0.386 nan 8.240 nan 0.000 0.454 247 A N 2.226 125.010 122.820 -0.060 0.000 1.883 247 A HA -0.131 4.179 4.320 -0.018 0.000 0.217 247 A C 2.354 179.953 177.584 0.025 0.000 1.186 247 A CA 1.730 53.798 52.037 0.051 0.000 0.624 247 A CB -0.723 18.322 19.000 0.075 0.000 0.822 247 A HN 0.480 nan 8.150 nan 0.000 0.444 248 M N -0.834 118.753 119.600 -0.022 0.000 2.149 248 M HA -0.133 4.336 4.480 -0.018 0.000 0.261 248 M C 2.113 178.387 176.300 -0.044 0.000 1.064 248 M CA 1.520 56.804 55.300 -0.026 0.000 1.102 248 M CB -0.827 31.749 32.600 -0.041 0.000 1.369 248 M HN 0.407 nan 8.290 nan 0.000 0.408 249 I N -0.774 119.734 120.570 -0.104 0.000 2.233 249 I HA -0.251 3.908 4.170 -0.018 0.000 0.243 249 I C 2.561 178.674 176.117 -0.007 0.000 1.093 249 I CA 0.958 62.164 61.300 -0.156 0.000 1.380 249 I CB -0.760 37.029 38.000 -0.351 0.000 1.067 249 I HN 0.252 nan 8.210 nan 0.000 0.413 250 H N 1.386 120.525 119.070 0.114 0.000 2.321 250 H HA -0.210 4.335 4.556 -0.018 0.000 0.295 250 H C 2.157 177.501 175.328 0.027 0.000 1.102 250 H CA 1.727 57.861 56.048 0.142 0.000 1.266 250 H CB -0.534 29.321 29.762 0.155 0.000 1.363 250 H HN 0.452 nan 8.280 nan 0.000 0.492 251 E N 0.255 120.532 120.200 0.128 0.000 2.077 251 E HA -0.119 4.220 4.350 -0.018 0.000 0.193 251 E C 2.422 179.027 176.600 0.008 0.000 0.989 251 E CA 1.362 57.782 56.400 0.033 0.000 0.800 251 E CB 0.005 29.720 29.700 0.026 0.000 0.746 251 E HN 0.377 nan 8.360 nan 0.000 0.452 252 S N 1.504 117.210 115.700 0.009 0.000 2.359 252 S HA -0.154 4.305 4.470 -0.018 0.000 0.224 252 S C 2.119 176.732 174.600 0.022 0.000 1.035 252 S CA 0.999 59.202 58.200 0.004 0.000 1.018 252 S CB -0.348 62.840 63.200 -0.020 0.000 0.876 252 S HN 0.167 nan 8.310 nan 0.000 0.448 253 L N 1.173 122.414 121.223 0.030 0.000 2.201 253 L HA -0.113 4.217 4.340 -0.018 0.000 0.212 253 L C 2.786 179.712 176.870 0.094 0.000 1.105 253 L CA 1.003 55.878 54.840 0.059 0.000 0.775 253 L CB -0.536 41.570 42.059 0.079 0.000 0.913 253 L HN 0.360 nan 8.230 nan 0.000 0.440 254 Q N -0.175 119.633 119.800 0.012 0.000 2.046 254 Q HA -0.148 4.181 4.340 -0.018 0.000 0.200 254 Q C 2.532 178.534 176.000 0.004 0.000 0.975 254 Q CA 1.480 57.175 55.803 -0.180 0.000 0.836 254 Q CB -0.292 28.017 28.738 -0.714 0.000 0.896 254 Q HN 0.536 nan 8.270 nan 0.000 0.428 255 A N 1.468 124.292 122.820 0.006 0.000 1.892 255 A HA -0.305 4.004 4.320 -0.018 0.000 0.218 255 A C 1.964 179.618 177.584 0.117 0.000 1.188 255 A CA 1.923 53.998 52.037 0.064 0.000 0.631 255 A CB -0.620 18.404 19.000 0.040 0.000 0.822 255 A HN 0.475 nan 8.150 nan 0.000 0.447 256 E N -1.428 118.847 120.200 0.124 0.000 2.107 256 E HA -0.233 4.106 4.350 -0.018 0.000 0.191 256 E C 1.903 178.633 176.600 0.217 0.000 0.982 256 E CA 1.008 57.502 56.400 0.156 0.000 0.809 256 E CB -0.351 29.431 29.700 0.137 0.000 0.756 256 E HN 0.854 nan 8.360 nan 0.000 0.459 257 H N 0.165 119.300 119.070 0.109 0.000 2.353 257 H HA -0.080 4.465 4.556 -0.018 0.000 0.300 257 H C 2.081 177.489 175.328 0.133 0.000 1.090 257 H CA 1.232 57.351 56.048 0.118 0.000 1.327 257 H CB 0.294 30.166 29.762 0.183 0.000 1.383 257 H HN 0.035 nan 8.280 nan 0.000 0.508 258 K N -0.015 120.507 120.400 0.203 0.000 2.020 258 K HA -0.151 4.158 4.320 -0.018 0.000 0.212 258 K C 2.176 178.807 176.600 0.051 0.000 1.050 258 K CA 1.703 58.035 56.287 0.075 0.000 0.929 258 K CB -0.040 32.538 32.500 0.129 0.000 0.714 258 K HN 0.108 nan 8.250 nan 0.000 0.443 259 V N 0.710 120.682 119.914 0.097 0.000 2.343 259 V HA -0.236 3.874 4.120 -0.018 0.000 0.247 259 V C 2.275 178.435 176.094 0.110 0.000 1.051 259 V CA 1.550 63.907 62.300 0.094 0.000 1.036 259 V CB -0.368 31.521 31.823 0.110 0.000 0.654 259 V HN 0.118 nan 8.190 nan 0.000 0.451 260 V N -0.109 119.891 119.914 0.144 0.000 2.287 260 V HA -0.261 3.848 4.120 -0.018 0.000 0.248 260 V C 2.327 178.473 176.094 0.088 0.000 1.053 260 V CA 1.899 64.285 62.300 0.143 0.000 1.027 260 V CB -0.542 31.369 31.823 0.147 0.000 0.646 260 V HN 0.390 nan 8.190 nan 0.000 0.447 261 I N 0.070 120.650 120.570 0.016 0.000 2.252 261 I HA -0.168 3.992 4.170 -0.018 0.000 0.245 261 I C 2.314 178.454 176.117 0.038 0.000 1.102 261 I CA 1.522 62.801 61.300 -0.034 0.000 1.385 261 I CB -1.316 36.573 38.000 -0.185 0.000 1.064 261 I HN 0.354 nan 8.210 nan 0.000 0.414 262 D N 0.894 121.318 120.400 0.039 0.000 2.104 262 D HA -0.181 4.449 4.640 -0.018 0.000 0.194 262 D C 2.345 178.749 176.300 0.174 0.000 0.994 262 D CA 1.270 55.329 54.000 0.098 0.000 0.830 262 D CB -0.221 40.615 40.800 0.060 0.000 0.959 262 D HN 0.347 nan 8.370 nan 0.000 0.452 263 R N 0.027 120.602 120.500 0.125 0.000 2.115 263 R HA 0.031 4.360 4.340 -0.018 0.000 0.230 263 R C 2.543 178.948 176.300 0.174 0.000 1.111 263 R CA 0.462 56.638 56.100 0.127 0.000 0.976 263 R CB -0.208 30.148 30.300 0.093 0.000 0.870 263 R HN 0.222 nan 8.270 nan 0.000 0.445 264 L N -0.567 120.743 121.223 0.145 0.000 2.109 264 L HA -0.104 4.225 4.340 -0.018 0.000 0.207 264 L C 2.220 179.177 176.870 0.146 0.000 1.086 264 L CA 0.809 55.718 54.840 0.115 0.000 0.760 264 L CB -0.325 41.787 42.059 0.088 0.000 0.910 264 L HN 0.100 nan 8.230 nan 0.000 0.437 265 F N 0.482 120.442 119.950 0.016 0.000 2.102 265 F HA -0.297 4.219 4.527 -0.018 0.000 0.298 265 F C 2.376 178.190 175.800 0.023 0.000 1.105 265 F CA 1.401 59.371 58.000 -0.051 0.000 1.239 265 F CB -0.500 38.406 39.000 -0.157 0.000 0.991 265 F HN -0.007 nan 8.300 nan 0.000 0.474 266 F N 0.787 120.692 119.950 -0.075 0.000 2.087 266 F HA -0.286 4.230 4.527 -0.018 0.000 0.299 266 F C 2.084 177.782 175.800 -0.169 0.000 1.100 266 F CA 2.233 60.154 58.000 -0.133 0.000 1.226 266 F CB -0.580 38.419 39.000 -0.001 0.000 0.983 266 F HN 0.017 nan 8.300 nan 0.000 0.479 267 I N -0.402 120.280 120.570 0.187 0.000 2.142 267 I HA -0.311 3.848 4.170 -0.018 0.000 0.240 267 I C 2.214 178.242 176.117 -0.149 0.000 1.078 267 I CA 1.416 62.747 61.300 0.052 0.000 1.343 267 I CB -0.622 37.430 38.000 0.088 0.000 1.046 267 I HN 0.015 nan 8.210 nan 0.000 0.405 268 V N 0.482 120.332 119.914 -0.107 0.000 2.515 268 V HA -0.272 3.837 4.120 -0.018 0.000 0.250 268 V C 2.089 178.152 176.094 -0.051 0.000 1.058 268 V CA 2.046 64.328 62.300 -0.030 0.000 1.064 268 V CB -0.677 31.267 31.823 0.202 0.000 0.675 268 V HN 0.457 nan 8.190 nan 0.000 0.461 269 D N 0.258 120.484 120.400 -0.290 0.000 2.144 269 D HA -0.193 4.437 4.640 -0.018 0.000 0.199 269 D C 2.120 178.241 176.300 -0.299 0.000 0.984 269 D CA 1.187 55.005 54.000 -0.304 0.000 0.834 269 D CB -0.025 40.320 40.800 -0.759 0.000 0.955 269 D HN 0.202 nan 8.370 nan 0.000 0.465 270 K N -0.297 119.857 120.400 -0.410 0.000 2.074 270 K HA -0.067 4.242 4.320 -0.018 0.000 0.209 270 K C 2.117 178.562 176.600 -0.257 0.000 1.048 270 K CA 0.946 57.017 56.287 -0.358 0.000 0.926 270 K CB -0.262 32.001 32.500 -0.395 0.000 0.713 270 K HN 0.227 nan 8.250 nan 0.000 0.444 271 L N -0.521 120.555 121.223 -0.245 0.000 2.027 271 L HA -0.155 4.175 4.340 -0.018 0.000 0.206 271 L C 2.159 178.892 176.870 -0.229 0.000 1.074 271 L CA 0.814 55.520 54.840 -0.224 0.000 0.745 271 L CB -0.599 41.332 42.059 -0.213 0.000 0.898 271 L HN -0.036 nan 8.230 nan 0.000 0.433 272 V N 0.155 119.919 119.914 -0.249 0.000 2.469 272 V HA -0.280 3.829 4.120 -0.018 0.000 0.251 272 V C 2.522 178.424 176.094 -0.320 0.000 1.064 272 V CA 1.794 63.877 62.300 -0.361 0.000 1.066 272 V CB -0.637 30.910 31.823 -0.461 0.000 0.667 272 V HN 0.424 nan 8.190 nan 0.000 0.461 273 R N -0.436 119.925 120.500 -0.232 0.000 2.276 273 R HA 0.082 4.411 4.340 -0.018 0.000 0.196 273 R C 2.350 178.554 176.300 -0.160 0.000 0.961 273 R CA 0.670 56.657 56.100 -0.187 0.000 1.024 273 R CB -0.377 29.826 30.300 -0.160 0.000 0.940 273 R HN 0.575 nan 8.270 nan 0.000 0.480 274 G N 0.795 109.497 108.800 -0.163 0.000 2.459 274 G HA2 -0.234 3.716 3.960 -0.018 0.000 0.217 274 G HA3 -0.234 3.716 3.960 -0.018 0.000 0.217 274 G C 0.414 175.250 174.900 -0.107 0.000 1.183 274 G CA 1.187 46.212 45.100 -0.124 0.000 0.776 274 G HN 0.446 nan 8.290 nan 0.000 0.552 275 S N -2.598 113.027 115.700 -0.125 0.000 2.645 275 S HA 0.246 4.706 4.470 -0.018 0.000 0.268 275 S C 0.256 174.786 174.600 -0.116 0.000 1.110 275 S CA -0.028 58.111 58.200 -0.101 0.000 0.823 275 S CB 0.886 64.039 63.200 -0.078 0.000 1.091 275 S HN 0.487 nan 8.310 nan 0.000 0.466 276 L N 1.554 122.725 121.223 -0.086 0.000 2.127 276 L HA 0.001 4.330 4.340 -0.018 0.000 0.211 276 L C 1.864 178.701 176.870 -0.054 0.000 1.089 276 L CA 2.155 56.952 54.840 -0.072 0.000 0.757 276 L CB -0.992 41.047 42.059 -0.034 0.000 0.899 276 L HN 0.748 nan 8.230 nan 0.000 0.434 277 N N -0.784 117.886 118.700 -0.050 0.000 2.106 277 N HA -0.143 4.587 4.740 -0.018 0.000 0.188 277 N C 1.985 177.458 175.510 -0.061 0.000 1.029 277 N CA 1.605 54.635 53.050 -0.033 0.000 0.848 277 N CB -0.508 37.956 38.487 -0.038 0.000 1.007 277 N HN 0.325 nan 8.380 nan 0.000 0.423 278 S N 0.590 116.220 115.700 -0.117 0.000 2.368 278 S HA -0.118 4.341 4.470 -0.018 0.000 0.225 278 S C 1.907 176.406 174.600 -0.168 0.000 1.030 278 S CA 0.936 59.031 58.200 -0.176 0.000 0.999 278 S CB 0.033 63.121 63.200 -0.187 0.000 0.844 278 S HN 0.417 nan 8.310 nan 0.000 0.459 279 R N 0.757 121.148 120.500 -0.183 0.000 2.075 279 R HA -0.080 4.249 4.340 -0.018 0.000 0.232 279 R C 1.979 178.231 176.300 -0.080 0.000 1.126 279 R CA 1.913 57.867 56.100 -0.242 0.000 0.963 279 R CB -0.896 29.143 30.300 -0.436 0.000 0.858 279 R HN 0.255 nan 8.270 nan 0.000 0.435 280 T N 1.238 115.781 114.554 -0.018 0.000 2.788 280 T HA -0.104 4.235 4.350 -0.018 0.000 0.268 280 T C 1.022 175.787 174.700 0.108 0.000 1.044 280 T CA 1.625 63.761 62.100 0.061 0.000 1.139 280 T CB -0.296 68.647 68.868 0.124 0.000 0.867 280 T HN 0.345 nan 8.240 nan 0.000 0.454 281 D N 0.587 121.062 120.400 0.124 0.000 2.183 281 D HA 0.021 4.651 4.640 -0.018 0.000 0.203 281 D C 2.078 178.529 176.300 0.252 0.000 0.969 281 D CA 0.612 54.792 54.000 0.300 0.000 0.842 281 D CB -0.160 40.758 40.800 0.197 0.000 0.957 281 D HN 0.237 nan 8.370 nan 0.000 0.484 282 M N 0.280 119.897 119.600 0.029 0.000 2.086 282 M HA -0.111 4.358 4.480 -0.018 0.000 0.261 282 M C 2.065 178.323 176.300 -0.070 0.000 1.067 282 M CA 0.771 56.001 55.300 -0.117 0.000 1.116 282 M CB -0.705 31.782 32.600 -0.187 0.000 1.348 282 M HN 0.029 nan 8.290 nan 0.000 0.407 283 I N -0.035 120.537 120.570 0.004 0.000 2.194 283 I HA -0.269 3.890 4.170 -0.018 0.000 0.246 283 I C 2.763 178.889 176.117 0.015 0.000 1.093 283 I CA 1.707 62.964 61.300 -0.071 0.000 1.355 283 I CB -1.647 36.099 38.000 -0.424 0.000 1.046 283 I HN 0.338 nan 8.210 nan 0.000 0.413 284 S N -0.320 115.464 115.700 0.139 0.000 2.383 284 S HA -0.232 4.227 4.470 -0.018 0.000 0.227 284 S C 2.259 177.118 174.600 0.433 0.000 1.026 284 S CA 0.927 59.358 58.200 0.386 0.000 0.981 284 S CB -0.528 62.940 63.200 0.447 0.000 0.818 284 S HN 0.446 nan 8.310 nan 0.000 0.472 285 Y N 1.201 121.694 120.300 0.321 0.000 2.114 285 Y HA -0.076 4.463 4.550 -0.018 0.000 0.284 285 Y C 1.751 177.751 175.900 0.167 0.000 1.143 285 Y CA 2.038 60.259 58.100 0.202 0.000 1.135 285 Y CB -0.704 37.697 38.460 -0.099 0.000 0.980 285 Y HN 0.310 nan 8.280 nan 0.000 0.499 286 F N 0.145 120.242 119.950 0.245 0.000 2.216 286 F HA -0.105 4.412 4.527 -0.018 0.000 0.300 286 F C 2.571 178.507 175.800 0.226 0.000 1.085 286 F CA 0.832 58.923 58.000 0.152 0.000 1.326 286 F CB -1.507 37.554 39.000 0.103 0.000 1.027 286 F HN 0.194 nan 8.300 nan 0.000 0.497 287 A N -1.154 121.902 122.820 0.393 0.000 2.014 287 A HA -0.199 4.110 4.320 -0.018 0.000 0.218 287 A C 2.008 179.718 177.584 0.210 0.000 1.163 287 A CA 1.640 53.877 52.037 0.333 0.000 0.652 287 A CB -1.027 18.202 19.000 0.382 0.000 0.808 287 A HN 0.455 nan 8.150 nan 0.000 0.449 288 H N -0.044 119.056 119.070 0.050 0.000 2.333 288 H HA 0.024 4.569 4.556 -0.018 0.000 0.302 288 H C 1.712 176.910 175.328 -0.217 0.000 1.075 288 H CA 1.880 57.866 56.048 -0.105 0.000 1.348 288 H CB -0.260 29.383 29.762 -0.199 0.000 1.393 288 H HN 0.383 nan 8.280 nan 0.000 0.509 289 I N 0.335 120.728 120.570 -0.295 0.000 2.151 289 I HA -0.337 3.822 4.170 -0.018 0.000 0.243 289 I C 2.682 178.754 176.117 -0.075 0.000 1.080 289 I CA 1.375 62.553 61.300 -0.203 0.000 1.339 289 I CB -0.461 37.583 38.000 0.075 0.000 1.039 289 I HN 0.451 nan 8.210 nan 0.000 0.409 290 A N 0.697 123.449 122.820 -0.113 0.000 1.873 290 A HA -0.196 4.113 4.320 -0.018 0.000 0.215 290 A C 2.044 179.482 177.584 -0.244 0.000 1.186 290 A CA 1.813 53.674 52.037 -0.293 0.000 0.616 290 A CB -0.689 18.131 19.000 -0.301 0.000 0.823 290 A HN 0.417 nan 8.150 nan 0.000 0.442 291 N N -0.084 118.493 118.700 -0.204 0.000 2.205 291 N HA -0.128 4.601 4.740 -0.018 0.000 0.186 291 N C 0.960 176.101 175.510 -0.615 0.000 1.015 291 N CA 1.405 54.238 53.050 -0.362 0.000 0.862 291 N CB -0.206 38.175 38.487 -0.177 0.000 0.986 291 N HN 0.354 nan 8.380 nan 0.000 0.429 292 K N 0.278 120.437 120.400 -0.402 0.000 2.397 292 K HA 0.262 4.572 4.320 -0.018 0.000 0.202 292 K C 0.192 176.662 176.600 -0.218 0.000 1.022 292 K CA -0.014 56.101 56.287 -0.286 0.000 1.141 292 K CB 0.386 32.813 32.500 -0.122 0.000 0.857 292 K HN 0.092 nan 8.250 nan 0.000 0.514 293 N N -0.489 118.044 118.700 -0.278 0.000 2.291 293 N HA 0.074 4.803 4.740 -0.018 0.000 0.244 293 N C 0.161 175.538 175.510 -0.222 0.000 1.216 293 N CA 0.070 53.011 53.050 -0.180 0.000 0.879 293 N CB 0.400 38.837 38.487 -0.082 0.000 1.167 293 N HN 0.388 nan 8.380 nan 0.000 0.515 294 H N 0.137 118.928 119.070 -0.466 0.000 2.456 294 H HA 0.029 4.575 4.556 -0.018 0.000 0.296 294 H C 1.727 176.946 175.328 -0.182 0.000 1.079 294 H CA 0.662 56.316 56.048 -0.655 0.000 1.322 294 H CB 0.468 29.880 29.762 -0.584 0.000 1.388 294 H HN 0.119 nan 8.280 nan 0.000 0.538 295 L N 0.541 121.757 121.223 -0.011 0.000 2.549 295 L HA -0.096 4.233 4.340 -0.018 0.000 0.229 295 L C 2.136 179.010 176.870 0.007 0.000 1.158 295 L CA 0.456 55.300 54.840 0.006 0.000 0.842 295 L CB -0.170 41.866 42.059 -0.039 0.000 0.952 295 L HN 0.223 nan 8.230 nan 0.000 0.452 296 R N -0.218 120.299 120.500 0.028 0.000 2.200 296 R HA -0.086 4.243 4.340 -0.018 0.000 0.234 296 R C 1.507 177.858 176.300 0.084 0.000 1.127 296 R CA 0.723 56.858 56.100 0.058 0.000 0.989 296 R CB -0.044 30.299 30.300 0.072 0.000 0.869 296 R HN 0.235 nan 8.270 nan 0.000 0.459 297 R N -0.266 120.300 120.500 0.111 0.000 2.432 297 R HA 0.269 4.598 4.340 -0.018 0.000 0.260 297 R C 0.114 176.461 176.300 0.079 0.000 0.935 297 R CA -0.028 56.112 56.100 0.066 0.000 1.080 297 R CB 0.635 30.929 30.300 -0.011 0.000 1.155 297 R HN 0.055 nan 8.270 nan 0.000 0.531 298 A N 0.812 123.668 122.820 0.060 0.000 2.346 298 A HA 0.114 4.423 4.320 -0.018 0.000 0.252 298 A C 0.600 178.166 177.584 -0.030 0.000 1.089 298 A CA -0.291 51.765 52.037 0.032 0.000 0.797 298 A CB 0.426 19.438 19.000 0.019 0.000 1.047 298 A HN 0.009 nan 8.150 nan 0.000 0.494 299 D N 0.016 120.359 120.400 -0.096 0.000 2.149 299 D HA -0.067 4.563 4.640 -0.018 0.000 0.198 299 D C 0.148 176.120 176.300 -0.546 0.000 0.990 299 D CA 1.721 55.532 54.000 -0.315 0.000 0.839 299 D CB -0.071 40.485 40.800 -0.406 0.000 0.948 299 D HN 0.578 nan 8.370 nan 0.000 0.460 300 H N -0.512 118.559 119.070 0.003 0.000 2.716 300 H HA 0.332 4.877 4.556 -0.018 0.000 0.260 300 H C -2.359 172.850 175.328 -0.199 0.000 1.280 300 H CA -1.670 54.346 56.048 -0.054 0.000 1.506 300 H CB 0.679 30.428 29.762 -0.021 0.000 1.514 300 H HN -0.002 nan 8.280 nan 0.000 0.502 301 P HA 0.076 nan 4.420 nan 0.000 0.271 301 P C -2.290 174.568 177.300 -0.737 0.000 1.216 301 P CA -1.330 61.469 63.100 -0.502 0.000 0.771 301 P CB 0.465 31.800 31.700 -0.609 0.000 0.864 302 P HA 0.074 nan 4.420 nan 0.000 0.244 302 P C 0.249 177.416 177.300 -0.222 0.000 1.769 302 P CA -0.111 62.827 63.100 -0.269 0.000 1.102 302 P CB -0.372 31.249 31.700 -0.131 0.000 1.937 303 F N 1.453 121.422 119.950 0.032 0.000 2.154 303 F HA -0.174 4.342 4.527 -0.018 0.000 0.301 303 F C 2.095 177.871 175.800 -0.041 0.000 1.087 303 F CA 1.618 59.613 58.000 -0.007 0.000 1.274 303 F CB -1.036 37.982 39.000 0.029 0.000 1.009 303 F HN 0.154 nan 8.300 nan 0.000 0.485 304 K N -0.084 120.410 120.400 0.157 0.000 2.439 304 K HA -0.075 4.234 4.320 -0.018 0.000 0.197 304 K C 0.962 177.556 176.600 -0.010 0.000 1.041 304 K CA 0.843 57.169 56.287 0.064 0.000 0.970 304 K CB -0.169 32.369 32.500 0.064 0.000 0.773 304 K HN 0.364 nan 8.250 nan 0.000 0.479 305 E N 0.253 120.432 120.200 -0.035 0.000 2.501 305 E HA 0.178 4.518 4.350 -0.018 0.000 0.200 305 E C -0.464 176.060 176.600 -0.128 0.000 1.016 305 E CA -0.058 56.289 56.400 -0.088 0.000 0.921 305 E CB 0.509 30.160 29.700 -0.082 0.000 1.034 305 E HN 0.107 nan 8.360 nan 0.000 0.468 306 L N 0.057 121.221 121.223 -0.098 0.000 2.350 306 L HA 0.381 4.710 4.340 -0.018 0.000 0.260 306 L C 0.120 176.939 176.870 -0.084 0.000 1.015 306 L CA -0.972 53.809 54.840 -0.099 0.000 0.821 306 L CB 2.178 44.212 42.059 -0.041 0.000 1.370 306 L HN -0.096 nan 8.230 nan 0.000 0.416 307 S N 0.313 115.985 115.700 -0.046 0.000 2.580 307 S HA 0.152 4.611 4.470 -0.018 0.000 0.266 307 S C 0.133 174.766 174.600 0.054 0.000 1.354 307 S CA -0.542 57.677 58.200 0.032 0.000 1.008 307 S CB 0.903 64.284 63.200 0.302 0.000 0.898 307 S HN 0.696 nan 8.310 nan 0.000 0.555 308 S N 1.412 117.148 115.700 0.060 0.000 2.652 308 S HA 0.280 4.739 4.470 -0.018 0.000 0.270 308 S C 0.879 175.500 174.600 0.034 0.000 1.243 308 S CA -0.738 57.464 58.200 0.003 0.000 0.999 308 S CB 0.419 63.605 63.200 -0.022 0.000 0.973 308 S HN 0.606 nan 8.310 nan 0.000 0.544 309 N N 1.490 120.134 118.700 -0.093 0.000 2.120 309 N HA -0.028 4.702 4.740 -0.018 0.000 0.188 309 N C 1.888 177.348 175.510 -0.085 0.000 1.024 309 N CA 1.619 54.609 53.050 -0.099 0.000 0.852 309 N CB -1.203 37.165 38.487 -0.198 0.000 1.003 309 N HN 0.855 nan 8.380 nan 0.000 0.424 310 G N 0.070 108.817 108.800 -0.088 0.000 2.402 310 G HA2 -0.225 3.725 3.960 -0.018 0.000 0.216 310 G HA3 -0.225 3.725 3.960 -0.018 0.000 0.216 310 G C 1.416 176.330 174.900 0.024 0.000 1.162 310 G CA 0.210 45.239 45.100 -0.118 0.000 0.777 310 G HN 0.248 nan 8.290 nan 0.000 0.539 311 F N 1.344 121.269 119.950 -0.041 0.000 2.046 311 F HA -0.081 4.435 4.527 -0.018 0.000 0.297 311 F C 2.715 178.548 175.800 0.055 0.000 1.123 311 F CA 1.659 59.678 58.000 0.032 0.000 1.199 311 F CB -0.074 38.968 39.000 0.069 0.000 0.972 311 F HN -0.006 nan 8.300 nan 0.000 0.474 312 M N -0.340 119.339 119.600 0.132 0.000 2.159 312 M HA -0.155 4.314 4.480 -0.018 0.000 0.263 312 M C 2.272 178.599 176.300 0.045 0.000 1.063 312 M CA 1.426 56.780 55.300 0.091 0.000 1.110 312 M CB -1.583 31.111 32.600 0.156 0.000 1.374 312 M HN 0.127 nan 8.290 nan 0.000 0.411 313 S N 0.947 116.641 115.700 -0.009 0.000 2.368 313 S HA -0.077 4.382 4.470 -0.018 0.000 0.224 313 S C 1.705 176.268 174.600 -0.062 0.000 1.029 313 S CA 1.011 59.199 58.200 -0.019 0.000 0.988 313 S CB -0.305 62.792 63.200 -0.170 0.000 0.838 313 S HN 0.444 nan 8.310 nan 0.000 0.462 314 N N 1.659 120.299 118.700 -0.100 0.000 2.120 314 N HA 0.056 4.786 4.740 -0.018 0.000 0.188 314 N C 1.610 176.985 175.510 -0.225 0.000 1.024 314 N CA 0.942 53.931 53.050 -0.102 0.000 0.852 314 N CB -0.457 38.005 38.487 -0.042 0.000 1.003 314 N HN 0.377 nan 8.380 nan 0.000 0.424 315 I N 0.614 120.959 120.570 -0.376 0.000 2.226 315 I HA -0.249 3.911 4.170 -0.018 0.000 0.245 315 I C 1.868 177.567 176.117 -0.697 0.000 1.100 315 I CA 1.065 61.948 61.300 -0.696 0.000 1.374 315 I CB -0.589 36.805 38.000 -1.009 0.000 1.057 315 I HN 0.114 nan 8.210 nan 0.000 0.413 316 T N 1.477 115.763 114.554 -0.446 0.000 2.699 316 T HA -0.198 4.141 4.350 -0.018 0.000 0.268 316 T C 1.922 176.428 174.700 -0.323 0.000 1.036 316 T CA 1.450 63.352 62.100 -0.329 0.000 1.147 316 T CB -0.429 68.388 68.868 -0.085 0.000 0.862 316 T HN 0.258 nan 8.240 nan 0.000 0.446 317 L N 0.144 121.223 121.223 -0.239 0.000 2.093 317 L HA -0.000 4.329 4.340 -0.018 0.000 0.208 317 L C 2.475 179.191 176.870 -0.256 0.000 1.085 317 L CA 0.895 55.598 54.840 -0.229 0.000 0.755 317 L CB -0.554 41.401 42.059 -0.172 0.000 0.904 317 L HN 0.256 nan 8.230 nan 0.000 0.435 318 L N -0.722 120.369 121.223 -0.219 0.000 2.027 318 L HA -0.228 4.101 4.340 -0.018 0.000 0.206 318 L C 2.496 179.349 176.870 -0.028 0.000 1.074 318 L CA 1.217 56.005 54.840 -0.086 0.000 0.745 318 L CB -0.481 41.594 42.059 0.027 0.000 0.898 318 L HN 0.262 nan 8.230 nan 0.000 0.433 319 L N -0.872 120.260 121.223 -0.152 0.000 2.046 319 L HA -0.198 4.131 4.340 -0.018 0.000 0.208 319 L C 2.576 179.324 176.870 -0.202 0.000 1.077 319 L CA 0.830 55.608 54.840 -0.103 0.000 0.747 319 L CB -0.502 41.337 42.059 -0.366 0.000 0.896 319 L HN 0.065 nan 8.230 nan 0.000 0.432 320 V N -0.175 119.518 119.914 -0.368 0.000 2.332 320 V HA -0.333 3.776 4.120 -0.018 0.000 0.248 320 V C 2.661 178.585 176.094 -0.283 0.000 1.055 320 V CA 1.890 63.938 62.300 -0.420 0.000 1.038 320 V CB -0.605 30.981 31.823 -0.394 0.000 0.651 320 V HN 0.419 nan 8.190 nan 0.000 0.450 321 R N -1.013 119.288 120.500 -0.330 0.000 2.075 321 R HA -0.091 4.238 4.340 -0.018 0.000 0.232 321 R C 2.210 178.301 176.300 -0.348 0.000 1.126 321 R CA 1.560 57.357 56.100 -0.505 0.000 0.963 321 R CB -0.277 29.470 30.300 -0.922 0.000 0.858 321 R HN 0.504 nan 8.270 nan 0.000 0.435 322 F N -0.196 119.790 119.950 0.060 0.000 2.333 322 F HA -0.127 4.389 4.527 -0.018 0.000 0.300 322 F C 2.326 178.100 175.800 -0.043 0.000 1.083 322 F CA 0.878 58.992 58.000 0.189 0.000 1.395 322 F CB 0.170 39.366 39.000 0.327 0.000 1.056 322 F HN 0.008 nan 8.300 nan 0.000 0.529 323 S N -0.952 114.702 115.700 -0.076 0.000 2.478 323 S HA -0.102 4.357 4.470 -0.018 0.000 0.222 323 S C 1.760 175.888 174.600 -0.787 0.000 1.008 323 S CA 0.149 58.026 58.200 -0.538 0.000 0.928 323 S CB -0.122 63.078 63.200 -0.001 0.000 0.781 323 S HN 0.376 nan 8.310 nan 0.000 0.518 324 Q N 1.174 120.747 119.800 -0.379 0.000 2.029 324 Q HA -0.156 4.173 4.340 -0.018 0.000 0.209 324 Q C -0.754 175.039 176.000 -0.345 0.000 0.999 324 Q CA 2.102 57.727 55.803 -0.296 0.000 0.857 324 Q CB -1.204 27.393 28.738 -0.234 0.000 0.926 324 Q HN 0.389 nan 8.270 nan 0.000 0.415 325 P HA -0.180 nan 4.420 nan 0.000 0.216 325 P C 0.585 177.853 177.300 -0.054 0.000 1.150 325 P CA 1.315 64.342 63.100 -0.121 0.000 0.843 325 P CB -0.182 31.540 31.700 0.035 0.000 0.787 326 F N -3.854 116.122 119.950 0.043 0.000 2.797 326 F HA 0.253 4.769 4.527 -0.018 0.000 0.302 326 F C 0.966 176.768 175.800 0.003 0.000 1.130 326 F CA 0.172 58.188 58.000 0.027 0.000 1.387 326 F CB -0.534 38.482 39.000 0.027 0.000 1.107 326 F HN -0.240 nan 8.300 nan 0.000 0.577 327 L N 2.219 123.384 121.223 -0.097 0.000 3.289 327 L HA 0.181 4.510 4.340 -0.018 0.000 0.291 327 L C 0.244 176.933 176.870 -0.302 0.000 1.279 327 L CA -0.690 54.077 54.840 -0.121 0.000 1.025 327 L CB -1.035 40.957 42.059 -0.112 0.000 1.413 327 L HN 0.244 nan 8.230 nan 0.000 0.593 328 D N -0.174 120.067 120.400 -0.265 0.000 2.361 328 D HA -0.047 4.582 4.640 -0.018 0.000 0.239 328 D C 1.718 177.687 176.300 -0.553 0.000 1.200 328 D CA -0.341 53.480 54.000 -0.298 0.000 0.915 328 D CB 1.405 42.102 40.800 -0.172 0.000 1.170 328 D HN 0.277 nan 8.370 nan 0.000 0.444 329 I N -1.697 118.611 120.570 -0.437 0.000 2.657 329 I HA -0.239 3.920 4.170 -0.018 0.000 0.261 329 I C 1.920 177.807 176.117 -0.382 0.000 1.212 329 I CA 1.313 62.322 61.300 -0.486 0.000 1.453 329 I CB -0.599 37.282 38.000 -0.198 0.000 1.092 329 I HN 0.300 nan 8.210 nan 0.000 0.452 330 S N -0.243 115.312 115.700 -0.243 0.000 2.489 330 S HA -0.126 4.333 4.470 -0.018 0.000 0.228 330 S C 1.125 175.771 174.600 0.077 0.000 0.995 330 S CA 0.094 58.266 58.200 -0.047 0.000 0.934 330 S CB -0.788 62.426 63.200 0.024 0.000 0.771 330 S HN 0.626 nan 8.310 nan 0.000 0.522 331 Y N 1.266 121.585 120.300 0.032 0.000 4.469 331 Y HA -0.285 4.254 4.550 -0.017 0.000 0.220 331 Y C 1.455 177.536 175.900 0.303 0.000 1.078 331 Y CA 0.785 58.946 58.100 0.101 0.000 1.881 331 Y CB -2.482 35.954 38.460 -0.040 0.000 1.608 331 Y HN 0.356 nan 8.280 nan 0.000 0.634 332 K N 0.189 120.805 120.400 0.360 0.000 2.209 332 K HA -0.125 4.184 4.320 -0.018 0.000 0.204 332 K C 1.230 177.951 176.600 0.201 0.000 1.048 332 K CA 1.549 58.017 56.287 0.303 0.000 0.940 332 K CB -0.102 32.510 32.500 0.186 0.000 0.729 332 K HN 0.393 nan 8.250 nan 0.000 0.451 333 K N 0.349 120.870 120.400 0.202 0.000 2.437 333 K HA 0.151 4.460 4.320 -0.018 0.000 0.205 333 K C 1.189 177.913 176.600 0.206 0.000 1.026 333 K CA -0.124 56.269 56.287 0.177 0.000 1.153 333 K CB 0.358 32.970 32.500 0.187 0.000 0.863 333 K HN 0.085 nan 8.250 nan 0.000 0.502 334 I N 2.249 122.987 120.570 0.279 0.000 2.614 334 I HA -0.233 3.926 4.170 -0.018 0.000 0.258 334 I C 1.171 177.419 176.117 0.218 0.000 1.189 334 I CA 1.431 62.909 61.300 0.295 0.000 1.462 334 I CB 0.209 38.452 38.000 0.404 0.000 1.092 334 I HN 0.237 nan 8.210 nan 0.000 0.442 335 D N -0.083 120.421 120.400 0.172 0.000 2.355 335 D HA -0.136 4.493 4.640 -0.018 0.000 0.218 335 D C 1.635 177.975 176.300 0.067 0.000 1.004 335 D CA 0.390 54.468 54.000 0.130 0.000 0.880 335 D CB -0.310 40.548 40.800 0.097 0.000 0.911 335 D HN 0.240 nan 8.370 nan 0.000 0.528 336 K N 0.486 120.898 120.400 0.020 0.000 2.147 336 K HA 0.013 4.322 4.320 -0.018 0.000 0.205 336 K C 0.929 177.446 176.600 -0.138 0.000 1.049 336 K CA 0.352 56.598 56.287 -0.068 0.000 0.936 336 K CB 0.013 32.433 32.500 -0.133 0.000 0.722 336 K HN 0.347 nan 8.250 nan 0.000 0.446 337 I N 2.917 123.378 120.570 -0.181 0.000 2.517 337 I HA -0.046 4.114 4.170 -0.018 0.000 0.285 337 I C 0.332 176.495 176.117 0.077 0.000 1.106 337 I CA -0.409 60.739 61.300 -0.253 0.000 1.402 337 I CB 0.185 37.728 38.000 -0.763 0.000 1.399 337 I HN -0.062 nan 8.210 nan 0.000 0.535 338 D N 5.963 126.443 120.400 0.135 0.000 2.339 338 D HA 0.187 4.817 4.640 -0.018 0.000 0.256 338 D C 0.932 177.501 176.300 0.448 0.000 1.214 338 D CA -0.079 54.071 54.000 0.250 0.000 0.877 338 D CB 1.566 42.497 40.800 0.219 0.000 1.111 338 D HN 0.640 nan 8.370 nan 0.000 0.478 339 A N 4.631 127.712 122.820 0.435 0.000 2.121 339 A HA -0.137 4.173 4.320 -0.018 0.000 0.218 339 A C 1.253 179.159 177.584 0.537 0.000 1.154 339 A CA 0.661 53.025 52.037 0.545 0.000 0.679 339 A CB -0.108 19.041 19.000 0.248 0.000 0.795 339 A HN 0.591 nan 8.150 nan 0.000 0.458 340 N N -1.180 117.737 118.700 0.361 0.000 2.320 340 N HA 0.073 4.802 4.740 -0.018 0.000 0.237 340 N C 0.543 176.175 175.510 0.203 0.000 1.129 340 N CA -0.142 53.097 53.050 0.315 0.000 0.854 340 N CB -0.154 38.459 38.487 0.212 0.000 1.083 340 N HN 0.573 nan 8.380 nan 0.000 0.504 341 Y N 0.584 120.854 120.300 -0.050 0.000 2.207 341 Y HA -0.155 4.384 4.550 -0.019 0.000 0.287 341 Y C 0.840 176.427 175.900 -0.521 0.000 1.156 341 Y CA 1.664 59.507 58.100 -0.429 0.000 1.182 341 Y CB -0.085 37.790 38.460 -0.974 0.000 0.979 341 Y HN -0.027 nan 8.280 nan 0.000 0.521 342 F N -0.986 118.944 119.950 -0.033 0.000 2.664 342 F HA 0.197 4.714 4.527 -0.017 0.000 0.303 342 F C 1.560 177.504 175.800 0.240 0.000 1.092 342 F CA -0.003 57.999 58.000 0.003 0.000 1.305 342 F CB -0.636 38.385 39.000 0.035 0.000 1.054 342 F HN 0.028 nan 8.300 nan 0.000 0.565 343 N N 0.825 119.748 118.700 0.371 0.000 2.573 343 N HA -0.081 4.648 4.740 -0.018 0.000 0.187 343 N C -0.276 175.314 175.510 0.133 0.000 1.107 343 N CA 0.336 53.625 53.050 0.399 0.000 0.918 343 N CB -0.103 38.546 38.487 0.270 0.000 0.966 343 N HN 0.307 nan 8.380 nan 0.000 0.448 344 N N 0.179 118.870 118.700 -0.014 0.000 2.321 344 N HA 0.352 5.081 4.740 -0.018 0.000 0.290 344 N C -3.139 171.972 175.510 -0.666 0.000 1.212 344 N CA -1.998 50.879 53.050 -0.287 0.000 0.767 344 N CB 0.186 38.527 38.487 -0.243 0.000 1.494 344 N HN -0.287 nan 8.380 nan 0.000 0.479 345 P HA -0.033 nan 4.420 nan 0.000 0.261 345 P C -0.135 176.889 177.300 -0.461 0.000 1.173 345 P CA 0.530 63.101 63.100 -0.881 0.000 0.760 345 P CB 0.345 31.704 31.700 -0.568 0.000 0.783 346 S N 2.143 117.656 115.700 -0.311 0.000 2.565 346 S HA 0.210 4.669 4.470 -0.018 0.000 0.276 346 S C 1.363 175.842 174.600 -0.201 0.000 1.326 346 S CA -0.467 57.596 58.200 -0.229 0.000 1.045 346 S CB 0.018 63.191 63.200 -0.046 0.000 0.918 346 S HN 0.283 nan 8.310 nan 0.000 0.505 347 L N 3.222 124.297 121.223 -0.247 0.000 2.416 347 L HA 0.218 4.547 4.340 -0.018 0.000 0.216 347 L C 0.739 177.219 176.870 -0.651 0.000 1.098 347 L CA 0.662 55.217 54.840 -0.474 0.000 0.840 347 L CB -0.119 41.588 42.059 -0.587 0.000 0.981 347 L HN 0.614 nan 8.230 nan 0.000 0.462 348 F N -1.181 118.805 119.950 0.059 0.000 2.421 348 F HA 0.304 4.820 4.527 -0.018 0.000 0.270 348 F C 0.978 176.870 175.800 0.154 0.000 0.894 348 F CA -0.726 57.345 58.000 0.119 0.000 1.128 348 F CB 0.305 39.404 39.000 0.166 0.000 1.011 348 F HN -0.331 nan 8.300 nan 0.000 0.788 349 I N 2.384 123.203 120.570 0.416 0.000 2.452 349 I HA 0.026 4.185 4.170 -0.018 0.000 0.287 349 I C -0.210 176.081 176.117 0.290 0.000 1.079 349 I CA -0.114 61.407 61.300 0.368 0.000 1.387 349 I CB 0.099 38.382 38.000 0.471 0.000 1.404 349 I HN 0.040 nan 8.210 nan 0.000 0.522 350 D N 7.619 128.174 120.400 0.258 0.000 2.336 350 D HA 0.136 4.765 4.640 -0.018 0.000 0.249 350 D C 0.459 176.945 176.300 0.310 0.000 1.213 350 D CA 0.098 54.235 54.000 0.227 0.000 0.870 350 D CB 1.023 41.914 40.800 0.152 0.000 1.076 350 D HN 0.460 nan 8.370 nan 0.000 0.483 351 L N 2.667 124.060 121.223 0.283 0.000 2.628 351 L HA 0.058 4.387 4.340 -0.018 0.000 0.229 351 L C 1.007 178.044 176.870 0.278 0.000 1.137 351 L CA -0.201 54.811 54.840 0.286 0.000 0.909 351 L CB -0.049 42.147 42.059 0.228 0.000 1.137 351 L HN 0.304 nan 8.230 nan 0.000 0.470 352 S N -0.067 115.834 115.700 0.336 0.000 2.533 352 S HA 0.355 4.814 4.470 -0.018 0.000 0.282 352 S C 1.288 176.170 174.600 0.469 0.000 1.304 352 S CA 0.279 58.773 58.200 0.489 0.000 1.063 352 S CB 1.151 64.556 63.200 0.342 0.000 0.881 352 S HN 0.526 nan 8.310 nan 0.000 0.493 353 G N 1.622 110.825 108.800 0.672 0.000 2.176 353 G HA2 -0.205 3.744 3.960 -0.018 0.000 0.253 353 G HA3 -0.205 3.744 3.960 -0.018 0.000 0.253 353 G C -0.187 174.948 174.900 0.392 0.000 0.979 353 G CA 0.076 45.451 45.100 0.459 0.000 0.641 353 G HN 0.757 nan 8.290 nan 0.000 0.530 354 E N 2.194 122.587 120.200 0.322 0.000 2.152 354 E HA 0.349 4.688 4.350 -0.018 0.000 0.285 354 E C 0.523 177.168 176.600 0.076 0.000 1.043 354 E CA 0.057 56.574 56.400 0.195 0.000 0.839 354 E CB 0.726 30.541 29.700 0.191 0.000 1.069 354 E HN 0.318 nan 8.360 nan 0.000 0.399 355 T N 4.444 119.052 114.554 0.090 0.000 2.940 355 T HA 0.114 4.454 4.350 -0.018 0.000 0.309 355 T C 0.640 175.290 174.700 -0.084 0.000 1.056 355 T CA -0.240 61.876 62.100 0.026 0.000 1.137 355 T CB 0.627 69.524 68.868 0.049 0.000 0.976 355 T HN 0.114 nan 8.240 nan 0.000 0.547 356 R N 2.023 122.453 120.500 -0.117 0.000 2.782 356 R HA 0.464 4.793 4.340 -0.018 0.000 0.258 356 R C 1.486 177.679 176.300 -0.178 0.000 1.055 356 R CA -1.006 54.980 56.100 -0.189 0.000 1.065 356 R CB 0.482 30.673 30.300 -0.182 0.000 1.172 356 R HN 0.521 nan 8.270 nan 0.000 0.510 357 L N 0.345 121.418 121.223 -0.250 0.000 2.027 357 L HA -0.099 4.230 4.340 -0.018 0.000 0.206 357 L C 0.743 177.519 176.870 -0.157 0.000 1.074 357 L CA 1.379 56.082 54.840 -0.228 0.000 0.745 357 L CB -0.144 41.672 42.059 -0.405 0.000 0.898 357 L HN 0.487 nan 8.230 nan 0.000 0.433 358 N N -0.348 118.234 118.700 -0.197 0.000 2.716 358 N HA 0.246 4.975 4.740 -0.018 0.000 0.245 358 N C -1.433 173.959 175.510 -0.198 0.000 1.495 358 N CA 0.085 53.042 53.050 -0.154 0.000 0.759 358 N CB 1.109 39.525 38.487 -0.118 0.000 1.261 358 N HN 0.024 nan 8.380 nan 0.000 0.515 359 S N 0.677 116.295 115.700 -0.137 0.000 2.622 359 S HA 0.397 4.856 4.470 -0.018 0.000 0.275 359 S C -2.225 172.359 174.600 -0.026 0.000 1.112 359 S CA -0.679 57.470 58.200 -0.086 0.000 0.837 359 S CB 0.620 63.770 63.200 -0.084 0.000 1.082 359 S HN 0.403 nan 8.310 nan 0.000 0.456 360 D N 0.942 121.355 120.400 0.021 0.000 2.467 360 D HA 0.450 5.079 4.640 -0.018 0.000 0.245 360 D C 1.078 177.416 176.300 0.063 0.000 1.038 360 D CA -0.756 53.280 54.000 0.059 0.000 1.038 360 D CB -0.122 40.730 40.800 0.086 0.000 1.278 360 D HN 0.365 nan 8.370 nan 0.000 0.564 361 F N 0.533 120.484 119.950 0.001 0.000 2.043 361 F HA -0.231 4.285 4.527 -0.019 0.000 0.297 361 F C 2.372 178.153 175.800 -0.032 0.000 1.118 361 F CA 2.019 60.011 58.000 -0.013 0.000 1.202 361 F CB -0.191 38.815 39.000 0.009 0.000 0.965 361 F HN 0.282 nan 8.300 nan 0.000 0.482 362 K N -0.127 120.398 120.400 0.207 0.000 2.059 362 K HA -0.263 4.046 4.320 -0.018 0.000 0.212 362 K C 1.961 178.587 176.600 0.044 0.000 1.050 362 K CA 2.121 58.475 56.287 0.112 0.000 0.927 362 K CB -0.527 32.024 32.500 0.085 0.000 0.714 362 K HN 0.440 nan 8.250 nan 0.000 0.447 363 E N 0.315 120.539 120.200 0.041 0.000 2.051 363 E HA -0.179 4.160 4.350 -0.018 0.000 0.192 363 E C 2.173 178.713 176.600 -0.100 0.000 0.991 363 E CA 1.096 57.518 56.400 0.037 0.000 0.799 363 E CB -0.144 29.632 29.700 0.126 0.000 0.748 363 E HN 0.346 nan 8.360 nan 0.000 0.449 364 A N 2.019 124.710 122.820 -0.216 0.000 1.877 364 A HA -0.222 4.088 4.320 -0.018 0.000 0.216 364 A C 1.841 178.936 177.584 -0.814 0.000 1.186 364 A CA 1.749 53.433 52.037 -0.589 0.000 0.620 364 A CB -0.431 18.247 19.000 -0.537 0.000 0.822 364 A HN 0.125 nan 8.150 nan 0.000 0.443 365 D N 0.041 120.149 120.400 -0.486 0.000 2.144 365 D HA -0.088 4.541 4.640 -0.018 0.000 0.199 365 D C 2.218 178.435 176.300 -0.139 0.000 0.984 365 D CA 1.491 55.322 54.000 -0.282 0.000 0.834 365 D CB -0.311 40.509 40.800 0.033 0.000 0.955 365 D HN 0.445 nan 8.370 nan 0.000 0.465 366 A N 0.481 123.244 122.820 -0.094 0.000 1.930 366 A HA -0.151 4.158 4.320 -0.018 0.000 0.217 366 A C 2.059 179.629 177.584 -0.023 0.000 1.175 366 A CA 0.750 52.773 52.037 -0.023 0.000 0.627 366 A CB -0.957 18.051 19.000 0.014 0.000 0.815 366 A HN 0.262 nan 8.150 nan 0.000 0.443 367 F N -0.695 119.075 119.950 -0.299 0.000 2.186 367 F HA -0.189 4.328 4.527 -0.017 0.000 0.299 367 F C 2.123 177.854 175.800 -0.116 0.000 1.090 367 F CA 1.528 59.340 58.000 -0.314 0.000 1.307 367 F CB -0.216 38.317 39.000 -0.778 0.000 1.019 367 F HN 0.381 nan 8.300 nan 0.000 0.489 368 Y N 0.577 120.777 120.300 -0.167 0.000 2.081 368 Y HA -0.367 4.173 4.550 -0.017 0.000 0.280 368 Y C 2.358 178.138 175.900 -0.200 0.000 1.163 368 Y CA 0.771 58.757 58.100 -0.190 0.000 1.135 368 Y CB -0.656 37.752 38.460 -0.086 0.000 0.970 368 Y HN 0.070 nan 8.280 nan 0.000 0.498 369 D N 0.396 120.821 120.400 0.042 0.000 2.177 369 D HA -0.238 4.391 4.640 -0.018 0.000 0.189 369 D C 1.871 178.127 176.300 -0.074 0.000 1.002 369 D CA 1.595 55.588 54.000 -0.011 0.000 0.845 369 D CB -0.498 40.301 40.800 -0.001 0.000 0.960 369 D HN 0.147 nan 8.370 nan 0.000 0.447 370 K N -0.236 120.095 120.400 -0.116 0.000 2.211 370 K HA -0.159 4.151 4.320 -0.018 0.000 0.204 370 K C 1.123 177.597 176.600 -0.209 0.000 1.047 370 K CA 1.288 57.489 56.287 -0.143 0.000 0.935 370 K CB 0.115 32.535 32.500 -0.134 0.000 0.728 370 K HN 0.073 nan 8.250 nan 0.000 0.452 371 N N -1.388 117.127 118.700 -0.309 0.000 2.765 371 N HA 0.030 4.759 4.740 -0.018 0.000 0.230 371 N C 0.290 175.689 175.510 -0.185 0.000 1.022 371 N CA 0.755 53.619 53.050 -0.310 0.000 1.106 371 N CB 0.199 38.340 38.487 -0.578 0.000 1.527 371 N HN 0.070 nan 8.380 nan 0.000 0.507 372 R N 0.160 120.559 120.500 -0.169 0.000 3.692 372 R HA -0.305 4.024 4.340 -0.018 0.000 0.302 372 R C -0.672 175.547 176.300 -0.134 0.000 0.595 372 R CA 1.721 57.732 56.100 -0.149 0.000 1.154 372 R CB -1.244 28.984 30.300 -0.120 0.000 0.832 372 R HN 0.248 nan 8.270 nan 0.000 0.575 373 K N -0.612 119.726 120.400 -0.104 0.000 1.911 373 K HA -0.064 4.245 4.320 -0.018 0.000 1.037 373 K C -0.975 175.578 176.600 -0.078 0.000 0.953 373 K CA 0.619 56.858 56.287 -0.080 0.000 0.921 373 K CB -0.129 32.321 32.500 -0.083 0.000 3.484 373 K HN 0.588 nan 8.250 nan 0.000 0.103 374 T N 1.969 116.488 114.554 -0.059 0.000 2.923 374 T HA 0.242 4.581 4.350 -0.018 0.000 0.304 374 T C 0.556 175.222 174.700 -0.057 0.000 1.044 374 T CA 0.581 62.650 62.100 -0.052 0.000 1.141 374 T CB 0.270 69.115 68.868 -0.038 0.000 1.023 374 T HN 0.538 nan 8.240 nan 0.000 0.533 375 A N 4.350 127.135 122.820 -0.059 0.000 2.561 375 A HA 0.323 4.633 4.320 -0.018 0.000 0.234 375 A C 1.187 178.742 177.584 -0.048 0.000 1.055 375 A CA 0.375 52.375 52.037 -0.062 0.000 0.756 375 A CB -0.193 18.771 19.000 -0.060 0.000 0.986 375 A HN 1.073 nan 8.150 nan 0.000 0.505 376 D N -0.775 119.596 120.400 -0.049 0.000 2.384 376 D HA -0.154 4.475 4.640 -0.018 0.000 0.170 376 D C 0.635 176.921 176.300 -0.023 0.000 1.010 376 D CA 1.859 55.840 54.000 -0.032 0.000 1.035 376 D CB -1.332 39.454 40.800 -0.024 0.000 1.093 376 D HN 0.765 nan 8.370 nan 0.000 0.476 377 S N 0.431 116.112 115.700 -0.031 0.000 4.120 377 S HA 0.311 4.770 4.470 -0.018 0.000 0.196 377 S C 0.715 175.303 174.600 -0.020 0.000 1.447 377 S CA -0.039 58.149 58.200 -0.021 0.000 0.939 377 S CB 0.050 63.234 63.200 -0.027 0.000 1.496 377 S HN 0.210 nan 8.310 nan 0.000 0.460 378 K N 1.972 122.373 120.400 0.002 0.000 4.564 378 K HA 0.538 4.847 4.320 -0.018 0.000 0.234 378 K C -1.182 175.463 176.600 0.076 0.000 1.062 378 K CA -0.609 55.688 56.287 0.017 0.000 1.948 378 K CB -1.438 31.069 32.500 0.011 0.000 2.935 378 K HN 0.121 nan 8.250 nan 0.000 0.681 379 P HA -0.108 nan 4.420 nan 0.000 0.199 379 P C -0.840 176.568 177.300 0.181 0.000 1.085 379 P CA 1.061 64.298 63.100 0.229 0.000 0.924 379 P CB -0.202 31.669 31.700 0.285 0.000 0.736 380 N N -3.964 114.822 118.700 0.143 0.000 3.174 380 N HA -0.173 4.556 4.740 -0.018 0.000 0.262 380 N C 0.113 175.673 175.510 0.084 0.000 1.657 380 N CA 0.244 53.352 53.050 0.098 0.000 1.671 380 N CB -1.462 37.064 38.487 0.065 0.000 0.798 380 N HN 0.071 nan 8.380 nan 0.000 0.491 381 F N 5.061 124.993 119.950 -0.031 0.000 2.095 381 F HA -0.094 4.422 4.527 -0.017 0.000 0.298 381 F C 1.667 177.421 175.800 -0.078 0.000 1.104 381 F CA 2.045 60.009 58.000 -0.060 0.000 1.232 381 F CB -0.246 38.711 39.000 -0.071 0.000 0.987 381 F HN 0.598 nan 8.300 nan 0.000 0.475 382 I N 0.594 121.015 120.570 -0.249 0.000 2.091 382 I HA -0.407 3.753 4.170 -0.018 0.000 0.240 382 I C 2.622 178.445 176.117 -0.490 0.000 1.046 382 I CA 2.143 63.103 61.300 -0.567 0.000 1.306 382 I CB -1.452 36.093 38.000 -0.759 0.000 1.018 382 I HN 0.116 nan 8.210 nan 0.000 0.404 383 S N -0.170 115.346 115.700 -0.307 0.000 2.368 383 S HA -0.185 4.274 4.470 -0.018 0.000 0.225 383 S C 1.732 176.189 174.600 -0.238 0.000 1.030 383 S CA 1.356 59.430 58.200 -0.209 0.000 0.999 383 S CB -0.416 62.773 63.200 -0.019 0.000 0.844 383 S HN 0.463 nan 8.310 nan 0.000 0.459 384 D N 0.629 120.929 120.400 -0.166 0.000 2.104 384 D HA -0.104 4.525 4.640 -0.018 0.000 0.194 384 D C 2.152 178.349 176.300 -0.171 0.000 0.994 384 D CA 0.920 54.855 54.000 -0.109 0.000 0.830 384 D CB -0.518 40.188 40.800 -0.158 0.000 0.959 384 D HN 0.403 nan 8.370 nan 0.000 0.452 385 C N -0.004 119.087 119.300 -0.349 0.000 2.446 385 C HA -0.111 4.338 4.460 -0.018 0.000 0.277 385 C C 2.618 177.593 174.990 -0.025 0.000 1.275 385 C CA 0.126 58.983 59.018 -0.267 0.000 1.727 385 C CB -1.528 25.910 27.740 -0.504 0.000 2.010 385 C HN 0.285 nan 8.230 nan 0.000 0.486 386 F N 0.974 120.857 119.950 -0.112 0.000 2.069 386 F HA -0.064 4.452 4.527 -0.019 0.000 0.298 386 F C 1.765 177.438 175.800 -0.211 0.000 1.113 386 F CA 2.165 60.094 58.000 -0.119 0.000 1.214 386 F CB -0.734 38.052 39.000 -0.357 0.000 0.978 386 F HN 0.237 nan 8.300 nan 0.000 0.474 387 F N -0.521 119.340 119.950 -0.148 0.000 2.259 387 F HA -0.105 4.411 4.527 -0.019 0.000 0.298 387 F C 2.073 177.908 175.800 0.058 0.000 1.088 387 F CA 0.535 58.469 58.000 -0.110 0.000 1.358 387 F CB -0.877 38.008 39.000 -0.193 0.000 1.040 387 F HN 0.011 nan 8.300 nan 0.000 0.505 388 L N 0.037 121.374 121.223 0.189 0.000 2.083 388 L HA -0.173 4.157 4.340 -0.018 0.000 0.209 388 L C 2.365 179.302 176.870 0.111 0.000 1.083 388 L CA 1.934 56.898 54.840 0.207 0.000 0.752 388 L CB -1.452 40.700 42.059 0.155 0.000 0.899 388 L HN 0.102 nan 8.230 nan 0.000 0.433 389 T N -0.554 113.927 114.554 -0.122 0.000 2.720 389 T HA -0.209 4.131 4.350 -0.018 0.000 0.268 389 T C 2.018 176.556 174.700 -0.272 0.000 1.037 389 T CA 1.533 63.414 62.100 -0.365 0.000 1.144 389 T CB -0.324 68.066 68.868 -0.796 0.000 0.864 389 T HN 0.240 nan 8.240 nan 0.000 0.444 390 L N 0.728 121.873 121.223 -0.131 0.000 2.083 390 L HA -0.111 4.218 4.340 -0.018 0.000 0.209 390 L C 2.905 179.877 176.870 0.170 0.000 1.083 390 L CA 1.115 56.013 54.840 0.096 0.000 0.752 390 L CB -0.944 41.224 42.059 0.181 0.000 0.899 390 L HN 0.309 nan 8.230 nan 0.000 0.433 391 T N -1.446 113.194 114.554 0.144 0.000 2.674 391 T HA -0.223 4.116 4.350 -0.018 0.000 0.265 391 T C 1.655 176.316 174.700 -0.065 0.000 1.039 391 T CA 1.528 63.530 62.100 -0.164 0.000 1.150 391 T CB -0.383 68.483 68.868 -0.004 0.000 0.864 391 T HN 0.211 nan 8.240 nan 0.000 0.427 392 Y N 0.757 121.014 120.300 -0.071 0.000 2.373 392 Y HA 0.146 4.686 4.550 -0.018 0.000 0.293 392 Y C 2.060 177.919 175.900 -0.069 0.000 1.129 392 Y CA -0.159 57.902 58.100 -0.064 0.000 1.226 392 Y CB -0.461 37.914 38.460 -0.142 0.000 1.000 392 Y HN 0.090 nan 8.280 nan 0.000 0.549 393 L N -0.551 120.703 121.223 0.052 0.000 2.127 393 L HA -0.221 4.108 4.340 -0.018 0.000 0.211 393 L C 2.130 179.051 176.870 0.085 0.000 1.089 393 L CA 2.073 56.930 54.840 0.029 0.000 0.757 393 L CB -0.657 41.406 42.059 0.007 0.000 0.899 393 L HN 0.304 nan 8.230 nan 0.000 0.434 394 H N -2.256 116.752 119.070 -0.103 0.000 2.337 394 H HA -0.012 4.533 4.556 -0.018 0.000 0.311 394 H C 1.690 176.874 175.328 -0.240 0.000 1.054 394 H CA 1.841 57.757 56.048 -0.219 0.000 1.385 394 H CB -0.289 29.186 29.762 -0.479 0.000 1.437 394 H HN 0.295 nan 8.280 nan 0.000 0.553 395 Y N -0.091 120.092 120.300 -0.195 0.000 2.395 395 Y HA 0.165 4.704 4.550 -0.018 0.000 0.293 395 Y C 2.451 178.262 175.900 -0.148 0.000 1.123 395 Y CA 0.835 58.781 58.100 -0.257 0.000 1.227 395 Y CB -0.406 37.920 38.460 -0.224 0.000 1.012 395 Y HN 0.362 nan 8.280 nan 0.000 0.552 396 G N -0.318 108.507 108.800 0.042 0.000 2.670 396 G HA2 -0.067 3.882 3.960 -0.018 0.000 0.219 396 G HA3 -0.067 3.882 3.960 -0.018 0.000 0.219 396 G C 1.544 176.521 174.900 0.129 0.000 1.342 396 G CA 0.247 45.408 45.100 0.103 0.000 0.902 396 G HN 0.224 nan 8.290 nan 0.000 0.553 397 L N 1.095 122.418 121.223 0.166 0.000 2.093 397 L HA 0.018 4.347 4.340 -0.018 0.000 0.208 397 L C 3.176 180.190 176.870 0.241 0.000 1.085 397 L CA 0.949 55.954 54.840 0.276 0.000 0.755 397 L CB -0.682 41.575 42.059 0.328 0.000 0.904 397 L HN 0.391 nan 8.230 nan 0.000 0.435 398 G N -0.124 108.751 108.800 0.126 0.000 2.469 398 G HA2 -0.249 3.700 3.960 -0.018 0.000 0.219 398 G HA3 -0.249 3.700 3.960 -0.018 0.000 0.219 398 G C 1.541 176.448 174.900 0.011 0.000 1.150 398 G CA 0.824 45.946 45.100 0.037 0.000 0.763 398 G HN 0.502 nan 8.290 nan 0.000 0.561 399 G N -0.408 108.408 108.800 0.027 0.000 2.484 399 G HA2 -0.017 3.932 3.960 -0.018 0.000 0.218 399 G HA3 -0.017 3.932 3.960 -0.018 0.000 0.218 399 G C 1.761 176.753 174.900 0.153 0.000 1.130 399 G CA 1.586 46.736 45.100 0.083 0.000 0.784 399 G HN 0.402 nan 8.290 nan 0.000 0.543 400 T N 1.431 116.093 114.554 0.180 0.000 2.896 400 T HA -0.050 4.290 4.350 -0.018 0.000 0.263 400 T C 2.349 177.248 174.700 0.331 0.000 1.050 400 T CA 1.283 63.544 62.100 0.269 0.000 1.140 400 T CB -0.144 68.923 68.868 0.331 0.000 0.877 400 T HN 0.327 nan 8.240 nan 0.000 0.457 401 L N 1.543 122.827 121.223 0.101 0.000 2.179 401 L HA 0.161 4.490 4.340 -0.018 0.000 0.208 401 L C 2.405 179.045 176.870 -0.385 0.000 1.096 401 L CA 1.588 56.093 54.840 -0.558 0.000 0.779 401 L CB -1.390 39.878 42.059 -1.318 0.000 0.922 401 L HN 0.170 nan 8.230 nan 0.000 0.443 402 S N -0.838 114.805 115.700 -0.095 0.000 2.406 402 S HA -0.127 4.333 4.470 -0.018 0.000 0.228 402 S C 1.966 176.644 174.600 0.130 0.000 1.020 402 S CA 0.732 58.942 58.200 0.015 0.000 0.965 402 S CB -1.226 62.016 63.200 0.069 0.000 0.798 402 S HN 0.431 nan 8.310 nan 0.000 0.488 403 F N 2.872 122.849 119.950 0.044 0.000 2.134 403 F HA -0.020 4.496 4.527 -0.018 0.000 0.299 403 F C 2.677 178.500 175.800 0.038 0.000 1.097 403 F CA 1.899 59.938 58.000 0.065 0.000 1.264 403 F CB -0.259 38.778 39.000 0.061 0.000 1.001 403 F HN 0.208 nan 8.300 nan 0.000 0.479 404 E N 0.502 120.799 120.200 0.160 0.000 2.158 404 E HA -0.224 4.116 4.350 -0.018 0.000 0.191 404 E C 2.100 178.727 176.600 0.045 0.000 0.982 404 E CA 1.091 57.553 56.400 0.104 0.000 0.823 404 E CB -0.241 29.642 29.700 0.306 0.000 0.766 404 E HN 0.647 nan 8.360 nan 0.000 0.468 405 E N 0.540 120.778 120.200 0.063 0.000 2.110 405 E HA -0.151 4.189 4.350 -0.018 0.000 0.193 405 E C 1.668 178.271 176.600 0.005 0.000 0.988 405 E CA 1.135 57.592 56.400 0.094 0.000 0.804 405 E CB 0.142 29.906 29.700 0.106 0.000 0.745 405 E HN 0.112 nan 8.360 nan 0.000 0.458 406 K N -0.333 120.044 120.400 -0.038 0.000 2.486 406 K HA 0.011 4.320 4.320 -0.018 0.000 0.194 406 K C 1.853 178.388 176.600 -0.110 0.000 1.033 406 K CA 0.372 56.623 56.287 -0.060 0.000 1.004 406 K CB 0.088 32.564 32.500 -0.040 0.000 0.798 406 K HN 0.256 nan 8.250 nan 0.000 0.495 407 M N 0.068 119.577 119.600 -0.152 0.000 2.254 407 M HA -0.066 4.403 4.480 -0.018 0.000 0.265 407 M C 2.263 178.483 176.300 -0.133 0.000 1.066 407 M CA 1.431 56.619 55.300 -0.187 0.000 1.123 407 M CB -0.398 32.068 32.600 -0.223 0.000 1.388 407 M HN 0.314 nan 8.290 nan 0.000 0.425 408 G N -0.251 108.483 108.800 -0.109 0.000 2.440 408 G HA2 -0.202 3.747 3.960 -0.018 0.000 0.218 408 G HA3 -0.202 3.747 3.960 -0.018 0.000 0.218 408 G C 1.581 176.431 174.900 -0.082 0.000 1.154 408 G CA 1.285 46.325 45.100 -0.100 0.000 0.767 408 G HN 0.441 nan 8.290 nan 0.000 0.552 409 S N 0.526 116.182 115.700 -0.072 0.000 2.387 409 S HA -0.042 4.417 4.470 -0.018 0.000 0.226 409 S C 2.112 176.680 174.600 -0.054 0.000 1.026 409 S CA 1.290 59.456 58.200 -0.057 0.000 0.972 409 S CB -0.181 62.991 63.200 -0.047 0.000 0.814 409 S HN 0.589 nan 8.310 nan 0.000 0.477 410 E N 0.935 121.095 120.200 -0.067 0.000 2.110 410 E HA -0.088 4.251 4.350 -0.018 0.000 0.193 410 E C 1.896 178.459 176.600 -0.061 0.000 0.988 410 E CA 0.974 57.336 56.400 -0.063 0.000 0.804 410 E CB -0.271 29.373 29.700 -0.093 0.000 0.745 410 E HN 0.462 nan 8.360 nan 0.000 0.458 411 I N 1.187 121.713 120.570 -0.074 0.000 2.202 411 I HA -0.287 3.872 4.170 -0.018 0.000 0.242 411 I C 2.584 178.671 176.117 -0.049 0.000 1.091 411 I CA 1.176 62.437 61.300 -0.065 0.000 1.368 411 I CB -0.164 37.788 38.000 -0.080 0.000 1.058 411 I HN 0.024 nan 8.210 nan 0.000 0.410 412 K N 1.476 121.847 120.400 -0.050 0.000 2.057 412 K HA -0.173 4.136 4.320 -0.018 0.000 0.206 412 K C 2.179 178.760 176.600 -0.032 0.000 1.050 412 K CA 1.513 57.776 56.287 -0.040 0.000 0.935 412 K CB -0.141 32.333 32.500 -0.043 0.000 0.715 412 K HN 0.262 nan 8.250 nan 0.000 0.439 413 A N 1.275 124.077 122.820 -0.031 0.000 1.902 413 A HA -0.130 4.179 4.320 -0.018 0.000 0.217 413 A C 2.050 179.621 177.584 -0.022 0.000 1.181 413 A CA 1.161 53.184 52.037 -0.024 0.000 0.623 413 A CB -0.592 18.397 19.000 -0.020 0.000 0.818 413 A HN 0.349 nan 8.150 nan 0.000 0.443 414 L N -0.026 121.182 121.223 -0.026 0.000 2.046 414 L HA -0.115 4.214 4.340 -0.018 0.000 0.208 414 L C 2.263 179.119 176.870 -0.024 0.000 1.077 414 L CA 2.011 56.836 54.840 -0.025 0.000 0.747 414 L CB -0.689 41.352 42.059 -0.029 0.000 0.896 414 L HN 0.369 nan 8.230 nan 0.000 0.432 415 K N -0.679 119.706 120.400 -0.025 0.000 2.103 415 K HA -0.198 4.112 4.320 -0.018 0.000 0.207 415 K C 1.915 178.503 176.600 -0.020 0.000 1.048 415 K CA 1.659 57.934 56.287 -0.021 0.000 0.930 415 K CB -0.115 32.373 32.500 -0.021 0.000 0.716 415 K HN 0.445 nan 8.250 nan 0.000 0.444 416 E N 0.566 120.755 120.200 -0.019 0.000 2.072 416 E HA -0.148 4.191 4.350 -0.018 0.000 0.191 416 E C 2.014 178.605 176.600 -0.015 0.000 0.985 416 E CA 0.713 57.103 56.400 -0.016 0.000 0.801 416 E CB 0.130 29.821 29.700 -0.015 0.000 0.750 416 E HN 0.199 nan 8.360 nan 0.000 0.452 417 E N 0.646 120.836 120.200 -0.016 0.000 2.077 417 E HA -0.168 4.171 4.350 -0.018 0.000 0.193 417 E C 2.126 178.712 176.600 -0.024 0.000 0.989 417 E CA 0.807 57.197 56.400 -0.017 0.000 0.800 417 E CB -0.110 29.579 29.700 -0.018 0.000 0.746 417 E HN 0.333 nan 8.360 nan 0.000 0.452 418 I N 0.964 121.518 120.570 -0.027 0.000 2.252 418 I HA -0.225 3.934 4.170 -0.018 0.000 0.245 418 I C 2.544 178.644 176.117 -0.028 0.000 1.102 418 I CA 0.965 62.245 61.300 -0.033 0.000 1.385 418 I CB -0.145 37.837 38.000 -0.030 0.000 1.064 418 I HN 0.087 nan 8.210 nan 0.000 0.414 419 E N 0.992 121.180 120.200 -0.021 0.000 2.058 419 E HA -0.311 4.028 4.350 -0.018 0.000 0.194 419 E C 2.188 178.779 176.600 -0.015 0.000 0.997 419 E CA 1.547 57.937 56.400 -0.016 0.000 0.801 419 E CB 0.014 29.707 29.700 -0.013 0.000 0.746 419 E HN 0.379 nan 8.360 nan 0.000 0.450 420 K N 0.351 120.744 120.400 -0.013 0.000 2.062 420 K HA -0.081 4.228 4.320 -0.018 0.000 0.205 420 K C 1.952 178.545 176.600 -0.011 0.000 1.051 420 K CA 1.061 57.344 56.287 -0.007 0.000 0.941 420 K CB 0.104 32.603 32.500 -0.001 0.000 0.719 420 K HN -0.043 nan 8.250 nan 0.000 0.440 421 V N 1.668 121.567 119.914 -0.025 0.000 2.759 421 V HA -0.135 3.975 4.120 -0.018 0.000 0.256 421 V C 1.880 177.944 176.094 -0.050 0.000 1.080 421 V CA 1.543 63.817 62.300 -0.043 0.000 1.101 421 V CB -0.387 31.393 31.823 -0.072 0.000 0.698 421 V HN 0.308 nan 8.190 nan 0.000 0.477 422 K N -0.063 120.314 120.400 -0.039 0.000 2.439 422 K HA -0.054 4.256 4.320 -0.018 0.000 0.197 422 K C 1.933 178.519 176.600 -0.024 0.000 1.041 422 K CA 0.681 56.947 56.287 -0.036 0.000 0.970 422 K CB -0.018 32.464 32.500 -0.030 0.000 0.773 422 K HN 0.442 nan 8.250 nan 0.000 0.479 423 K N 0.189 120.581 120.400 -0.014 0.000 2.361 423 K HA 0.100 4.410 4.320 -0.018 0.000 0.196 423 K C 0.300 176.904 176.600 0.007 0.000 1.039 423 K CA 0.165 56.452 56.287 -0.001 0.000 1.001 423 K CB 0.279 32.783 32.500 0.007 0.000 0.795 423 K HN 0.071 nan 8.250 nan 0.000 0.495 424 I N 1.853 122.423 120.570 0.000 0.000 2.648 424 I HA -0.048 4.111 4.170 -0.018 0.000 0.284 424 I C 0.098 176.223 176.117 0.013 0.000 1.153 424 I CA -0.258 61.054 61.300 0.020 0.000 1.426 424 I CB 0.924 38.924 38.000 -0.001 0.000 1.381 424 I HN 0.024 nan 8.210 nan 0.000 0.571 425 A N 6.331 129.185 122.820 0.056 0.000 2.273 425 A HA 0.725 5.034 4.320 -0.018 0.000 0.320 425 A C -0.016 177.639 177.584 0.118 0.000 1.358 425 A CA -0.479 51.594 52.037 0.061 0.000 0.910 425 A CB 0.455 19.492 19.000 0.062 0.000 1.159 425 A HN 0.777 nan 8.150 nan 0.000 0.526 426 A N 3.193 126.065 122.820 0.086 0.000 2.412 426 A HA 0.461 4.770 4.320 -0.018 0.000 0.334 426 A C 0.441 178.139 177.584 0.190 0.000 1.419 426 A CA -0.659 51.484 52.037 0.178 0.000 0.930 426 A CB -0.152 18.791 19.000 -0.095 0.000 1.149 426 A HN 0.715 nan 8.150 nan 0.000 0.515 427 N N 0.587 119.424 118.700 0.230 0.000 2.396 427 N HA -0.056 4.673 4.740 -0.018 0.000 0.180 427 N C 0.309 175.927 175.510 0.180 0.000 1.028 427 N CA 0.878 54.028 53.050 0.166 0.000 0.893 427 N CB -0.056 38.518 38.487 0.144 0.000 0.967 427 N HN 0.788 nan 8.380 nan 0.000 0.440 428 H N 0.074 119.242 119.070 0.164 0.000 2.467 428 H HA 0.059 4.604 4.556 -0.018 0.000 0.326 428 H C 0.173 175.591 175.328 0.150 0.000 1.094 428 H CA -0.188 55.943 56.048 0.138 0.000 1.253 428 H CB 1.461 31.311 29.762 0.146 0.000 1.439 428 H HN 0.014 nan 8.280 nan 0.000 0.479 429 D N 2.937 123.298 120.400 -0.066 0.000 2.104 429 D HA -0.171 4.458 4.640 -0.018 0.000 0.194 429 D C 1.914 178.307 176.300 0.156 0.000 0.994 429 D CA 1.454 55.471 54.000 0.028 0.000 0.830 429 D CB 0.407 41.177 40.800 -0.050 0.000 0.959 429 D HN 0.364 nan 8.370 nan 0.000 0.452 430 V N 0.152 120.228 119.914 0.271 0.000 2.332 430 V HA -0.203 3.906 4.120 -0.018 0.000 0.248 430 V C 2.095 178.414 176.094 0.375 0.000 1.055 430 V CA 1.505 63.991 62.300 0.310 0.000 1.038 430 V CB -0.692 31.323 31.823 0.320 0.000 0.651 430 V HN 0.277 nan 8.190 nan 0.000 0.450 431 F N 1.453 121.560 119.950 0.261 0.000 2.163 431 F HA 0.005 4.521 4.527 -0.018 0.000 0.297 431 F C 2.294 178.234 175.800 0.232 0.000 1.094 431 F CA 0.923 59.044 58.000 0.202 0.000 1.290 431 F CB -0.786 38.292 39.000 0.130 0.000 1.017 431 F HN 0.074 nan 8.300 nan 0.000 0.483 432 A N 0.475 123.383 122.820 0.146 0.000 1.940 432 A HA -0.215 4.094 4.320 -0.018 0.000 0.219 432 A C 2.366 179.950 177.584 0.001 0.000 1.176 432 A CA 1.848 53.880 52.037 -0.010 0.000 0.631 432 A CB -0.717 18.305 19.000 0.037 0.000 0.814 432 A HN 0.424 nan 8.150 nan 0.000 0.446 433 R N -1.991 118.558 120.500 0.082 0.000 2.092 433 R HA -0.070 4.259 4.340 -0.018 0.000 0.231 433 R C 1.959 178.318 176.300 0.097 0.000 1.119 433 R CA 1.496 57.642 56.100 0.076 0.000 0.970 433 R CB -0.465 29.893 30.300 0.097 0.000 0.864 433 R HN 0.628 nan 8.270 nan 0.000 0.440 434 F N 1.254 121.201 119.950 -0.006 0.000 2.102 434 F HA -0.215 4.301 4.527 -0.018 0.000 0.298 434 F C 1.819 177.566 175.800 -0.088 0.000 1.105 434 F CA 1.352 59.347 58.000 -0.009 0.000 1.239 434 F CB -0.080 38.968 39.000 0.080 0.000 0.991 434 F HN -0.124 nan 8.300 nan 0.000 0.474 435 I N 0.234 120.628 120.570 -0.292 0.000 2.226 435 I HA -0.247 3.912 4.170 -0.018 0.000 0.245 435 I C 2.411 178.346 176.117 -0.303 0.000 1.100 435 I CA 1.650 62.690 61.300 -0.435 0.000 1.374 435 I CB -1.892 35.847 38.000 -0.435 0.000 1.057 435 I HN 0.202 nan 8.210 nan 0.000 0.413 436 T N 1.149 115.588 114.554 -0.191 0.000 2.821 436 T HA -0.060 4.279 4.350 -0.018 0.000 0.267 436 T C 2.024 176.646 174.700 -0.130 0.000 1.046 436 T CA 1.375 63.397 62.100 -0.129 0.000 1.139 436 T CB -0.147 68.676 68.868 -0.075 0.000 0.871 436 T HN 0.437 nan 8.240 nan 0.000 0.454 437 A N 1.510 124.247 122.820 -0.138 0.000 1.908 437 A HA -0.166 4.144 4.320 -0.018 0.000 0.218 437 A C 2.361 179.830 177.584 -0.193 0.000 1.181 437 A CA 1.287 53.246 52.037 -0.129 0.000 0.627 437 A CB -0.468 18.487 19.000 -0.075 0.000 0.818 437 A HN 0.363 nan 8.150 nan 0.000 0.445 438 Q N -0.035 119.563 119.800 -0.337 0.000 2.020 438 Q HA -0.101 4.229 4.340 -0.018 0.000 0.202 438 Q C 2.240 178.127 176.000 -0.188 0.000 0.982 438 Q CA 1.383 56.993 55.803 -0.320 0.000 0.838 438 Q CB -0.790 27.652 28.738 -0.493 0.000 0.899 438 Q HN 0.706 nan 8.270 nan 0.000 0.423 439 L N 0.951 122.070 121.223 -0.173 0.000 2.043 439 L HA -0.251 4.078 4.340 -0.018 0.000 0.212 439 L C 2.723 179.543 176.870 -0.083 0.000 1.075 439 L CA 1.696 56.468 54.840 -0.112 0.000 0.752 439 L CB -0.691 41.309 42.059 -0.100 0.000 0.891 439 L HN 0.273 nan 8.230 nan 0.000 0.432 440 S N -0.143 115.507 115.700 -0.083 0.000 2.371 440 S HA -0.234 4.225 4.470 -0.018 0.000 0.224 440 S C 2.114 176.686 174.600 -0.046 0.000 1.029 440 S CA 1.387 59.554 58.200 -0.055 0.000 0.978 440 S CB -0.173 62.997 63.200 -0.049 0.000 0.833 440 S HN 0.379 nan 8.310 nan 0.000 0.466 441 K N 0.174 120.540 120.400 -0.057 0.000 2.097 441 K HA -0.043 4.266 4.320 -0.018 0.000 0.206 441 K C 2.230 178.810 176.600 -0.035 0.000 1.049 441 K CA 1.563 57.826 56.287 -0.041 0.000 0.933 441 K CB -0.254 32.218 32.500 -0.046 0.000 0.717 441 K HN 0.468 nan 8.250 nan 0.000 0.442 442 M N 0.247 119.819 119.600 -0.047 0.000 2.254 442 M HA -0.097 4.372 4.480 -0.018 0.000 0.265 442 M C 1.788 178.071 176.300 -0.028 0.000 1.066 442 M CA 1.424 56.702 55.300 -0.037 0.000 1.123 442 M CB -0.012 32.561 32.600 -0.046 0.000 1.388 442 M HN 0.183 nan 8.290 nan 0.000 0.425 443 E N 0.335 120.517 120.200 -0.030 0.000 2.150 443 E HA -0.188 4.151 4.350 -0.018 0.000 0.193 443 E C 1.974 178.568 176.600 -0.011 0.000 0.985 443 E CA 0.971 57.359 56.400 -0.021 0.000 0.814 443 E CB 0.082 29.768 29.700 -0.023 0.000 0.752 443 E HN 0.336 nan 8.360 nan 0.000 0.466 444 K N 0.564 120.957 120.400 -0.012 0.000 2.025 444 K HA -0.094 4.215 4.320 -0.018 0.000 0.207 444 K C 2.137 178.736 176.600 -0.001 0.000 1.049 444 K CA 1.078 57.362 56.287 -0.004 0.000 0.933 444 K CB -0.102 32.395 32.500 -0.005 0.000 0.714 444 K HN 0.073 nan 8.250 nan 0.000 0.438 445 A N 1.463 124.280 122.820 -0.004 0.000 1.940 445 A HA -0.185 4.124 4.320 -0.018 0.000 0.219 445 A C 2.072 179.651 177.584 -0.009 0.000 1.176 445 A CA 1.584 53.619 52.037 -0.004 0.000 0.631 445 A CB -0.649 18.348 19.000 -0.004 0.000 0.814 445 A HN 0.427 nan 8.150 nan 0.000 0.446 446 L N -0.257 120.959 121.223 -0.011 0.000 2.056 446 L HA -0.091 4.238 4.340 -0.018 0.000 0.207 446 L C 2.298 179.170 176.870 0.003 0.000 1.078 446 L CA 2.579 57.412 54.840 -0.012 0.000 0.749 446 L CB -0.438 41.613 42.059 -0.013 0.000 0.901 446 L HN 0.429 nan 8.230 nan 0.000 0.433 447 K N -1.355 119.054 120.400 0.014 0.000 2.097 447 K HA -0.158 4.151 4.320 -0.018 0.000 0.206 447 K C 1.848 178.474 176.600 0.043 0.000 1.049 447 K CA 1.788 58.095 56.287 0.034 0.000 0.933 447 K CB -0.141 32.377 32.500 0.029 0.000 0.717 447 K HN 0.407 nan 8.250 nan 0.000 0.442 448 T N 0.400 114.970 114.554 0.027 0.000 2.708 448 T HA -0.117 4.222 4.350 -0.018 0.000 0.266 448 T C 1.753 176.471 174.700 0.029 0.000 1.037 448 T CA 1.991 64.110 62.100 0.032 0.000 1.146 448 T CB -0.389 68.492 68.868 0.021 0.000 0.865 448 T HN 0.364 nan 8.240 nan 0.000 0.435 449 T N 2.016 116.567 114.554 -0.006 0.000 2.737 449 T HA -0.067 4.273 4.350 -0.018 0.000 0.265 449 T C 1.955 176.631 174.700 -0.041 0.000 1.038 449 T CA 1.094 63.163 62.100 -0.053 0.000 1.144 449 T CB -0.257 68.555 68.868 -0.093 0.000 0.866 449 T HN 0.503 nan 8.240 nan 0.000 0.434 450 E N 0.956 121.150 120.200 -0.009 0.000 2.077 450 E HA -0.085 4.254 4.350 -0.018 0.000 0.193 450 E C 2.627 179.297 176.600 0.117 0.000 0.989 450 E CA 1.147 57.552 56.400 0.008 0.000 0.800 450 E CB -0.117 29.621 29.700 0.063 0.000 0.746 450 E HN 0.335 nan 8.360 nan 0.000 0.452 451 S N 1.151 116.948 115.700 0.162 0.000 2.348 451 S HA -0.134 4.325 4.470 -0.018 0.000 0.221 451 S C 2.060 176.754 174.600 0.156 0.000 1.033 451 S CA 0.838 59.175 58.200 0.229 0.000 1.010 451 S CB -0.254 63.058 63.200 0.187 0.000 0.891 451 S HN 0.189 nan 8.310 nan 0.000 0.442 452 L N 1.054 122.340 121.223 0.105 0.000 2.079 452 L HA -0.142 4.187 4.340 -0.018 0.000 0.210 452 L C 2.742 179.648 176.870 0.060 0.000 1.081 452 L CA 1.305 56.207 54.840 0.104 0.000 0.752 452 L CB -0.394 41.749 42.059 0.140 0.000 0.896 452 L HN 0.295 nan 8.230 nan 0.000 0.433 453 R N -0.048 120.438 120.500 -0.024 0.000 2.073 453 R HA -0.188 4.141 4.340 -0.018 0.000 0.234 453 R C 2.358 178.590 176.300 -0.112 0.000 1.134 453 R CA 1.605 57.652 56.100 -0.089 0.000 0.952 453 R CB -0.413 29.759 30.300 -0.213 0.000 0.850 453 R HN 0.132 nan 8.270 nan 0.000 0.433 454 F N 0.842 120.685 119.950 -0.179 0.000 2.091 454 F HA -0.254 4.262 4.527 -0.018 0.000 0.299 454 F C 2.669 178.210 175.800 -0.431 0.000 1.103 454 F CA 1.525 59.291 58.000 -0.389 0.000 1.228 454 F CB -0.434 38.060 39.000 -0.843 0.000 0.984 454 F HN 0.241 nan 8.300 nan 0.000 0.477 455 A N 0.076 122.747 122.820 -0.249 0.000 1.902 455 A HA -0.140 4.169 4.320 -0.018 0.000 0.217 455 A C 2.144 179.827 177.584 0.165 0.000 1.181 455 A CA 1.420 53.496 52.037 0.065 0.000 0.623 455 A CB -1.106 18.039 19.000 0.242 0.000 0.818 455 A HN 0.393 nan 8.150 nan 0.000 0.443 456 L N -0.848 120.483 121.223 0.181 0.000 2.131 456 L HA -0.252 4.078 4.340 -0.018 0.000 0.210 456 L C 2.845 179.961 176.870 0.409 0.000 1.092 456 L CA 1.486 56.513 54.840 0.311 0.000 0.759 456 L CB -0.439 41.861 42.059 0.401 0.000 0.903 456 L HN 0.486 nan 8.230 nan 0.000 0.435 457 Q N -0.593 119.386 119.800 0.298 0.000 2.083 457 Q HA -0.117 4.212 4.340 -0.018 0.000 0.198 457 Q C 2.360 178.375 176.000 0.026 0.000 0.969 457 Q CA 1.273 57.265 55.803 0.315 0.000 0.838 457 Q CB -0.369 28.516 28.738 0.245 0.000 0.900 457 Q HN 0.595 nan 8.270 nan 0.000 0.436 458 G N 0.516 109.206 108.800 -0.183 0.000 2.440 458 G HA2 -0.296 3.654 3.960 -0.018 0.000 0.218 458 G HA3 -0.296 3.654 3.960 -0.018 0.000 0.218 458 G C 1.190 176.077 174.900 -0.022 0.000 1.154 458 G CA 0.672 45.532 45.100 -0.400 0.000 0.767 458 G HN 0.385 nan 8.290 nan 0.000 0.552 459 F N 0.262 120.169 119.950 -0.072 0.000 2.098 459 F HA 0.119 4.635 4.527 -0.018 0.000 0.294 459 F C 2.306 177.990 175.800 -0.193 0.000 1.107 459 F CA 1.156 59.090 58.000 -0.110 0.000 1.234 459 F CB -0.033 38.803 39.000 -0.274 0.000 1.002 459 F HN 0.113 nan 8.300 nan 0.000 0.472 460 F N 0.452 120.218 119.950 -0.305 0.000 2.451 460 F HA -0.032 4.484 4.527 -0.018 0.000 0.299 460 F C 2.344 177.641 175.800 -0.839 0.000 1.101 460 F CA 0.625 58.210 58.000 -0.690 0.000 1.436 460 F CB -0.551 38.072 39.000 -0.627 0.000 1.074 460 F HN 0.090 nan 8.300 nan 0.000 0.553 461 A N -1.549 121.030 122.820 -0.401 0.000 2.218 461 A HA -0.085 4.224 4.320 -0.018 0.000 0.209 461 A C 0.764 178.307 177.584 -0.068 0.000 1.168 461 A CA -0.069 51.840 52.037 -0.214 0.000 0.804 461 A CB -1.147 17.837 19.000 -0.028 0.000 0.834 461 A HN 0.458 nan 8.150 nan 0.000 0.482 462 H N 0.474 119.427 119.070 -0.195 0.000 3.513 462 H HA 0.157 4.703 4.556 -0.018 0.000 0.253 462 H C 1.587 176.841 175.328 -0.123 0.000 1.514 462 H CA -0.313 55.663 56.048 -0.119 0.000 1.565 462 H CB -0.054 29.653 29.762 -0.091 0.000 1.776 462 H HN 0.431 nan 8.280 nan 0.000 0.562 463 R N 1.490 122.058 120.500 0.114 0.000 2.103 463 R HA -0.199 4.130 4.340 -0.018 0.000 0.242 463 R C 2.504 178.801 176.300 -0.005 0.000 1.142 463 R CA 1.697 57.818 56.100 0.034 0.000 0.960 463 R CB -0.180 30.149 30.300 0.049 0.000 0.858 463 R HN 0.505 nan 8.270 nan 0.000 0.439 464 S N -0.054 115.667 115.700 0.036 0.000 2.370 464 S HA -0.140 4.319 4.470 -0.018 0.000 0.226 464 S C 1.792 176.260 174.600 -0.219 0.000 1.033 464 S CA 1.157 59.320 58.200 -0.060 0.000 1.011 464 S CB -0.123 63.089 63.200 0.020 0.000 0.852 464 S HN 0.250 nan 8.310 nan 0.000 0.457 465 L N 1.369 122.321 121.223 -0.452 0.000 2.131 465 L HA 0.169 4.499 4.340 -0.018 0.000 0.206 465 L C 2.714 179.432 176.870 -0.254 0.000 1.087 465 L CA 1.460 56.041 54.840 -0.431 0.000 0.767 465 L CB -0.986 40.689 42.059 -0.641 0.000 0.917 465 L HN 0.298 nan 8.230 nan 0.000 0.441 466 Q N -0.829 118.855 119.800 -0.193 0.000 2.172 466 Q HA -0.073 4.257 4.340 -0.018 0.000 0.200 466 Q C 2.388 178.423 176.000 0.059 0.000 0.964 466 Q CA 0.769 56.548 55.803 -0.040 0.000 0.855 466 Q CB -0.306 28.434 28.738 0.003 0.000 0.918 466 Q HN 0.431 nan 8.270 nan 0.000 0.444 467 L N 0.925 122.161 121.223 0.021 0.000 2.021 467 L HA -0.282 4.047 4.340 -0.018 0.000 0.215 467 L C 2.133 179.027 176.870 0.041 0.000 1.074 467 L CA 1.678 56.553 54.840 0.059 0.000 0.760 467 L CB -0.230 41.833 42.059 0.007 0.000 0.889 467 L HN 0.335 nan 8.230 nan 0.000 0.433 468 E N -1.084 119.088 120.200 -0.047 0.000 2.110 468 E HA -0.198 4.141 4.350 -0.018 0.000 0.193 468 E C 2.123 178.688 176.600 -0.058 0.000 0.988 468 E CA 1.329 57.679 56.400 -0.083 0.000 0.804 468 E CB -0.052 29.552 29.700 -0.161 0.000 0.745 468 E HN 0.351 nan 8.360 nan 0.000 0.458 469 V N 0.922 120.791 119.914 -0.076 0.000 2.261 469 V HA -0.237 3.872 4.120 -0.018 0.000 0.246 469 V C 2.019 178.086 176.094 -0.044 0.000 1.047 469 V CA 1.647 63.856 62.300 -0.151 0.000 1.015 469 V CB -0.504 31.110 31.823 -0.348 0.000 0.642 469 V HN 0.204 nan 8.190 nan 0.000 0.446 470 F N 1.462 121.365 119.950 -0.078 0.000 2.171 470 F HA -0.147 4.369 4.527 -0.019 0.000 0.300 470 F C 2.070 177.860 175.800 -0.018 0.000 1.090 470 F CA 1.780 59.776 58.000 -0.007 0.000 1.293 470 F CB -0.423 38.637 39.000 0.100 0.000 1.013 470 F HN 0.228 nan 8.300 nan 0.000 0.486 471 D N -0.515 119.855 120.400 -0.050 0.000 2.117 471 D HA -0.208 4.421 4.640 -0.018 0.000 0.198 471 D C 2.088 178.292 176.300 -0.160 0.000 0.982 471 D CA 1.243 55.169 54.000 -0.125 0.000 0.828 471 D CB -0.795 39.976 40.800 -0.048 0.000 0.967 471 D HN 0.315 nan 8.370 nan 0.000 0.464 472 F N 1.303 121.125 119.950 -0.213 0.000 2.091 472 F HA -0.217 4.299 4.527 -0.018 0.000 0.299 472 F C 2.038 177.704 175.800 -0.224 0.000 1.103 472 F CA 1.348 59.226 58.000 -0.204 0.000 1.228 472 F CB -0.301 38.566 39.000 -0.220 0.000 0.984 472 F HN -0.091 nan 8.300 nan 0.000 0.477 473 I N -0.840 119.520 120.570 -0.349 0.000 2.286 473 I HA -0.364 3.796 4.170 -0.018 0.000 0.248 473 I C 2.491 178.273 176.117 -0.559 0.000 1.115 473 I CA 1.143 62.132 61.300 -0.519 0.000 1.392 473 I CB -0.613 37.053 38.000 -0.557 0.000 1.065 473 I HN 0.311 nan 8.210 nan 0.000 0.418 474 C N 0.509 119.472 119.300 -0.562 0.000 2.453 474 C HA -0.071 4.379 4.460 -0.018 0.000 0.277 474 C C 3.004 177.942 174.990 -0.088 0.000 1.262 474 C CA 0.982 59.821 59.018 -0.299 0.000 1.718 474 C CB -1.695 25.890 27.740 -0.259 0.000 2.031 474 C HN 0.654 nan 8.230 nan 0.000 0.480 475 G N 0.632 109.366 108.800 -0.110 0.000 2.476 475 G HA2 -0.168 3.781 3.960 -0.018 0.000 0.218 475 G HA3 -0.168 3.781 3.960 -0.018 0.000 0.218 475 G C 1.877 176.778 174.900 0.001 0.000 1.164 475 G CA 1.237 46.365 45.100 0.046 0.000 0.768 475 G HN 0.636 nan 8.290 nan 0.000 0.560 476 A N 0.508 123.154 122.820 -0.291 0.000 1.978 476 A HA 0.022 4.331 4.320 -0.018 0.000 0.220 476 A C 2.696 180.302 177.584 0.037 0.000 1.170 476 A CA 2.262 54.238 52.037 -0.102 0.000 0.636 476 A CB -0.458 18.269 19.000 -0.454 0.000 0.810 476 A HN 0.338 nan 8.150 nan 0.000 0.448 477 S N -0.569 115.096 115.700 -0.057 0.000 2.368 477 S HA -0.112 4.347 4.470 -0.018 0.000 0.224 477 S C 2.037 176.683 174.600 0.077 0.000 1.029 477 S CA 1.677 59.847 58.200 -0.051 0.000 0.988 477 S CB -0.520 62.779 63.200 0.165 0.000 0.838 477 S HN 0.684 nan 8.310 nan 0.000 0.462 478 T N 2.029 116.645 114.554 0.104 0.000 2.746 478 T HA -0.069 4.270 4.350 -0.018 0.000 0.267 478 T C 1.451 176.218 174.700 0.112 0.000 1.039 478 T CA 1.286 63.428 62.100 0.070 0.000 1.142 478 T CB -0.459 68.202 68.868 -0.344 0.000 0.866 478 T HN 0.440 nan 8.240 nan 0.000 0.444 479 F N 1.772 121.729 119.950 0.012 0.000 2.126 479 F HA -0.043 4.474 4.527 -0.017 0.000 0.299 479 F C 1.845 177.719 175.800 0.123 0.000 1.096 479 F CA 1.179 59.203 58.000 0.040 0.000 1.255 479 F CB -0.504 38.457 39.000 -0.065 0.000 0.997 479 F HN 0.056 nan 8.300 nan 0.000 0.479 480 L N -0.132 121.130 121.223 0.066 0.000 2.141 480 L HA -0.185 4.144 4.340 -0.018 0.000 0.209 480 L C 2.424 179.258 176.870 -0.061 0.000 1.094 480 L CA 0.992 55.858 54.840 0.043 0.000 0.763 480 L CB -0.595 41.590 42.059 0.209 0.000 0.908 480 L HN 0.208 nan 8.230 nan 0.000 0.437 481 I N -0.514 120.015 120.570 -0.068 0.000 2.315 481 I HA -0.281 3.878 4.170 -0.018 0.000 0.248 481 I C 2.842 178.783 176.117 -0.293 0.000 1.117 481 I CA 1.080 62.192 61.300 -0.313 0.000 1.404 481 I CB -0.304 37.259 38.000 -0.728 0.000 1.071 481 I HN 0.234 nan 8.210 nan 0.000 0.419 482 R N 0.922 121.354 120.500 -0.113 0.000 2.081 482 R HA -0.144 4.185 4.340 -0.018 0.000 0.235 482 R C 2.268 178.553 176.300 -0.025 0.000 1.131 482 R CA 1.528 57.622 56.100 -0.009 0.000 0.960 482 R CB -0.185 30.157 30.300 0.069 0.000 0.856 482 R HN 0.162 nan 8.270 nan 0.000 0.436 483 V N 0.468 120.270 119.914 -0.185 0.000 2.469 483 V HA -0.212 3.897 4.120 -0.018 0.000 0.251 483 V C 2.287 178.347 176.094 -0.057 0.000 1.064 483 V CA 1.499 63.767 62.300 -0.054 0.000 1.066 483 V CB -0.135 31.576 31.823 -0.185 0.000 0.667 483 V HN 0.209 nan 8.190 nan 0.000 0.461 484 V N -0.768 118.979 119.914 -0.278 0.000 2.407 484 V HA -0.056 4.053 4.120 -0.018 0.000 0.245 484 V C 1.124 176.995 176.094 -0.371 0.000 1.041 484 V CA 0.854 62.908 62.300 -0.410 0.000 1.040 484 V CB -0.436 31.011 31.823 -0.627 0.000 0.671 484 V HN 0.567 nan 8.190 nan 0.000 0.455 485 D N 0.851 121.039 120.400 -0.354 0.000 2.662 485 D HA -0.052 4.577 4.640 -0.018 0.000 0.237 485 D C -1.535 174.426 176.300 -0.566 0.000 1.154 485 D CA -1.146 52.645 54.000 -0.348 0.000 0.861 485 D CB 1.401 42.087 40.800 -0.191 0.000 1.146 485 D HN 0.125 nan 8.370 nan 0.000 0.518 486 P HA -0.162 nan 4.420 nan 0.000 0.216 486 P C 0.906 177.990 177.300 -0.359 0.000 1.150 486 P CA 1.081 63.968 63.100 -0.354 0.000 0.843 486 P CB 0.293 31.886 31.700 -0.178 0.000 0.787 487 E N -2.168 117.890 120.200 -0.236 0.000 2.285 487 E HA -0.109 4.230 4.350 -0.018 0.000 0.194 487 E C 0.221 176.829 176.600 0.013 0.000 0.997 487 E CA 0.497 56.853 56.400 -0.074 0.000 0.845 487 E CB -0.904 28.782 29.700 -0.023 0.000 0.782 487 E HN 0.438 nan 8.360 nan 0.000 0.491 488 H N -0.759 118.325 119.070 0.024 0.000 2.791 488 H HA -0.155 4.391 4.556 -0.017 0.000 0.302 488 H C 0.969 176.344 175.328 0.078 0.000 1.198 488 H CA 0.942 57.013 56.048 0.038 0.000 1.145 488 H CB -1.260 28.523 29.762 0.036 0.000 1.385 488 H HN 0.066 nan 8.280 nan 0.000 0.409 489 E N -0.446 119.847 120.200 0.155 0.000 2.413 489 E HA 0.189 4.529 4.350 -0.018 0.000 0.203 489 E C 0.305 177.038 176.600 0.221 0.000 0.957 489 E CA -0.287 56.215 56.400 0.169 0.000 0.950 489 E CB 0.373 30.141 29.700 0.113 0.000 0.957 489 E HN 0.375 nan 8.360 nan 0.000 0.497 490 F N 2.211 122.183 119.950 0.036 0.000 2.602 490 F HA 0.077 4.595 4.527 -0.016 0.000 0.367 490 F C -1.572 174.211 175.800 -0.027 0.000 1.126 490 F CA -1.356 56.631 58.000 -0.022 0.000 1.321 490 F CB 0.949 39.896 39.000 -0.087 0.000 1.094 490 F HN 0.003 nan 8.300 nan 0.000 0.594 491 P HA 0.012 nan 4.420 nan 0.000 0.261 491 P C 0.876 177.634 177.300 -0.903 0.000 1.352 491 P CA 0.663 62.787 63.100 -1.626 0.000 0.891 491 P CB -0.216 30.665 31.700 -1.366 0.000 1.383 492 F N 0.779 120.534 119.950 -0.324 0.000 2.367 492 F HA 0.129 4.645 4.527 -0.018 0.000 0.298 492 F C 1.332 177.059 175.800 -0.122 0.000 1.094 492 F CA 1.072 58.976 58.000 -0.159 0.000 1.409 492 F CB 0.014 38.972 39.000 -0.069 0.000 1.064 492 F HN -0.200 nan 8.300 nan 0.000 0.528 493 K N -0.066 120.359 120.400 0.041 0.000 2.371 493 K HA 0.273 4.582 4.320 -0.018 0.000 0.251 493 K C -0.591 176.042 176.600 0.054 0.000 0.934 493 K CA -1.109 55.197 56.287 0.033 0.000 0.798 493 K CB 1.864 34.402 32.500 0.064 0.000 1.204 493 K HN -0.288 nan 8.250 nan 0.000 0.427 494 Q N 2.172 122.006 119.800 0.057 0.000 2.369 494 Q HA 0.038 4.367 4.340 -0.018 0.000 0.295 494 Q C -0.736 175.364 176.000 0.167 0.000 1.075 494 Q CA 0.620 56.513 55.803 0.149 0.000 0.941 494 Q CB 0.417 29.194 28.738 0.064 0.000 1.260 494 Q HN 0.606 nan 8.270 nan 0.000 0.417 495 I N 3.341 124.020 120.570 0.183 0.000 2.428 495 I HA 0.254 4.413 4.170 -0.018 0.000 0.296 495 I C -0.574 175.502 176.117 -0.068 0.000 0.985 495 I CA -0.786 60.511 61.300 -0.005 0.000 1.260 495 I CB 0.655 38.539 38.000 -0.194 0.000 1.389 495 I HN 0.476 nan 8.210 nan 0.000 0.484 496 K N 8.635 128.980 120.400 -0.092 0.000 2.211 496 K HA 0.490 4.799 4.320 -0.018 0.000 0.275 496 K C -1.065 175.451 176.600 -0.142 0.000 1.024 496 K CA -0.394 55.830 56.287 -0.104 0.000 0.887 496 K CB 1.408 33.853 32.500 -0.091 0.000 1.084 496 K HN 0.571 nan 8.250 nan 0.000 0.463 497 L N 3.974 125.104 121.223 -0.155 0.000 2.342 497 L HA 0.514 4.843 4.340 -0.018 0.000 0.271 497 L C -1.869 174.883 176.870 -0.196 0.000 1.008 497 L CA -2.069 52.662 54.840 -0.182 0.000 0.818 497 L CB 1.747 43.689 42.059 -0.195 0.000 1.296 497 L HN 0.470 nan 8.230 nan 0.000 0.427 498 P HA 0.304 nan 4.420 nan 0.000 0.278 498 P C 0.424 177.630 177.300 -0.157 0.000 1.266 498 P CA -0.651 62.334 63.100 -0.192 0.000 0.807 498 P CB 1.579 33.156 31.700 -0.206 0.000 1.094 499 L N -0.236 120.898 121.223 -0.149 0.000 2.131 499 L HA 0.102 4.431 4.340 -0.018 0.000 0.206 499 L C 1.361 178.174 176.870 -0.096 0.000 1.087 499 L CA 0.908 55.669 54.840 -0.132 0.000 0.767 499 L CB -0.417 41.553 42.059 -0.148 0.000 0.917 499 L HN 0.403 nan 8.230 nan 0.000 0.441 500 I N -3.729 116.791 120.570 -0.083 0.000 2.740 500 I HA 0.503 4.662 4.170 -0.018 0.000 0.303 500 I C -2.551 173.531 176.117 -0.058 0.000 1.044 500 I CA -2.619 58.648 61.300 -0.055 0.000 1.064 500 I CB 1.565 39.542 38.000 -0.038 0.000 1.249 500 I HN -0.275 nan 8.210 nan 0.000 0.433 501 P HA 0.038 nan 4.420 nan 0.000 0.266 501 P C -0.934 176.341 177.300 -0.042 0.000 1.195 501 P CA 0.127 63.193 63.100 -0.058 0.000 0.768 501 P CB 0.358 32.034 31.700 -0.040 0.000 0.838 502 D N 2.481 122.840 120.400 -0.069 0.000 2.458 502 D HA 0.011 4.640 4.640 -0.018 0.000 0.243 502 D C 0.565 176.875 176.300 0.016 0.000 1.146 502 D CA 0.531 54.519 54.000 -0.020 0.000 0.877 502 D CB 0.424 41.197 40.800 -0.045 0.000 1.176 502 D HN 0.248 nan 8.370 nan 0.000 0.461 503 Q N 2.128 121.951 119.800 0.039 0.000 2.296 503 Q HA 0.344 4.673 4.340 -0.018 0.000 0.257 503 Q C 0.480 176.496 176.000 0.026 0.000 0.942 503 Q CA -0.389 55.406 55.803 -0.013 0.000 0.939 503 Q CB 1.603 30.299 28.738 -0.070 0.000 1.198 503 Q HN 0.409 nan 8.270 nan 0.000 0.429 510 D N 2.694 123.106 120.400 0.019 0.000 2.739 510 D HA -0.176 4.453 4.640 -0.018 0.000 0.240 510 D C 1.100 177.432 176.300 0.053 0.000 1.114 510 D CA 1.562 55.582 54.000 0.032 0.000 0.695 510 D CB -0.514 40.302 40.800 0.028 0.000 1.078 510 D HN 1.043 nan 8.370 nan 0.000 0.434 511 N N -1.244 117.495 118.700 0.064 0.000 2.398 511 N HA 0.162 4.891 4.740 -0.018 0.000 0.188 511 N C 1.827 177.438 175.510 0.168 0.000 1.122 511 N CA 0.260 53.382 53.050 0.121 0.000 0.866 511 N CB 0.250 38.788 38.487 0.085 0.000 0.970 511 N HN 0.216 nan 8.380 nan 0.000 0.462 512 A N 2.036 124.920 122.820 0.107 0.000 1.927 512 A HA -0.277 4.032 4.320 -0.018 0.000 0.220 512 A C 1.819 179.458 177.584 0.092 0.000 1.185 512 A CA 2.032 54.122 52.037 0.087 0.000 0.639 512 A CB -0.553 18.479 19.000 0.054 0.000 0.820 512 A HN 0.285 nan 8.150 nan 0.000 0.451 513 D N -1.392 119.070 120.400 0.102 0.000 2.092 513 D HA -0.138 4.491 4.640 -0.018 0.000 0.193 513 D C 1.644 178.022 176.300 0.130 0.000 0.994 513 D CA 1.425 55.483 54.000 0.096 0.000 0.828 513 D CB -0.527 40.330 40.800 0.095 0.000 0.963 513 D HN 0.469 nan 8.370 nan 0.000 0.450 514 F N 1.257 121.243 119.950 0.061 0.000 2.065 514 F HA -0.203 4.341 4.527 0.028 0.000 0.298 514 F C 2.191 178.072 175.800 0.134 0.000 1.112 514 F CA 1.394 59.458 58.000 0.107 0.000 1.212 514 F CB -0.349 38.688 39.000 0.063 0.000 0.975 514 F HN -0.085 nan 8.300 nan 0.000 0.476 515 L N -0.120 121.216 121.223 0.188 0.000 2.046 515 L HA -0.207 4.122 4.340 -0.018 0.000 0.208 515 L C 2.687 179.532 176.870 -0.041 0.000 1.077 515 L CA 1.672 56.553 54.840 0.068 0.000 0.747 515 L CB -0.723 41.413 42.059 0.127 0.000 0.896 515 L HN 0.115 nan 8.230 nan 0.000 0.432 516 R N 0.304 120.786 120.500 -0.030 0.000 2.096 516 R HA -0.177 4.152 4.340 -0.018 0.000 0.235 516 R C 2.306 178.525 176.300 -0.135 0.000 1.127 516 R CA 1.443 57.497 56.100 -0.076 0.000 0.968 516 R CB -0.215 30.056 30.300 -0.047 0.000 0.861 516 R HN 0.349 nan 8.270 nan 0.000 0.440 517 A N -0.340 122.390 122.820 -0.151 0.000 1.930 517 A HA -0.133 4.176 4.320 -0.018 0.000 0.217 517 A C 1.149 178.482 177.584 -0.418 0.000 1.175 517 A CA 1.428 53.315 52.037 -0.251 0.000 0.627 517 A CB -0.402 18.452 19.000 -0.242 0.000 0.815 517 A HN 0.506 nan 8.150 nan 0.000 0.443 518 H N -0.703 118.141 119.070 -0.376 0.000 2.517 518 H HA 0.567 5.115 4.556 -0.012 0.000 0.282 518 H C 0.813 176.005 175.328 -0.226 0.000 1.023 518 H CA 0.008 55.859 56.048 -0.329 0.000 1.169 518 H CB -0.036 29.441 29.762 -0.474 0.000 1.454 518 H HN 0.511 nan 8.280 nan 0.000 0.556 519 A N 2.125 124.864 122.820 -0.136 0.000 2.445 519 A HA 0.278 4.587 4.320 -0.018 0.000 0.242 519 A C -2.015 175.479 177.584 -0.151 0.000 1.075 519 A CA -1.099 50.859 52.037 -0.131 0.000 0.777 519 A CB 0.085 18.994 19.000 -0.153 0.000 1.013 519 A HN 0.107 nan 8.150 nan 0.000 0.493 520 P HA 0.415 nan 4.420 nan 0.000 0.277 520 P C -0.902 176.324 177.300 -0.123 0.000 1.240 520 P CA -0.304 62.728 63.100 -0.113 0.000 0.798 520 P CB 1.071 32.694 31.700 -0.128 0.000 0.979 521 V N 4.512 124.379 119.914 -0.079 0.000 2.459 521 V HA 0.282 4.391 4.120 -0.018 0.000 0.295 521 V C -1.108 175.041 176.094 0.092 0.000 1.029 521 V CA -1.086 61.176 62.300 -0.064 0.000 0.874 521 V CB 1.539 33.355 31.823 -0.013 0.000 0.985 521 V HN 0.606 nan 8.190 nan 0.000 0.438 522 P HA 0.041 nan 4.420 nan 0.000 0.245 522 P C 1.570 178.848 177.300 -0.037 0.000 1.203 522 P CA 0.085 63.268 63.100 0.138 0.000 0.792 522 P CB 0.225 32.183 31.700 0.429 0.000 0.997 523 F N 3.838 123.569 119.950 -0.364 0.000 2.079 523 F HA -0.347 4.169 4.527 -0.020 0.000 0.296 523 F C 1.993 177.562 175.800 -0.386 0.000 1.084 523 F CA 2.799 60.443 58.000 -0.594 0.000 1.236 523 F CB -0.285 38.458 39.000 -0.428 0.000 0.984 523 F HN -0.074 nan 8.300 nan 0.000 0.488 524 K N -1.327 118.871 120.400 -0.338 0.000 2.360 524 K HA -0.216 4.093 4.320 -0.018 0.000 0.201 524 K C 1.147 177.388 176.600 -0.599 0.000 1.046 524 K CA 1.980 57.967 56.287 -0.500 0.000 0.940 524 K CB -0.861 31.282 32.500 -0.596 0.000 0.748 524 K HN 0.402 nan 8.250 nan 0.000 0.465 525 Y N -0.552 119.593 120.300 -0.259 0.000 2.478 525 Y HA 0.199 4.740 4.550 -0.016 0.000 0.261 525 Y C 0.153 175.893 175.900 -0.267 0.000 1.127 525 Y CA -1.179 56.768 58.100 -0.254 0.000 1.288 525 Y CB -0.260 38.043 38.460 -0.262 0.000 1.084 525 Y HN -0.123 nan 8.280 nan 0.000 0.530 526 Y N 2.106 122.141 120.300 -0.443 0.000 2.578 526 Y HA 0.111 4.651 4.550 -0.017 0.000 0.339 526 Y C -1.877 173.598 175.900 -0.708 0.000 1.231 526 Y CA -3.350 54.326 58.100 -0.706 0.000 1.461 526 Y CB -0.390 37.760 38.460 -0.516 0.000 1.323 526 Y HN -0.048 nan 8.280 nan 0.000 0.590 527 P HA 0.061 nan 4.420 nan 0.000 0.272 527 P C 0.372 177.339 177.300 -0.553 0.000 1.223 527 P CA -0.007 62.670 63.100 -0.705 0.000 0.784 527 P CB 0.645 31.630 31.700 -1.192 0.000 0.923 528 E N 1.173 121.169 120.200 -0.341 0.000 2.160 528 E HA -0.190 4.149 4.350 -0.018 0.000 0.195 528 E C 1.550 178.020 176.600 -0.217 0.000 0.991 528 E CA 1.088 57.360 56.400 -0.213 0.000 0.810 528 E CB -0.503 29.136 29.700 -0.102 0.000 0.742 528 E HN 0.609 nan 8.360 nan 0.000 0.466 529 F N 0.098 119.899 119.950 -0.247 0.000 2.250 529 F HA -0.174 4.343 4.527 -0.017 0.000 0.301 529 F C 2.183 177.868 175.800 -0.191 0.000 1.077 529 F CA 0.753 58.491 58.000 -0.437 0.000 1.348 529 F CB -0.833 37.752 39.000 -0.691 0.000 1.040 529 F HN -0.093 nan 8.300 nan 0.000 0.509 530 V N -1.033 118.765 119.914 -0.193 0.000 2.913 530 V HA -0.114 3.995 4.120 -0.018 0.000 0.260 530 V C 1.715 177.869 176.094 0.100 0.000 1.098 530 V CA 1.673 64.000 62.300 0.045 0.000 1.121 530 V CB -0.639 31.240 31.823 0.094 0.000 0.714 530 V HN 0.341 nan 8.190 nan 0.000 0.487 531 V N -0.020 119.948 119.914 0.090 0.000 2.922 531 V HA 0.042 4.151 4.120 -0.018 0.000 0.242 531 V C 2.505 178.717 176.094 0.196 0.000 1.094 531 V CA 1.410 63.833 62.300 0.205 0.000 1.106 531 V CB 0.295 32.285 31.823 0.278 0.000 0.799 531 V HN 0.622 nan 8.190 nan 0.000 0.474 532 E N 0.848 121.109 120.200 0.102 0.000 2.106 532 E HA -0.130 4.209 4.350 -0.018 0.000 0.192 532 E C 2.184 178.894 176.600 0.184 0.000 0.984 532 E CA 1.301 57.767 56.400 0.110 0.000 0.806 532 E CB -0.282 29.429 29.700 0.019 0.000 0.750 532 E HN 0.538 nan 8.360 nan 0.000 0.458 533 G N 1.495 110.394 108.800 0.165 0.000 2.480 533 G HA2 -0.219 3.730 3.960 -0.018 0.000 0.216 533 G HA3 -0.219 3.730 3.960 -0.018 0.000 0.216 533 G C -0.776 174.275 174.900 0.253 0.000 1.200 533 G CA 0.922 46.172 45.100 0.251 0.000 0.782 533 G HN 0.335 nan 8.290 nan 0.000 0.554 534 P HA -0.040 nan 4.420 nan 0.000 0.216 534 P C 2.116 179.595 177.300 0.299 0.000 1.150 534 P CA 0.697 63.897 63.100 0.167 0.000 0.837 534 P CB -0.042 31.692 31.700 0.056 0.000 0.786 535 V N -0.464 119.675 119.914 0.376 0.000 2.488 535 V HA -0.159 3.951 4.120 -0.018 0.000 0.246 535 V C 1.885 178.169 176.094 0.317 0.000 1.046 535 V CA 1.818 64.372 62.300 0.423 0.000 1.053 535 V CB -0.996 31.058 31.823 0.386 0.000 0.679 535 V HN 0.024 nan 8.190 nan 0.000 0.458 536 N N -0.162 118.702 118.700 0.273 0.000 2.043 536 N HA -0.238 4.491 4.740 -0.018 0.000 0.193 536 N C 1.718 177.382 175.510 0.257 0.000 1.037 536 N CA 2.274 55.468 53.050 0.240 0.000 0.851 536 N CB -0.787 37.832 38.487 0.220 0.000 1.027 536 N HN 0.694 nan 8.380 nan 0.000 0.422 537 Y N 1.875 122.286 120.300 0.186 0.000 2.081 537 Y HA -0.238 4.301 4.550 -0.018 0.000 0.280 537 Y C 2.439 178.469 175.900 0.216 0.000 1.163 537 Y CA 1.986 60.201 58.100 0.191 0.000 1.135 537 Y CB -0.442 38.124 38.460 0.177 0.000 0.970 537 Y HN 0.009 nan 8.280 nan 0.000 0.498 538 S N 0.503 116.369 115.700 0.276 0.000 2.368 538 S HA -0.180 4.279 4.470 -0.018 0.000 0.225 538 S C 2.062 176.734 174.600 0.121 0.000 1.030 538 S CA 1.458 59.775 58.200 0.196 0.000 0.999 538 S CB -0.625 62.840 63.200 0.442 0.000 0.844 538 S HN 0.448 nan 8.310 nan 0.000 0.459 539 L N -0.145 121.192 121.223 0.190 0.000 1.989 539 L HA -0.172 4.157 4.340 -0.018 0.000 0.211 539 L C 2.400 179.315 176.870 0.075 0.000 1.071 539 L CA 1.856 56.794 54.840 0.163 0.000 0.749 539 L CB -0.565 41.619 42.059 0.209 0.000 0.890 539 L HN 0.346 nan 8.230 nan 0.000 0.431 540 Y N 0.148 120.413 120.300 -0.058 0.000 2.114 540 Y HA -0.294 4.245 4.550 -0.018 0.000 0.284 540 Y C 2.349 178.146 175.900 -0.172 0.000 1.143 540 Y CA 1.652 59.674 58.100 -0.130 0.000 1.135 540 Y CB -0.185 38.159 38.460 -0.194 0.000 0.980 540 Y HN 0.030 nan 8.280 nan 0.000 0.499 541 I N 0.022 120.400 120.570 -0.320 0.000 2.700 541 I HA -0.235 3.924 4.170 -0.018 0.000 0.261 541 I C 2.251 178.252 176.117 -0.193 0.000 1.219 541 I CA 1.289 62.370 61.300 -0.364 0.000 1.463 541 I CB -0.622 36.989 38.000 -0.648 0.000 1.092 541 I HN 0.178 nan 8.210 nan 0.000 0.452 542 S N 0.363 115.948 115.700 -0.191 0.000 2.442 542 S HA -0.204 4.256 4.470 -0.018 0.000 0.236 542 S C 1.839 176.335 174.600 -0.174 0.000 1.007 542 S CA 1.307 59.428 58.200 -0.133 0.000 0.965 542 S CB -0.324 62.869 63.200 -0.010 0.000 0.773 542 S HN 0.634 nan 8.310 nan 0.000 0.504 543 K N 0.103 120.327 120.400 -0.293 0.000 2.432 543 K HA -0.010 4.299 4.320 -0.018 0.000 0.196 543 K C -0.435 175.871 176.600 -0.490 0.000 1.038 543 K CA 0.506 56.549 56.287 -0.408 0.000 0.986 543 K CB -0.144 32.015 32.500 -0.568 0.000 0.782 543 K HN 0.238 nan 8.250 nan 0.000 0.485 544 Y N 1.866 121.999 120.300 -0.279 0.000 2.313 544 Y HA 0.071 4.611 4.550 -0.018 0.000 0.332 544 Y C 1.469 177.257 175.900 -0.186 0.000 1.071 544 Y CA -0.655 57.322 58.100 -0.205 0.000 1.169 544 Y CB 1.689 40.043 38.460 -0.175 0.000 1.192 544 Y HN 0.062 nan 8.280 nan 0.000 0.487 545 Q N 1.475 121.254 119.800 -0.036 0.000 2.112 545 Q HA -0.186 4.143 4.340 -0.018 0.000 0.206 545 Q C 1.618 177.591 176.000 -0.046 0.000 0.987 545 Q CA 2.428 58.179 55.803 -0.086 0.000 0.858 545 Q CB -0.161 28.543 28.738 -0.055 0.000 0.905 545 Q HN 0.830 nan 8.270 nan 0.000 0.420 546 T N -2.070 112.506 114.554 0.037 0.000 3.272 546 T HA 0.200 4.539 4.350 -0.018 0.000 0.250 546 T C 0.515 175.226 174.700 0.019 0.000 1.082 546 T CA 0.214 62.339 62.100 0.041 0.000 0.968 546 T CB -0.176 68.722 68.868 0.050 0.000 1.015 546 T HN 0.249 nan 8.240 nan 0.000 0.563 547 S N 3.429 119.124 115.700 -0.008 0.000 2.599 547 S HA 0.031 4.490 4.470 -0.018 0.000 0.303 547 S C -0.745 173.812 174.600 -0.073 0.000 1.267 547 S CA -0.851 57.307 58.200 -0.070 0.000 1.055 547 S CB 0.659 63.767 63.200 -0.152 0.000 0.790 547 S HN 0.320 nan 8.310 nan 0.000 0.500 548 P HA 0.019 nan 4.420 nan 0.000 0.237 548 P C 1.160 178.371 177.300 -0.149 0.000 1.178 548 P CA 0.741 63.811 63.100 -0.049 0.000 0.766 548 P CB 0.023 31.753 31.700 0.048 0.000 0.876 549 I N -1.671 118.684 120.570 -0.360 0.000 2.584 549 I HA -0.030 4.130 4.170 -0.018 0.000 0.255 549 I C 1.232 177.209 176.117 -0.234 0.000 1.145 549 I CA 0.017 61.017 61.300 -0.500 0.000 1.462 549 I CB -0.328 37.303 38.000 -0.615 0.000 1.102 549 I HN -0.163 nan 8.210 nan 0.000 0.433 550 F N 4.326 124.003 119.950 -0.456 0.000 2.571 550 F HA 0.057 4.573 4.527 -0.018 0.000 0.384 550 F C 1.513 177.210 175.800 -0.171 0.000 1.058 550 F CA -0.781 56.944 58.000 -0.459 0.000 1.200 550 F CB -0.138 38.602 39.000 -0.435 0.000 1.077 550 F HN 0.216 nan 8.300 nan 0.000 0.558 551 R N 2.810 122.967 120.500 -0.571 0.000 3.641 551 R HA -0.309 4.020 4.340 -0.018 0.000 0.286 551 R C -1.261 174.943 176.300 -0.160 0.000 1.153 551 R CA 0.890 56.726 56.100 -0.440 0.000 0.775 551 R CB -2.712 27.177 30.300 -0.685 0.000 1.215 551 R HN 0.616 nan 8.270 nan 0.000 0.474 552 N N 1.807 120.488 118.700 -0.030 0.000 2.419 552 N HA 0.197 4.926 4.740 -0.018 0.000 0.264 552 N C -1.258 174.308 175.510 0.092 0.000 1.031 552 N CA -2.231 50.857 53.050 0.065 0.000 0.951 552 N CB 1.301 39.903 38.487 0.192 0.000 1.101 552 N HN 0.047 nan 8.380 nan 0.000 0.488 553 P HA -0.049 nan 4.420 nan 0.000 0.228 553 P C 0.369 177.721 177.300 0.087 0.000 1.151 553 P CA 0.900 64.032 63.100 0.054 0.000 0.770 553 P CB 0.408 32.122 31.700 0.023 0.000 0.786 554 R N -0.687 119.879 120.500 0.109 0.000 2.317 554 R HA 0.204 4.533 4.340 -0.018 0.000 0.208 554 R C 2.237 178.645 176.300 0.180 0.000 0.914 554 R CA -0.223 55.946 56.100 0.115 0.000 1.060 554 R CB -0.532 29.802 30.300 0.057 0.000 1.015 554 R HN 0.207 nan 8.270 nan 0.000 0.498 555 L N 0.676 122.060 121.223 0.269 0.000 2.081 555 L HA -0.142 4.187 4.340 -0.018 0.000 0.212 555 L C 1.991 179.058 176.870 0.329 0.000 1.080 555 L CA 1.741 56.828 54.840 0.411 0.000 0.754 555 L CB -0.636 41.665 42.059 0.403 0.000 0.893 555 L HN 0.324 nan 8.230 nan 0.000 0.433 556 G N -1.085 107.851 108.800 0.226 0.000 2.475 556 G HA2 -0.287 3.662 3.960 -0.018 0.000 0.220 556 G HA3 -0.287 3.662 3.960 -0.018 0.000 0.220 556 G C 1.577 176.604 174.900 0.212 0.000 1.125 556 G CA 0.971 46.187 45.100 0.193 0.000 0.755 556 G HN 0.497 nan 8.290 nan 0.000 0.565 557 S N 0.318 116.151 115.700 0.221 0.000 2.356 557 S HA -0.089 4.371 4.470 -0.018 0.000 0.223 557 S C 1.923 176.699 174.600 0.293 0.000 1.032 557 S CA 0.993 59.332 58.200 0.231 0.000 1.005 557 S CB -0.379 62.943 63.200 0.204 0.000 0.867 557 S HN 0.348 nan 8.310 nan 0.000 0.449 558 F N 2.620 122.652 119.950 0.137 0.000 2.134 558 F HA -0.071 4.446 4.527 -0.017 0.000 0.299 558 F C 2.198 178.156 175.800 0.264 0.000 1.097 558 F CA 0.548 58.666 58.000 0.196 0.000 1.264 558 F CB -0.721 38.390 39.000 0.186 0.000 1.001 558 F HN -0.041 nan 8.300 nan 0.000 0.479 559 V N 0.096 120.109 119.914 0.165 0.000 2.407 559 V HA -0.292 3.817 4.120 -0.018 0.000 0.248 559 V C 2.246 178.365 176.094 0.041 0.000 1.055 559 V CA 2.139 64.482 62.300 0.071 0.000 1.049 559 V CB -0.726 31.200 31.823 0.171 0.000 0.662 559 V HN 0.307 nan 8.190 nan 0.000 0.455 560 E N -0.521 119.737 120.200 0.097 0.000 2.051 560 E HA -0.244 4.095 4.350 -0.018 0.000 0.192 560 E C 2.005 178.584 176.600 -0.034 0.000 0.991 560 E CA 1.720 58.151 56.400 0.050 0.000 0.799 560 E CB -0.245 29.521 29.700 0.110 0.000 0.748 560 E HN 0.642 nan 8.360 nan 0.000 0.449 561 F N 1.500 121.382 119.950 -0.112 0.000 2.113 561 F HA -0.198 4.320 4.527 -0.015 0.000 0.297 561 F C 2.272 177.960 175.800 -0.187 0.000 1.103 561 F CA 1.699 59.613 58.000 -0.143 0.000 1.248 561 F CB -0.570 38.420 39.000 -0.017 0.000 0.999 561 F HN -0.110 nan 8.300 nan 0.000 0.475 562 T N -0.200 114.171 114.554 -0.305 0.000 2.665 562 T HA -0.219 4.120 4.350 -0.018 0.000 0.268 562 T C 1.846 176.336 174.700 -0.351 0.000 1.035 562 T CA 2.281 64.153 62.100 -0.380 0.000 1.151 562 T CB -0.822 67.848 68.868 -0.329 0.000 0.862 562 T HN 0.346 nan 8.240 nan 0.000 0.438 563 T N 2.305 116.712 114.554 -0.246 0.000 2.708 563 T HA -0.029 4.310 4.350 -0.018 0.000 0.266 563 T C 1.942 176.490 174.700 -0.253 0.000 1.037 563 T CA 1.255 63.236 62.100 -0.199 0.000 1.146 563 T CB -0.401 68.402 68.868 -0.107 0.000 0.865 563 T HN 0.316 nan 8.240 nan 0.000 0.435 564 M N 1.121 120.531 119.600 -0.317 0.000 2.106 564 M HA -0.154 4.316 4.480 -0.018 0.000 0.259 564 M C 2.144 178.197 176.300 -0.413 0.000 1.068 564 M CA 1.712 56.791 55.300 -0.368 0.000 1.100 564 M CB -0.400 31.935 32.600 -0.442 0.000 1.351 564 M HN 0.106 nan 8.290 nan 0.000 0.404 565 V N 1.040 120.627 119.914 -0.545 0.000 2.295 565 V HA -0.283 3.826 4.120 -0.018 0.000 0.246 565 V C 2.347 178.238 176.094 -0.338 0.000 1.049 565 V CA 1.741 63.752 62.300 -0.482 0.000 1.024 565 V CB -0.661 30.806 31.823 -0.594 0.000 0.648 565 V HN 0.546 nan 8.190 nan 0.000 0.447 566 L N -0.480 120.538 121.223 -0.342 0.000 2.217 566 L HA -0.100 4.230 4.340 -0.018 0.000 0.211 566 L C 2.633 179.403 176.870 -0.167 0.000 1.107 566 L CA 1.079 55.721 54.840 -0.329 0.000 0.783 566 L CB -0.489 41.363 42.059 -0.345 0.000 0.919 566 L HN 0.245 nan 8.230 nan 0.000 0.442 567 R N 0.265 120.675 120.500 -0.149 0.000 2.093 567 R HA -0.002 4.327 4.340 -0.018 0.000 0.224 567 R C 0.320 176.582 176.300 -0.063 0.000 1.101 567 R CA 0.856 56.914 56.100 -0.070 0.000 0.979 567 R CB -0.293 29.936 30.300 -0.119 0.000 0.877 567 R HN 0.273 nan 8.270 nan 0.000 0.441 568 C N 2.546 121.770 119.300 -0.126 0.000 2.258 568 C HA 0.425 4.874 4.460 -0.018 0.000 0.321 568 C C -1.620 173.326 174.990 -0.073 0.000 1.168 568 C CA -1.450 57.505 59.018 -0.105 0.000 1.531 568 C CB 1.620 29.261 27.740 -0.166 0.000 2.095 568 C HN 0.390 nan 8.230 nan 0.000 0.449 569 P HA -0.085 nan 4.420 nan 0.000 0.230 569 P C 0.880 178.192 177.300 0.020 0.000 1.158 569 P CA 1.186 64.302 63.100 0.027 0.000 0.769 569 P CB 0.229 31.986 31.700 0.094 0.000 0.807 570 E N -0.051 120.150 120.200 0.002 0.000 2.274 570 E HA -0.054 4.286 4.350 -0.018 0.000 0.194 570 E C 2.028 178.620 176.600 -0.014 0.000 0.996 570 E CA 0.561 56.956 56.400 -0.009 0.000 0.840 570 E CB -0.825 28.858 29.700 -0.029 0.000 0.772 570 E HN 0.246 nan 8.360 nan 0.000 0.491 571 L N 0.508 121.720 121.223 -0.018 0.000 2.023 571 L HA 0.021 4.351 4.340 -0.018 0.000 0.205 571 L C 0.622 177.584 176.870 0.152 0.000 1.073 571 L CA 0.580 55.465 54.840 0.076 0.000 0.745 571 L CB 0.086 42.113 42.059 -0.054 0.000 0.900 571 L HN 0.005 nan 8.230 nan 0.000 0.435 572 V N -0.075 119.875 119.914 0.060 0.000 2.376 572 V HA 0.115 4.224 4.120 -0.018 0.000 0.287 572 V C 0.850 176.950 176.094 0.009 0.000 1.015 572 V CA -0.067 62.255 62.300 0.036 0.000 0.834 572 V CB 1.563 33.409 31.823 0.039 0.000 1.001 572 V HN 0.286 nan 8.190 nan 0.000 0.428 573 S N 2.876 118.574 115.700 -0.004 0.000 2.436 573 S HA -0.027 4.432 4.470 -0.018 0.000 0.228 573 S C 0.993 175.596 174.600 0.006 0.000 1.014 573 S CA 0.384 58.586 58.200 0.004 0.000 0.950 573 S CB -0.216 62.978 63.200 -0.011 0.000 0.784 573 S HN 0.693 nan 8.310 nan 0.000 0.504 574 N N 3.845 122.542 118.700 -0.005 0.000 2.416 574 N HA 0.180 4.909 4.740 -0.018 0.000 0.265 574 N C -1.675 173.850 175.510 0.025 0.000 1.195 574 N CA -1.999 51.038 53.050 -0.022 0.000 0.943 574 N CB 1.283 39.757 38.487 -0.023 0.000 1.115 574 N HN 0.125 nan 8.380 nan 0.000 0.481 575 P HA -0.037 nan 4.420 nan 0.000 0.227 575 P C 0.561 178.029 177.300 0.279 0.000 1.161 575 P CA 0.901 64.104 63.100 0.172 0.000 0.788 575 P CB 0.279 32.061 31.700 0.136 0.000 0.822 576 H N -0.191 118.950 119.070 0.117 0.000 2.387 576 H HA -0.042 4.503 4.556 -0.018 0.000 0.299 576 H C 1.911 177.248 175.328 0.014 0.000 1.090 576 H CA 0.649 56.766 56.048 0.115 0.000 1.332 576 H CB -1.153 28.686 29.762 0.127 0.000 1.386 576 H HN 0.041 nan 8.280 nan 0.000 0.516 577 L N 1.367 122.670 121.223 0.134 0.000 2.027 577 L HA -0.112 4.217 4.340 -0.018 0.000 0.206 577 L C 1.953 178.838 176.870 0.025 0.000 1.074 577 L CA 1.734 56.605 54.840 0.051 0.000 0.745 577 L CB -0.455 41.638 42.059 0.057 0.000 0.898 577 L HN 0.055 nan 8.230 nan 0.000 0.433 578 K N -0.965 119.462 120.400 0.045 0.000 2.148 578 K HA -0.067 4.242 4.320 -0.018 0.000 0.204 578 K C 1.987 178.610 176.600 0.037 0.000 1.050 578 K CA 1.004 57.252 56.287 -0.066 0.000 0.942 578 K CB -0.564 31.822 32.500 -0.190 0.000 0.724 578 K HN 0.517 nan 8.250 nan 0.000 0.446 579 G N 2.138 111.083 108.800 0.241 0.000 2.440 579 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.218 579 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.218 579 G C 1.386 176.363 174.900 0.130 0.000 1.154 579 G CA 0.852 46.136 45.100 0.306 0.000 0.767 579 G HN 0.254 nan 8.290 nan 0.000 0.552 580 K N -0.264 120.048 120.400 -0.146 0.000 2.097 580 K HA 0.126 4.436 4.320 -0.018 0.000 0.205 580 K C 2.498 179.113 176.600 0.026 0.000 1.050 580 K CA 0.543 56.694 56.287 -0.227 0.000 0.938 580 K CB -0.218 32.080 32.500 -0.337 0.000 0.718 580 K HN 0.265 nan 8.250 nan 0.000 0.442 581 L N 0.164 121.400 121.223 0.021 0.000 2.056 581 L HA -0.151 4.178 4.340 -0.018 0.000 0.207 581 L C 2.346 179.231 176.870 0.026 0.000 1.078 581 L CA 0.761 55.613 54.840 0.020 0.000 0.749 581 L CB -0.314 41.704 42.059 -0.068 0.000 0.901 581 L HN 0.036 nan 8.230 nan 0.000 0.433 582 V N -0.631 119.307 119.914 0.040 0.000 2.591 582 V HA -0.246 3.863 4.120 -0.018 0.000 0.249 582 V C 2.389 178.565 176.094 0.137 0.000 1.053 582 V CA 1.486 63.831 62.300 0.076 0.000 1.068 582 V CB 0.089 32.004 31.823 0.154 0.000 0.689 582 V HN 0.521 nan 8.190 nan 0.000 0.462 583 Q N -0.810 119.104 119.800 0.189 0.000 2.135 583 Q HA -0.248 4.082 4.340 -0.018 0.000 0.204 583 Q C 2.153 178.264 176.000 0.184 0.000 0.981 583 Q CA 2.166 58.102 55.803 0.222 0.000 0.856 583 Q CB -0.131 28.800 28.738 0.322 0.000 0.902 583 Q HN 0.597 nan 8.270 nan 0.000 0.425 584 L N 0.305 121.632 121.223 0.174 0.000 2.056 584 L HA -0.144 4.185 4.340 -0.018 0.000 0.207 584 L C 1.975 178.937 176.870 0.153 0.000 1.078 584 L CA 1.521 56.475 54.840 0.191 0.000 0.749 584 L CB -0.389 41.813 42.059 0.240 0.000 0.901 584 L HN 0.282 nan 8.230 nan 0.000 0.433 585 L N -0.864 120.434 121.223 0.125 0.000 2.083 585 L HA -0.195 4.134 4.340 -0.018 0.000 0.209 585 L C 2.699 179.646 176.870 0.129 0.000 1.083 585 L CA 1.441 56.376 54.840 0.158 0.000 0.752 585 L CB -0.919 41.204 42.059 0.106 0.000 0.899 585 L HN 0.520 nan 8.230 nan 0.000 0.433 586 S N -0.531 115.224 115.700 0.091 0.000 2.383 586 S HA -0.130 4.329 4.470 -0.018 0.000 0.227 586 S C 1.941 176.566 174.600 0.042 0.000 1.026 586 S CA 1.088 59.323 58.200 0.058 0.000 0.981 586 S CB -0.623 62.611 63.200 0.055 0.000 0.818 586 S HN 0.159 nan 8.310 nan 0.000 0.472 587 V N 2.102 122.056 119.914 0.067 0.000 2.392 587 V HA -0.048 4.061 4.120 -0.018 0.000 0.249 587 V C 2.744 178.763 176.094 -0.125 0.000 1.059 587 V CA 1.863 64.204 62.300 0.067 0.000 1.051 587 V CB -1.441 30.486 31.823 0.174 0.000 0.658 587 V HN 0.709 nan 8.190 nan 0.000 0.455 588 G N -1.416 107.171 108.800 -0.354 0.000 2.848 588 G HA2 0.161 4.111 3.960 -0.018 0.000 0.208 588 G HA3 0.161 4.111 3.960 -0.018 0.000 0.208 588 G C 1.343 175.928 174.900 -0.525 0.000 1.152 588 G CA 0.760 45.252 45.100 -1.013 0.000 0.789 588 G HN 0.592 nan 8.290 nan 0.000 0.531 589 A N -0.071 122.659 122.820 -0.149 0.000 2.140 589 A HA 0.511 4.821 4.320 -0.018 0.000 0.209 589 A C 1.211 178.790 177.584 -0.009 0.000 1.181 589 A CA -0.223 51.822 52.037 0.014 0.000 0.824 589 A CB -0.020 19.049 19.000 0.115 0.000 0.879 589 A HN 0.321 nan 8.150 nan 0.000 0.480 590 M N 2.034 121.624 119.600 -0.018 0.000 2.284 590 M HA 0.128 4.598 4.480 -0.018 0.000 0.351 590 M C -2.251 174.074 176.300 0.042 0.000 1.443 590 M CA -1.280 54.033 55.300 0.023 0.000 1.031 590 M CB 0.292 32.916 32.600 0.041 0.000 1.893 590 M HN 0.024 nan 8.290 nan 0.000 0.456 591 P HA 0.069 nan 4.420 nan 0.000 0.268 591 P C -0.667 176.673 177.300 0.067 0.000 1.208 591 P CA 0.048 63.189 63.100 0.069 0.000 0.777 591 P CB 0.372 32.115 31.700 0.072 0.000 0.875 592 L N 1.000 122.268 121.223 0.076 0.000 2.475 592 L HA 0.123 4.452 4.340 -0.018 0.000 0.253 592 L C 1.878 178.769 176.870 0.035 0.000 1.198 592 L CA -0.147 54.729 54.840 0.061 0.000 0.814 592 L CB -0.376 41.731 42.059 0.081 0.000 1.134 592 L HN 0.391 nan 8.230 nan 0.000 0.478 593 T N -1.187 113.374 114.554 0.012 0.000 2.849 593 T HA -0.141 4.198 4.350 -0.018 0.000 0.270 593 T C 0.983 175.690 174.700 0.011 0.000 1.066 593 T CA 1.406 63.508 62.100 0.004 0.000 1.130 593 T CB -0.341 68.519 68.868 -0.014 0.000 0.864 593 T HN 0.759 nan 8.240 nan 0.000 0.481 594 D N 0.981 121.393 120.400 0.021 0.000 2.328 594 D HA 0.010 4.639 4.640 -0.018 0.000 0.221 594 D C 0.285 176.604 176.300 0.031 0.000 1.072 594 D CA -0.071 53.944 54.000 0.025 0.000 0.850 594 D CB -0.267 40.552 40.800 0.031 0.000 0.922 594 D HN 0.244 nan 8.370 nan 0.000 0.516 595 N N -0.027 118.694 118.700 0.035 0.000 2.965 595 N HA -0.183 4.547 4.740 -0.018 0.000 0.232 595 N C -0.131 175.409 175.510 0.050 0.000 0.913 595 N CA 1.073 54.145 53.050 0.037 0.000 0.981 595 N CB -2.285 36.215 38.487 0.022 0.000 1.077 595 N HN 0.469 nan 8.380 nan 0.000 0.589 596 S N 0.575 116.311 115.700 0.060 0.000 2.569 596 S HA 0.361 4.820 4.470 -0.018 0.000 0.274 596 S C -2.312 172.339 174.600 0.085 0.000 1.353 596 S CA -0.837 57.408 58.200 0.075 0.000 1.023 596 S CB 0.361 63.615 63.200 0.090 0.000 0.876 596 S HN 0.011 nan 8.310 nan 0.000 0.540 597 P HA 0.166 nan 4.420 nan 0.000 0.266 597 P C 0.666 178.019 177.300 0.088 0.000 1.193 597 P CA 0.379 63.528 63.100 0.081 0.000 0.770 597 P CB -0.030 31.713 31.700 0.072 0.000 0.836 598 G N 1.857 110.688 108.800 0.052 0.000 2.630 598 G HA2 0.033 3.982 3.960 -0.018 0.000 0.236 598 G HA3 0.033 3.982 3.960 -0.018 0.000 0.236 598 G C 0.593 175.486 174.900 -0.012 0.000 1.248 598 G CA -0.447 44.662 45.100 0.015 0.000 0.844 598 G HN 0.577 nan 8.290 nan 0.000 0.588 599 F N -1.021 118.972 119.950 0.071 0.000 2.546 599 F HA 0.125 4.642 4.527 -0.017 0.000 0.298 599 F C 2.087 177.845 175.800 -0.071 0.000 1.120 599 F CA 0.678 58.727 58.000 0.083 0.000 1.456 599 F CB -0.212 38.955 39.000 0.278 0.000 1.088 599 F HN 0.236 nan 8.300 nan 0.000 0.572 600 M N -0.362 118.902 119.600 -0.560 0.000 2.441 600 M HA 0.088 4.557 4.480 -0.018 0.000 0.244 600 M C 1.590 177.329 176.300 -0.935 0.000 1.122 600 M CA 0.021 54.872 55.300 -0.748 0.000 1.041 600 M CB -0.036 31.895 32.600 -1.116 0.000 1.438 600 M HN 0.130 nan 8.290 nan 0.000 0.484 601 M N 0.307 119.592 119.600 -0.525 0.000 2.144 601 M HA -0.236 4.234 4.480 -0.018 0.000 0.260 601 M C 1.287 177.528 176.300 -0.099 0.000 1.067 601 M CA 1.882 57.041 55.300 -0.235 0.000 1.095 601 M CB -1.192 31.389 32.600 -0.032 0.000 1.365 601 M HN 0.261 nan 8.290 nan 0.000 0.406 602 D N 0.354 120.713 120.400 -0.069 0.000 2.097 602 D HA -0.101 4.529 4.640 -0.018 0.000 0.195 602 D C 1.958 178.306 176.300 0.079 0.000 0.989 602 D CA 1.154 55.188 54.000 0.056 0.000 0.827 602 D CB 0.047 40.893 40.800 0.077 0.000 0.966 602 D HN 0.301 nan 8.370 nan 0.000 0.456 603 I N -0.118 120.445 120.570 -0.010 0.000 2.226 603 I HA -0.249 3.910 4.170 -0.018 0.000 0.245 603 I C 1.747 177.966 176.117 0.170 0.000 1.100 603 I CA 0.532 61.866 61.300 0.056 0.000 1.374 603 I CB -0.227 37.772 38.000 -0.001 0.000 1.057 603 I HN 0.054 nan 8.210 nan 0.000 0.413 604 F N 1.030 121.009 119.950 0.048 0.000 2.120 604 F HA -0.255 4.262 4.527 -0.016 0.000 0.300 604 F C 2.614 178.528 175.800 0.191 0.000 1.095 604 F CA 1.763 59.803 58.000 0.067 0.000 1.249 604 F CB -1.100 37.842 39.000 -0.098 0.000 0.995 604 F HN 0.219 nan 8.300 nan 0.000 0.480 605 E N -0.823 119.527 120.200 0.251 0.000 2.046 605 E HA -0.181 4.159 4.350 -0.018 0.000 0.190 605 E C 1.612 178.111 176.600 -0.168 0.000 0.982 605 E CA 1.442 57.841 56.400 -0.003 0.000 0.800 605 E CB -0.175 29.341 29.700 -0.307 0.000 0.756 605 E HN 0.536 nan 8.360 nan 0.000 0.449 606 H N -0.609 118.535 119.070 0.123 0.000 2.592 606 H HA 0.145 4.690 4.556 -0.017 0.000 0.265 606 H C -0.106 175.259 175.328 0.062 0.000 0.955 606 H CA 0.165 56.255 56.048 0.071 0.000 1.175 606 H CB 0.495 30.288 29.762 0.051 0.000 1.433 606 H HN 0.036 nan 8.280 nan 0.000 0.537 607 D N 1.321 121.822 120.400 0.169 0.000 2.325 607 D HA -0.032 4.598 4.640 -0.018 0.000 0.251 607 D C 0.521 176.874 176.300 0.089 0.000 1.196 607 D CA 0.110 54.187 54.000 0.128 0.000 0.866 607 D CB 0.953 41.838 40.800 0.141 0.000 1.101 607 D HN 0.387 nan 8.370 nan 0.000 0.476 608 E N 2.288 122.524 120.200 0.059 0.000 2.118 608 E HA -0.208 4.131 4.350 -0.018 0.000 0.195 608 E C 1.678 178.282 176.600 0.006 0.000 0.992 608 E CA 0.682 57.092 56.400 0.017 0.000 0.804 608 E CB 0.189 29.893 29.700 0.006 0.000 0.741 608 E HN 0.413 nan 8.360 nan 0.000 0.458 609 L N 0.269 121.513 121.223 0.036 0.000 2.056 609 L HA -0.139 4.190 4.340 -0.018 0.000 0.207 609 L C 2.109 178.980 176.870 0.001 0.000 1.078 609 L CA 1.344 56.193 54.840 0.014 0.000 0.749 609 L CB -0.208 41.879 42.059 0.047 0.000 0.901 609 L HN -0.045 nan 8.230 nan 0.000 0.433 610 V N 1.017 120.963 119.914 0.052 0.000 2.307 610 V HA -0.229 3.880 4.120 -0.018 0.000 0.245 610 V C 2.242 178.387 176.094 0.086 0.000 1.045 610 V CA 1.681 64.032 62.300 0.085 0.000 1.024 610 V CB -1.209 30.726 31.823 0.187 0.000 0.651 610 V HN 0.738 nan 8.190 nan 0.000 0.449 611 N N 0.512 119.247 118.700 0.057 0.000 2.459 611 N HA -0.150 4.579 4.740 -0.018 0.000 0.181 611 N C 1.489 176.888 175.510 -0.185 0.000 1.046 611 N CA 1.131 54.141 53.050 -0.067 0.000 0.904 611 N CB -0.393 38.005 38.487 -0.149 0.000 0.964 611 N HN 0.398 nan 8.380 nan 0.000 0.444 612 K N -0.682 119.646 120.400 -0.119 0.000 2.305 612 K HA 0.191 4.500 4.320 -0.018 0.000 0.199 612 K C 0.709 177.231 176.600 -0.130 0.000 1.047 612 K CA 0.500 56.697 56.287 -0.151 0.000 0.976 612 K CB 0.207 32.627 32.500 -0.133 0.000 0.765 612 K HN 0.272 nan 8.250 nan 0.000 0.474 613 N N -0.444 118.212 118.700 -0.073 0.000 2.297 613 N HA -0.027 4.702 4.740 -0.018 0.000 0.208 613 N C 1.332 176.851 175.510 0.016 0.000 1.176 613 N CA 0.098 53.115 53.050 -0.056 0.000 0.882 613 N CB 0.351 38.782 38.487 -0.093 0.000 1.134 613 N HN -0.016 nan 8.380 nan 0.000 0.489 614 L N 1.945 123.193 121.223 0.043 0.000 1.989 614 L HA -0.050 4.279 4.340 -0.018 0.000 0.211 614 L C 2.184 179.087 176.870 0.056 0.000 1.071 614 L CA 1.417 56.269 54.840 0.020 0.000 0.749 614 L CB -0.883 41.156 42.059 -0.034 0.000 0.890 614 L HN 0.060 nan 8.230 nan 0.000 0.431 615 L N -1.448 119.874 121.223 0.165 0.000 1.990 615 L HA -0.297 4.032 4.340 -0.018 0.000 0.213 615 L C 2.429 179.373 176.870 0.123 0.000 1.072 615 L CA 2.165 57.090 54.840 0.141 0.000 0.755 615 L CB -0.989 41.196 42.059 0.210 0.000 0.889 615 L HN 0.460 nan 8.230 nan 0.000 0.432 616 Y N 0.090 120.417 120.300 0.045 0.000 2.128 616 Y HA -0.297 4.238 4.550 -0.025 0.000 0.284 616 Y C 2.397 178.371 175.900 0.125 0.000 1.154 616 Y CA 1.862 60.006 58.100 0.073 0.000 1.149 616 Y CB -0.731 37.666 38.460 -0.105 0.000 0.976 616 Y HN 0.309 nan 8.280 nan 0.000 0.505 617 A N 0.104 123.093 122.820 0.281 0.000 1.917 617 A HA -0.213 4.097 4.320 -0.018 0.000 0.219 617 A C 2.308 179.975 177.584 0.138 0.000 1.182 617 A CA 2.106 54.249 52.037 0.177 0.000 0.633 617 A CB -1.152 17.870 19.000 0.037 0.000 0.819 617 A HN 0.567 nan 8.150 nan 0.000 0.448 618 L N -1.009 120.259 121.223 0.074 0.000 2.072 618 L HA -0.107 4.223 4.340 -0.018 0.000 0.205 618 L C 2.563 179.457 176.870 0.039 0.000 1.079 618 L CA 0.874 55.756 54.840 0.069 0.000 0.752 618 L CB -0.498 41.542 42.059 -0.030 0.000 0.906 618 L HN 0.357 nan 8.230 nan 0.000 0.436 619 L N -0.464 120.693 121.223 -0.110 0.000 2.056 619 L HA -0.216 4.113 4.340 -0.018 0.000 0.207 619 L C 2.260 179.024 176.870 -0.177 0.000 1.078 619 L CA 1.158 55.778 54.840 -0.366 0.000 0.749 619 L CB -0.545 41.222 42.059 -0.485 0.000 0.901 619 L HN 0.274 nan 8.230 nan 0.000 0.433 620 D N 0.085 120.513 120.400 0.046 0.000 2.084 620 D HA -0.259 4.370 4.640 -0.018 0.000 0.194 620 D C 1.984 178.408 176.300 0.207 0.000 0.990 620 D CA 1.276 55.370 54.000 0.156 0.000 0.826 620 D CB -0.090 40.883 40.800 0.289 0.000 0.971 620 D HN 0.164 nan 8.370 nan 0.000 0.453 621 F N -0.092 119.902 119.950 0.074 0.000 2.269 621 F HA -0.135 4.380 4.527 -0.020 0.000 0.301 621 F C 1.966 177.819 175.800 0.089 0.000 1.082 621 F CA 0.934 58.975 58.000 0.067 0.000 1.360 621 F CB -0.732 38.297 39.000 0.048 0.000 1.041 621 F HN 0.069 nan 8.300 nan 0.000 0.512 622 Y N -0.422 119.857 120.300 -0.036 0.000 2.207 622 Y HA -0.248 4.289 4.550 -0.022 0.000 0.287 622 Y C 2.171 177.990 175.900 -0.134 0.000 1.156 622 Y CA 2.025 60.073 58.100 -0.085 0.000 1.182 622 Y CB -0.259 38.259 38.460 0.095 0.000 0.979 622 Y HN -0.079 nan 8.280 nan 0.000 0.521 623 V N -0.167 119.817 119.914 0.116 0.000 2.302 623 V HA -0.264 3.845 4.120 -0.018 0.000 0.243 623 V C 2.208 178.258 176.094 -0.073 0.000 1.036 623 V CA 1.837 64.155 62.300 0.029 0.000 1.020 623 V CB -0.535 31.296 31.823 0.013 0.000 0.657 623 V HN 0.366 nan 8.190 nan 0.000 0.453 624 I N 1.256 121.791 120.570 -0.059 0.000 2.335 624 I HA -0.209 3.951 4.170 -0.018 0.000 0.251 624 I C 2.274 178.299 176.117 -0.154 0.000 1.129 624 I CA 1.641 62.910 61.300 -0.051 0.000 1.402 624 I CB -0.293 37.750 38.000 0.072 0.000 1.069 624 I HN 0.356 nan 8.210 nan 0.000 0.424 625 V N -1.572 118.118 119.914 -0.372 0.000 3.140 625 V HA -0.228 3.881 4.120 -0.018 0.000 0.269 625 V C 2.173 178.109 176.094 -0.264 0.000 1.149 625 V CA 1.755 63.818 62.300 -0.396 0.000 1.162 625 V CB -0.934 30.517 31.823 -0.621 0.000 0.756 625 V HN 0.382 nan 8.190 nan 0.000 0.523 626 E N 2.813 122.883 120.200 -0.215 0.000 2.077 626 E HA -0.171 4.168 4.350 -0.018 0.000 0.193 626 E C 1.500 178.032 176.600 -0.114 0.000 0.989 626 E CA 1.189 57.486 56.400 -0.171 0.000 0.800 626 E CB -0.336 29.296 29.700 -0.113 0.000 0.746 626 E HN 0.887 nan 8.360 nan 0.000 0.452 627 K N 1.005 121.358 120.400 -0.078 0.000 2.079 627 K HA -0.005 4.304 4.320 -0.018 0.000 0.255 627 K C -0.349 176.226 176.600 -0.042 0.000 1.114 627 K CA 0.847 57.107 56.287 -0.044 0.000 1.056 627 K CB -0.373 32.116 32.500 -0.019 0.000 1.176 627 K HN 0.023 nan 8.250 nan 0.000 0.353 628 T N 1.339 115.866 114.554 -0.045 0.000 3.287 628 T HA -0.178 4.161 4.350 -0.018 0.000 0.428 628 T C 0.098 174.786 174.700 -0.019 0.000 0.770 628 T CA 0.877 62.959 62.100 -0.031 0.000 2.165 628 T CB -1.404 67.454 68.868 -0.016 0.000 1.677 628 T HN 0.963 nan 8.240 nan 0.000 0.633 633 Q N -1.474 117.821 119.800 -0.841 0.000 3.240 633 Q HA -0.074 4.255 4.340 -0.018 0.000 0.024 633 Q C -0.679 174.716 176.000 -1.009 0.000 1.714 633 Q CA 1.087 56.375 55.803 -0.858 0.000 0.236 633 Q CB -1.036 27.492 28.738 -0.350 0.000 0.682 633 Q HN 0.820 nan 8.270 nan 0.000 0.322 634 F N -1.404 118.451 119.950 -0.157 0.000 2.798 634 F HA 0.279 4.796 4.527 -0.016 0.000 0.328 634 F C 0.314 175.935 175.800 -0.298 0.000 1.098 634 F CA -0.277 57.621 58.000 -0.170 0.000 1.172 634 F CB 0.608 39.506 39.000 -0.169 0.000 1.072 634 F HN 0.492 nan 8.300 nan 0.000 0.555 635 Y N 1.171 121.463 120.300 -0.013 0.000 2.933 635 Y HA 0.228 4.766 4.550 -0.019 0.000 0.380 635 Y C 0.472 176.380 175.900 0.014 0.000 1.056 635 Y CA -1.311 56.814 58.100 0.042 0.000 1.704 635 Y CB -0.874 37.636 38.460 0.083 0.000 1.558 635 Y HN -0.119 nan 8.280 nan 0.000 0.501 636 D N 1.479 121.908 120.400 0.048 0.000 2.703 636 D HA -0.203 4.426 4.640 -0.018 0.000 0.220 636 D C 1.386 177.662 176.300 -0.039 0.000 1.188 636 D CA 0.660 54.667 54.000 0.013 0.000 0.862 636 D CB 0.911 41.772 40.800 0.101 0.000 1.223 636 D HN 0.529 nan 8.370 nan 0.000 0.524 637 K N 1.510 121.783 120.400 -0.213 0.000 2.211 637 K HA -0.201 4.108 4.320 -0.018 0.000 0.204 637 K C 1.747 178.102 176.600 -0.409 0.000 1.047 637 K CA 1.413 57.455 56.287 -0.410 0.000 0.935 637 K CB -0.274 31.867 32.500 -0.599 0.000 0.728 637 K HN 0.299 nan 8.250 nan 0.000 0.452 638 F N 1.905 121.835 119.950 -0.034 0.000 2.335 638 F HA 0.050 4.568 4.527 -0.015 0.000 0.296 638 F C 2.011 177.831 175.800 0.033 0.000 1.091 638 F CA 0.492 58.483 58.000 -0.014 0.000 1.399 638 F CB -0.433 38.581 39.000 0.024 0.000 1.067 638 F HN 0.041 nan 8.300 nan 0.000 0.520 639 N N -0.012 118.808 118.700 0.199 0.000 2.135 639 N HA -0.122 4.607 4.740 -0.018 0.000 0.186 639 N C 2.012 177.657 175.510 0.225 0.000 1.027 639 N CA 1.453 54.620 53.050 0.195 0.000 0.849 639 N CB -0.745 37.818 38.487 0.126 0.000 1.002 639 N HN 0.102 nan 8.380 nan 0.000 0.425 640 S N 1.261 117.049 115.700 0.148 0.000 2.359 640 S HA -0.085 4.374 4.470 -0.018 0.000 0.224 640 S C 1.885 176.517 174.600 0.053 0.000 1.035 640 S CA 1.015 59.292 58.200 0.130 0.000 1.018 640 S CB -0.121 63.088 63.200 0.015 0.000 0.876 640 S HN 0.368 nan 8.310 nan 0.000 0.448 641 R N -0.604 119.839 120.500 -0.093 0.000 2.152 641 R HA -0.091 4.238 4.340 -0.018 0.000 0.232 641 R C 2.189 178.562 176.300 0.123 0.000 1.117 641 R CA 1.351 57.336 56.100 -0.193 0.000 0.981 641 R CB -0.366 29.631 30.300 -0.504 0.000 0.870 641 R HN 0.531 nan 8.270 nan 0.000 0.451 642 Y N 1.186 121.527 120.300 0.068 0.000 2.184 642 Y HA -0.104 4.435 4.550 -0.019 0.000 0.290 642 Y C 2.369 178.331 175.900 0.103 0.000 1.129 642 Y CA 1.347 59.505 58.100 0.097 0.000 1.144 642 Y CB -0.193 38.322 38.460 0.093 0.000 0.995 642 Y HN -0.125 nan 8.280 nan 0.000 0.513 643 S N 0.753 116.543 115.700 0.150 0.000 2.374 643 S HA -0.230 4.229 4.470 -0.018 0.000 0.227 643 S C 2.023 176.639 174.600 0.026 0.000 1.037 643 S CA 1.957 60.201 58.200 0.073 0.000 1.024 643 S CB -0.601 62.712 63.200 0.189 0.000 0.861 643 S HN 0.505 nan 8.310 nan 0.000 0.456 644 I N 1.176 121.807 120.570 0.102 0.000 2.226 644 I HA -0.166 3.993 4.170 -0.018 0.000 0.245 644 I C 2.356 178.508 176.117 0.059 0.000 1.100 644 I CA 0.938 62.313 61.300 0.125 0.000 1.374 644 I CB -0.306 37.866 38.000 0.288 0.000 1.057 644 I HN 0.196 nan 8.210 nan 0.000 0.413 645 S N 0.588 116.324 115.700 0.061 0.000 2.402 645 S HA -0.068 4.391 4.470 -0.018 0.000 0.229 645 S C 1.995 176.515 174.600 -0.135 0.000 1.021 645 S CA 1.062 59.255 58.200 -0.011 0.000 0.974 645 S CB -0.266 62.944 63.200 0.018 0.000 0.800 645 S HN 0.338 nan 8.310 nan 0.000 0.484 646 I N 1.286 121.737 120.570 -0.199 0.000 2.226 646 I HA -0.191 3.969 4.170 -0.018 0.000 0.245 646 I C 1.937 177.974 176.117 -0.134 0.000 1.100 646 I CA 1.268 62.452 61.300 -0.194 0.000 1.374 646 I CB -0.377 37.489 38.000 -0.223 0.000 1.057 646 I HN 0.259 nan 8.210 nan 0.000 0.413 647 I N 0.282 120.784 120.570 -0.115 0.000 2.252 647 I HA -0.273 3.886 4.170 -0.018 0.000 0.245 647 I C 2.411 178.420 176.117 -0.180 0.000 1.102 647 I CA 1.253 62.470 61.300 -0.139 0.000 1.385 647 I CB -0.336 37.558 38.000 -0.175 0.000 1.064 647 I HN 0.173 nan 8.210 nan 0.000 0.414 648 L N 0.461 121.596 121.223 -0.148 0.000 2.046 648 L HA -0.230 4.099 4.340 -0.018 0.000 0.208 648 L C 2.661 179.442 176.870 -0.148 0.000 1.077 648 L CA 1.601 56.369 54.840 -0.120 0.000 0.747 648 L CB -0.575 41.437 42.059 -0.077 0.000 0.896 648 L HN 0.359 nan 8.230 nan 0.000 0.432 649 E N 0.008 120.063 120.200 -0.243 0.000 2.047 649 E HA -0.214 4.125 4.350 -0.018 0.000 0.191 649 E C 2.059 178.321 176.600 -0.562 0.000 0.987 649 E CA 0.965 57.097 56.400 -0.447 0.000 0.799 649 E CB 0.189 29.660 29.700 -0.383 0.000 0.752 649 E HN 0.337 nan 8.360 nan 0.000 0.449 650 E N 0.842 120.874 120.200 -0.279 0.000 2.051 650 E HA -0.177 4.163 4.350 -0.018 0.000 0.192 650 E C 2.378 178.940 176.600 -0.064 0.000 0.991 650 E CA 0.726 57.060 56.400 -0.110 0.000 0.799 650 E CB -0.358 29.342 29.700 -0.000 0.000 0.748 650 E HN 0.382 nan 8.360 nan 0.000 0.449 651 L N -0.185 120.965 121.223 -0.122 0.000 2.021 651 L HA -0.260 4.069 4.340 -0.018 0.000 0.215 651 L C 2.591 179.481 176.870 0.035 0.000 1.074 651 L CA 1.697 56.448 54.840 -0.148 0.000 0.760 651 L CB -0.634 41.204 42.059 -0.368 0.000 0.889 651 L HN 0.140 nan 8.230 nan 0.000 0.433 652 Y N -0.816 119.428 120.300 -0.093 0.000 2.224 652 Y HA -0.288 4.251 4.550 -0.018 0.000 0.289 652 Y C 2.454 178.404 175.900 0.084 0.000 1.146 652 Y CA 1.568 59.668 58.100 -0.001 0.000 1.182 652 Y CB -0.133 38.315 38.460 -0.021 0.000 0.983 652 Y HN 0.069 nan 8.280 nan 0.000 0.524 653 Y N -0.406 119.999 120.300 0.176 0.000 2.220 653 Y HA -0.065 4.475 4.550 -0.017 0.000 0.291 653 Y C 2.056 177.980 175.900 0.039 0.000 1.129 653 Y CA 1.159 59.315 58.100 0.094 0.000 1.161 653 Y CB -0.458 38.054 38.460 0.088 0.000 0.997 653 Y HN 0.043 nan 8.280 nan 0.000 0.522 654 K N -0.594 119.936 120.400 0.217 0.000 2.360 654 K HA 0.324 4.633 4.320 -0.018 0.000 0.196 654 K C -0.246 176.415 176.600 0.101 0.000 1.049 654 K CA 0.277 56.651 56.287 0.145 0.000 1.049 654 K CB 0.805 33.389 32.500 0.140 0.000 0.881 654 K HN 0.082 nan 8.250 nan 0.000 0.542 655 I N 1.867 122.498 120.570 0.101 0.000 2.521 655 I HA 0.168 4.327 4.170 -0.018 0.000 0.277 655 I C -2.259 173.916 176.117 0.096 0.000 1.054 655 I CA -2.196 59.177 61.300 0.122 0.000 1.117 655 I CB 1.801 39.943 38.000 0.237 0.000 1.217 655 I HN -0.238 nan 8.210 nan 0.000 0.469 656 P HA -0.223 nan 4.420 nan 0.000 0.216 656 P C 1.753 179.032 177.300 -0.035 0.000 1.153 656 P CA 1.533 64.620 63.100 -0.022 0.000 0.858 656 P CB 0.178 31.867 31.700 -0.017 0.000 0.789 657 S N -2.344 113.328 115.700 -0.047 0.000 2.419 657 S HA -0.227 4.233 4.470 -0.018 0.000 0.235 657 S C 1.922 176.410 174.600 -0.187 0.000 1.019 657 S CA 1.108 59.226 58.200 -0.137 0.000 0.982 657 S CB -1.687 61.390 63.200 -0.204 0.000 0.789 657 S HN 0.155 nan 8.310 nan 0.000 0.490 658 Y N 1.805 122.071 120.300 -0.058 0.000 2.243 658 Y HA 0.150 4.688 4.550 -0.019 0.000 0.293 658 Y C 2.644 178.535 175.900 -0.016 0.000 1.124 658 Y CA 1.195 59.275 58.100 -0.034 0.000 1.159 658 Y CB -0.283 38.164 38.460 -0.021 0.000 1.008 658 Y HN 0.235 nan 8.280 nan 0.000 0.527 659 K N 0.585 121.007 120.400 0.037 0.000 2.044 659 K HA -0.235 4.074 4.320 -0.018 0.000 0.210 659 K C 1.694 178.276 176.600 -0.029 0.000 1.049 659 K CA 2.083 58.273 56.287 -0.163 0.000 0.927 659 K CB -0.146 32.096 32.500 -0.430 0.000 0.713 659 K HN 0.178 nan 8.250 nan 0.000 0.443 660 N N 0.727 119.404 118.700 -0.037 0.000 2.120 660 N HA -0.164 4.565 4.740 -0.018 0.000 0.188 660 N C 1.741 177.273 175.510 0.036 0.000 1.024 660 N CA 1.522 54.568 53.050 -0.007 0.000 0.852 660 N CB -0.195 38.271 38.487 -0.034 0.000 1.003 660 N HN 0.415 nan 8.380 nan 0.000 0.424 661 Q N 0.163 119.959 119.800 -0.006 0.000 2.172 661 Q HA 0.007 4.337 4.340 -0.018 0.000 0.200 661 Q C 2.117 178.179 176.000 0.104 0.000 0.964 661 Q CA 0.467 56.282 55.803 0.021 0.000 0.855 661 Q CB -0.062 28.621 28.738 -0.092 0.000 0.918 661 Q HN 0.274 nan 8.270 nan 0.000 0.444 662 L N 0.675 121.943 121.223 0.074 0.000 1.994 662 L HA -0.200 4.129 4.340 -0.018 0.000 0.208 662 L C 2.058 178.824 176.870 -0.173 0.000 1.071 662 L CA 1.485 56.316 54.840 -0.014 0.000 0.745 662 L CB -0.152 41.929 42.059 0.037 0.000 0.892 662 L HN 0.197 nan 8.230 nan 0.000 0.431 663 I N -1.751 118.770 120.570 -0.083 0.000 2.208 663 I HA -0.337 3.823 4.170 -0.018 0.000 0.245 663 I C 2.255 178.287 176.117 -0.141 0.000 1.097 663 I CA 1.836 63.050 61.300 -0.144 0.000 1.363 663 I CB -0.497 37.484 38.000 -0.031 0.000 1.051 663 I HN 0.518 nan 8.210 nan 0.000 0.413 664 W N 1.766 122.965 121.300 -0.169 0.000 2.333 664 W HA -0.263 4.384 4.660 -0.021 0.000 0.316 664 W C 2.748 179.176 176.519 -0.152 0.000 1.215 664 W CA 1.480 58.744 57.345 -0.135 0.000 1.278 664 W CB -0.167 29.234 29.460 -0.098 0.000 1.154 664 W HN 0.059 nan 8.180 nan 0.000 0.486 665 Q N -0.031 119.894 119.800 0.208 0.000 2.112 665 Q HA -0.231 4.098 4.340 -0.018 0.000 0.206 665 Q C 2.396 178.254 176.000 -0.238 0.000 0.987 665 Q CA 2.362 58.239 55.803 0.123 0.000 0.858 665 Q CB -1.366 27.526 28.738 0.256 0.000 0.905 665 Q HN 0.530 nan 8.270 nan 0.000 0.420 666 S N -0.560 114.772 115.700 -0.613 0.000 2.428 666 S HA -0.106 4.353 4.470 -0.018 0.000 0.230 666 S C 1.807 176.143 174.600 -0.439 0.000 1.014 666 S CA 0.844 58.551 58.200 -0.821 0.000 0.957 666 S CB 0.001 62.337 63.200 -1.439 0.000 0.784 666 S HN 0.341 nan 8.310 nan 0.000 0.499 667 Q N 0.619 120.159 119.800 -0.433 0.000 2.250 667 Q HA 0.201 4.530 4.340 -0.018 0.000 0.200 667 Q C 1.134 176.867 176.000 -0.446 0.000 0.941 667 Q CA 1.145 56.721 55.803 -0.377 0.000 0.872 667 Q CB 0.012 28.544 28.738 -0.344 0.000 0.965 667 Q HN 0.746 nan 8.270 nan 0.000 0.480 668 N N -0.566 117.716 118.700 -0.697 0.000 2.210 668 N HA 0.072 4.801 4.740 -0.018 0.000 0.203 668 N C -0.122 175.051 175.510 -0.561 0.000 1.175 668 N CA 0.012 52.570 53.050 -0.821 0.000 0.894 668 N CB 0.694 38.192 38.487 -1.648 0.000 1.041 668 N HN 0.004 nan 8.380 nan 0.000 0.506 669 N N 0.498 118.985 118.700 -0.354 0.000 2.622 669 N HA 0.260 4.989 4.740 -0.018 0.000 0.304 669 N C 0.541 176.107 175.510 0.094 0.000 1.844 669 N CA -0.092 52.932 53.050 -0.043 0.000 0.886 669 N CB 0.359 38.916 38.487 0.117 0.000 1.366 669 N HN 0.063 nan 8.380 nan 0.000 0.491 670 A N 0.560 123.385 122.820 0.007 0.000 1.917 670 A HA -0.217 4.093 4.320 -0.018 0.000 0.219 670 A C 1.689 179.350 177.584 0.128 0.000 1.182 670 A CA 1.622 53.696 52.037 0.062 0.000 0.633 670 A CB -0.255 18.739 19.000 -0.010 0.000 0.819 670 A HN 0.454 nan 8.150 nan 0.000 0.448 671 D N -1.361 119.105 120.400 0.110 0.000 2.144 671 D HA -0.138 4.491 4.640 -0.018 0.000 0.199 671 D C 1.619 178.008 176.300 0.149 0.000 0.984 671 D CA 1.439 55.503 54.000 0.106 0.000 0.834 671 D CB -0.415 40.441 40.800 0.093 0.000 0.955 671 D HN 0.553 nan 8.370 nan 0.000 0.465 672 F N 0.430 120.415 119.950 0.058 0.000 2.128 672 F HA -0.127 4.381 4.527 -0.031 0.000 0.295 672 F C 2.102 177.936 175.800 0.058 0.000 1.100 672 F CA 0.817 58.842 58.000 0.043 0.000 1.260 672 F CB -0.424 38.608 39.000 0.053 0.000 1.009 672 F HN -0.149 nan 8.300 nan 0.000 0.476 673 F N 0.568 120.513 119.950 -0.007 0.000 2.126 673 F HA -0.167 4.348 4.527 -0.019 0.000 0.299 673 F C 2.105 177.828 175.800 -0.128 0.000 1.096 673 F CA 1.741 59.664 58.000 -0.127 0.000 1.255 673 F CB -0.794 38.171 39.000 -0.058 0.000 0.997 673 F HN -0.146 nan 8.300 nan 0.000 0.479 674 V N 0.566 120.429 119.914 -0.085 0.000 2.515 674 V HA -0.256 3.854 4.120 -0.018 0.000 0.250 674 V C 2.589 178.552 176.094 -0.218 0.000 1.058 674 V CA 1.964 64.161 62.300 -0.172 0.000 1.064 674 V CB -0.703 31.096 31.823 -0.040 0.000 0.675 674 V HN 0.284 nan 8.190 nan 0.000 0.461 675 R N -0.703 119.680 120.500 -0.195 0.000 2.081 675 R HA -0.184 4.145 4.340 -0.018 0.000 0.235 675 R C 2.283 178.456 176.300 -0.212 0.000 1.131 675 R CA 1.964 57.962 56.100 -0.170 0.000 0.960 675 R CB -0.330 29.880 30.300 -0.151 0.000 0.856 675 R HN 0.560 nan 8.270 nan 0.000 0.436 676 F N 0.652 120.302 119.950 -0.501 0.000 2.102 676 F HA -0.164 4.349 4.527 -0.024 0.000 0.298 676 F C 1.768 177.277 175.800 -0.485 0.000 1.105 676 F CA 1.300 58.980 58.000 -0.534 0.000 1.239 676 F CB -0.497 38.049 39.000 -0.756 0.000 0.991 676 F HN -0.237 nan 8.300 nan 0.000 0.474 677 V N 1.051 120.437 119.914 -0.880 0.000 2.307 677 V HA -0.245 3.864 4.120 -0.018 0.000 0.245 677 V C 2.887 178.761 176.094 -0.366 0.000 1.045 677 V CA 1.743 63.558 62.300 -0.807 0.000 1.024 677 V CB -1.672 29.845 31.823 -0.511 0.000 0.651 677 V HN 0.522 nan 8.190 nan 0.000 0.449 678 A N -0.211 122.474 122.820 -0.225 0.000 1.892 678 A HA -0.263 4.047 4.320 -0.018 0.000 0.218 678 A C 2.416 179.961 177.584 -0.065 0.000 1.188 678 A CA 1.902 53.889 52.037 -0.082 0.000 0.631 678 A CB -0.561 18.407 19.000 -0.054 0.000 0.822 678 A HN 0.367 nan 8.150 nan 0.000 0.447 679 R N -1.140 119.298 120.500 -0.103 0.000 2.070 679 R HA -0.129 4.200 4.340 -0.018 0.000 0.233 679 R C 2.289 178.595 176.300 0.010 0.000 1.137 679 R CA 1.916 58.008 56.100 -0.013 0.000 0.945 679 R CB -0.727 29.605 30.300 0.054 0.000 0.845 679 R HN 0.701 nan 8.270 nan 0.000 0.430 680 M N 0.505 120.011 119.600 -0.157 0.000 2.106 680 M HA -0.221 4.248 4.480 -0.018 0.000 0.259 680 M C 2.271 178.604 176.300 0.056 0.000 1.068 680 M CA 1.559 56.776 55.300 -0.138 0.000 1.100 680 M CB -0.137 32.042 32.600 -0.702 0.000 1.351 680 M HN 0.209 nan 8.290 nan 0.000 0.404 681 L N -0.105 121.191 121.223 0.122 0.000 2.005 681 L HA -0.270 4.059 4.340 -0.018 0.000 0.207 681 L C 2.019 178.921 176.870 0.054 0.000 1.072 681 L CA 2.076 57.025 54.840 0.181 0.000 0.744 681 L CB -0.508 41.642 42.059 0.151 0.000 0.895 681 L HN 0.384 nan 8.230 nan 0.000 0.433 682 N N -0.114 118.616 118.700 0.050 0.000 2.104 682 N HA -0.237 4.492 4.740 -0.018 0.000 0.190 682 N C 1.445 176.967 175.510 0.020 0.000 1.024 682 N CA 1.763 54.857 53.050 0.073 0.000 0.853 682 N CB -0.044 38.510 38.487 0.112 0.000 1.008 682 N HN 0.336 nan 8.380 nan 0.000 0.424 683 D N -0.416 119.943 120.400 -0.069 0.000 2.178 683 D HA -0.093 4.536 4.640 -0.018 0.000 0.202 683 D C 1.501 177.386 176.300 -0.692 0.000 0.974 683 D CA 0.409 54.108 54.000 -0.501 0.000 0.841 683 D CB -0.225 40.490 40.800 -0.142 0.000 0.953 683 D HN 0.195 nan 8.370 nan 0.000 0.478 684 L N 1.010 122.086 121.223 -0.245 0.000 2.465 684 L HA -0.041 4.288 4.340 -0.018 0.000 0.224 684 L C 2.231 179.036 176.870 -0.108 0.000 1.145 684 L CA 1.209 55.956 54.840 -0.155 0.000 0.834 684 L CB -1.261 40.790 42.059 -0.013 0.000 0.944 684 L HN 0.117 nan 8.230 nan 0.000 0.451 685 T N -3.606 110.892 114.554 -0.093 0.000 2.915 685 T HA -0.167 4.173 4.350 -0.018 0.000 0.269 685 T C 1.433 176.202 174.700 0.115 0.000 1.071 685 T CA 1.448 63.559 62.100 0.019 0.000 1.132 685 T CB -0.501 68.386 68.868 0.031 0.000 0.878 685 T HN 0.387 nan 8.240 nan 0.000 0.479 686 F N -0.737 119.245 119.950 0.054 0.000 2.752 686 F HA 0.557 5.071 4.527 -0.021 0.000 0.310 686 F C 1.518 177.327 175.800 0.016 0.000 1.097 686 F CA -0.892 57.135 58.000 0.044 0.000 1.238 686 F CB -0.334 38.670 39.000 0.007 0.000 1.061 686 F HN -0.024 nan 8.300 nan 0.000 0.591 687 L N 0.399 121.451 121.223 -0.284 0.000 2.046 687 L HA -0.145 4.184 4.340 -0.018 0.000 0.208 687 L C 2.510 179.359 176.870 -0.034 0.000 1.077 687 L CA 1.039 55.759 54.840 -0.201 0.000 0.747 687 L CB -0.616 41.265 42.059 -0.295 0.000 0.896 687 L HN 0.291 nan 8.230 nan 0.000 0.432 688 L N -0.098 121.128 121.223 0.006 0.000 2.012 688 L HA -0.250 4.079 4.340 -0.018 0.000 0.210 688 L C 2.106 179.007 176.870 0.051 0.000 1.073 688 L CA 1.880 56.749 54.840 0.049 0.000 0.748 688 L CB -0.748 41.346 42.059 0.059 0.000 0.891 688 L HN 0.218 nan 8.230 nan 0.000 0.431 689 D N -0.534 119.925 120.400 0.097 0.000 2.116 689 D HA -0.244 4.386 4.640 -0.018 0.000 0.193 689 D C 2.122 178.452 176.300 0.050 0.000 0.998 689 D CA 1.432 55.488 54.000 0.093 0.000 0.836 689 D CB 0.013 40.922 40.800 0.181 0.000 0.951 689 D HN 0.384 nan 8.370 nan 0.000 0.449 690 E N 0.099 120.343 120.200 0.074 0.000 2.110 690 E HA -0.088 4.251 4.350 -0.018 0.000 0.193 690 E C 2.071 178.651 176.600 -0.034 0.000 0.988 690 E CA 1.468 57.885 56.400 0.029 0.000 0.804 690 E CB -0.642 29.097 29.700 0.065 0.000 0.745 690 E HN 0.284 nan 8.360 nan 0.000 0.458 691 G N 0.104 108.879 108.800 -0.041 0.000 2.394 691 G HA2 -0.185 3.764 3.960 -0.018 0.000 0.215 691 G HA3 -0.185 3.764 3.960 -0.018 0.000 0.215 691 G C 1.550 176.352 174.900 -0.162 0.000 1.165 691 G CA 0.677 45.724 45.100 -0.088 0.000 0.784 691 G HN 0.271 nan 8.290 nan 0.000 0.535 692 L N 0.675 121.814 121.223 -0.140 0.000 2.093 692 L HA -0.054 4.275 4.340 -0.018 0.000 0.208 692 L C 3.073 179.855 176.870 -0.146 0.000 1.085 692 L CA 1.237 55.964 54.840 -0.188 0.000 0.755 692 L CB -0.338 41.652 42.059 -0.115 0.000 0.904 692 L HN 0.347 nan 8.230 nan 0.000 0.435 693 S N -0.143 115.501 115.700 -0.093 0.000 2.383 693 S HA -0.133 4.326 4.470 -0.018 0.000 0.227 693 S C 1.815 176.363 174.600 -0.086 0.000 1.026 693 S CA 1.149 59.307 58.200 -0.071 0.000 0.981 693 S CB -0.172 63.005 63.200 -0.039 0.000 0.818 693 S HN 0.431 nan 8.310 nan 0.000 0.472 694 N N 1.074 119.712 118.700 -0.104 0.000 2.216 694 N HA 0.025 4.755 4.740 -0.018 0.000 0.183 694 N C 1.794 177.207 175.510 -0.162 0.000 1.017 694 N CA 1.052 54.032 53.050 -0.115 0.000 0.861 694 N CB -0.343 38.078 38.487 -0.109 0.000 0.986 694 N HN 0.398 nan 8.380 nan 0.000 0.428 695 L N 0.998 122.091 121.223 -0.216 0.000 2.079 695 L HA -0.152 4.177 4.340 -0.018 0.000 0.210 695 L C 2.524 179.326 176.870 -0.115 0.000 1.081 695 L CA 1.107 55.793 54.840 -0.257 0.000 0.752 695 L CB -0.422 41.419 42.059 -0.363 0.000 0.896 695 L HN 0.121 nan 8.230 nan 0.000 0.433 696 A N -0.401 122.363 122.820 -0.094 0.000 1.898 696 A HA -0.217 4.093 4.320 -0.018 0.000 0.216 696 A C 2.186 179.759 177.584 -0.019 0.000 1.181 696 A CA 1.565 53.579 52.037 -0.039 0.000 0.620 696 A CB -0.415 18.550 19.000 -0.059 0.000 0.819 696 A HN 0.330 nan 8.150 nan 0.000 0.442 697 E N 0.039 120.209 120.200 -0.051 0.000 2.118 697 E HA -0.132 4.207 4.350 -0.018 0.000 0.195 697 E C 1.834 178.397 176.600 -0.062 0.000 0.992 697 E CA 1.403 57.774 56.400 -0.048 0.000 0.804 697 E CB -0.495 29.172 29.700 -0.054 0.000 0.741 697 E HN 0.240 nan 8.360 nan 0.000 0.458 698 V N 0.722 120.573 119.914 -0.106 0.000 2.332 698 V HA -0.286 3.823 4.120 -0.018 0.000 0.248 698 V C 2.287 178.280 176.094 -0.169 0.000 1.055 698 V CA 2.167 64.368 62.300 -0.165 0.000 1.038 698 V CB -0.581 31.074 31.823 -0.281 0.000 0.651 698 V HN 0.455 nan 8.190 nan 0.000 0.450 699 H N 0.025 119.031 119.070 -0.107 0.000 2.357 699 H HA -0.074 4.471 4.556 -0.018 0.000 0.301 699 H C 2.392 177.685 175.328 -0.057 0.000 1.082 699 H CA 1.610 57.611 56.048 -0.078 0.000 1.342 699 H CB -0.172 29.542 29.762 -0.081 0.000 1.389 699 H HN 0.453 nan 8.280 nan 0.000 0.511 700 N N 0.972 119.707 118.700 0.058 0.000 2.061 700 N HA -0.144 4.585 4.740 -0.018 0.000 0.193 700 N C 2.193 177.702 175.510 -0.001 0.000 1.030 700 N CA 0.937 53.998 53.050 0.019 0.000 0.856 700 N CB -0.388 38.099 38.487 0.000 0.000 1.023 700 N HN 0.363 nan 8.380 nan 0.000 0.424 701 I N 1.318 121.875 120.570 -0.023 0.000 2.202 701 I HA -0.228 3.932 4.170 -0.018 0.000 0.242 701 I C 2.445 178.540 176.117 -0.037 0.000 1.091 701 I CA 0.982 62.262 61.300 -0.033 0.000 1.368 701 I CB -0.161 37.812 38.000 -0.046 0.000 1.058 701 I HN 0.113 nan 8.210 nan 0.000 0.410 702 Q N 0.382 120.146 119.800 -0.060 0.000 2.167 702 Q HA -0.178 4.151 4.340 -0.018 0.000 0.202 702 Q C 1.859 177.846 176.000 -0.021 0.000 0.970 702 Q CA 1.433 57.198 55.803 -0.063 0.000 0.855 702 Q CB -0.380 28.277 28.738 -0.135 0.000 0.911 702 Q HN 0.517 nan 8.270 nan 0.000 0.438 703 N N 0.582 119.286 118.700 0.006 0.000 2.270 703 N HA -0.153 4.576 4.740 -0.018 0.000 0.181 703 N C 1.538 177.051 175.510 0.006 0.000 1.016 703 N CA 0.999 54.060 53.050 0.018 0.000 0.870 703 N CB -0.006 38.502 38.487 0.035 0.000 0.979 703 N HN 0.191 nan 8.380 nan 0.000 0.431 704 E N 0.445 120.645 120.200 -0.000 0.000 2.106 704 E HA -0.045 4.295 4.350 -0.018 0.000 0.192 704 E C 1.615 178.212 176.600 -0.005 0.000 0.984 704 E CA 0.759 57.157 56.400 -0.003 0.000 0.806 704 E CB -0.249 29.448 29.700 -0.006 0.000 0.750 704 E HN 0.237 nan 8.360 nan 0.000 0.458 705 L N 0.658 121.876 121.223 -0.009 0.000 2.191 705 L HA -0.161 4.168 4.340 -0.018 0.000 0.212 705 L C 1.340 178.207 176.870 -0.006 0.000 1.103 705 L CA 1.627 56.461 54.840 -0.010 0.000 0.769 705 L CB -0.124 41.925 42.059 -0.017 0.000 0.908 705 L HN 0.132 nan 8.230 nan 0.000 0.438 706 D N -1.427 118.971 120.400 -0.003 0.000 2.289 706 D HA -0.109 4.521 4.640 -0.018 0.000 0.207 706 D C 1.771 178.072 176.300 0.002 0.000 0.966 706 D CA 0.792 54.793 54.000 0.001 0.000 0.868 706 D CB -0.334 40.469 40.800 0.005 0.000 0.943 706 D HN 0.412 nan 8.370 nan 0.000 0.514 707 N N 1.471 120.172 118.700 0.002 0.000 2.112 707 N HA -0.374 4.355 4.740 -0.018 0.000 0.200 707 N C 1.270 176.782 175.510 0.002 0.000 1.011 707 N CA 2.276 55.327 53.050 0.002 0.000 0.891 707 N CB -0.221 38.266 38.487 0.001 0.000 1.060 707 N HN 0.019 nan 8.380 nan 0.000 0.478 708 R N -1.586 118.915 120.500 0.002 0.000 1.408 708 R HA -0.345 3.984 4.340 -0.018 0.000 0.053 708 R C 1.701 178.003 176.300 0.003 0.000 0.951 708 R CA 2.569 58.671 56.100 0.003 0.000 1.922 708 R CB -1.959 28.343 30.300 0.003 0.000 0.338 708 R HN 0.567 nan 8.270 nan 0.000 0.706 709 A N 0.489 123.310 122.820 0.003 0.000 2.015 709 A HA 0.048 4.357 4.320 -0.018 0.000 0.219 709 A C 0.648 178.234 177.584 0.002 0.000 1.163 709 A CA 1.264 53.303 52.037 0.003 0.000 0.646 709 A CB -0.234 18.768 19.000 0.002 0.000 0.806 709 A HN 0.481 nan 8.150 nan 0.000 0.448 710 R N -2.746 117.755 120.500 0.002 0.000 1.168 710 R HA -0.162 4.168 4.340 -0.018 0.000 0.418 710 R C 0.943 177.243 176.300 0.001 0.000 1.353 710 R CA 0.226 56.327 56.100 0.001 0.000 1.272 710 R CB -1.043 29.258 30.300 0.002 0.000 3.598 710 R HN 0.564 nan 8.270 nan 0.000 0.493 711 G N 2.492 111.292 108.800 0.000 0.000 2.616 711 G HA2 0.122 4.071 3.960 -0.018 0.000 0.215 711 G HA3 0.122 4.071 3.960 -0.018 0.000 0.215 711 G C 0.161 175.061 174.900 -0.000 0.000 1.284 711 G CA 0.731 45.830 45.100 -0.000 0.000 0.823 711 G HN 0.869 nan 8.290 nan 0.000 0.569 712 A N 1.769 124.589 122.820 -0.000 0.000 2.269 712 A HA 0.695 5.004 4.320 -0.018 0.000 0.302 712 A C -2.074 175.509 177.584 -0.001 0.000 1.266 712 A CA -1.026 51.010 52.037 -0.001 0.000 0.894 712 A CB 0.948 19.948 19.000 -0.000 0.000 1.147 712 A HN 0.362 nan 8.150 nan 0.000 0.537 717 E N 2.399 122.598 120.200 -0.002 0.000 2.511 717 E HA -0.058 4.281 4.350 -0.018 0.000 0.196 717 E C -0.279 176.320 176.600 -0.001 0.000 1.066 717 E CA 1.204 57.602 56.400 -0.002 0.000 0.871 717 E CB 0.209 29.909 29.700 -0.001 0.000 0.863 717 E HN 0.667 nan 8.360 nan 0.000 0.520 718 E N 0.113 120.313 120.200 -0.000 0.000 3.484 718 E HA -0.339 4.001 4.350 -0.018 0.000 0.416 718 E C 0.177 176.778 176.600 0.002 0.000 1.593 718 E CA 1.946 58.346 56.400 0.001 0.000 1.570 718 E CB -0.726 28.975 29.700 0.001 0.000 1.551 718 E HN 0.214 nan 8.360 nan 0.000 0.437 719 E N 0.923 121.124 120.200 0.002 0.000 2.191 719 E HA 0.109 4.448 4.350 -0.018 0.000 0.278 719 E C 0.025 176.625 176.600 0.000 0.000 0.972 719 E CA -0.004 56.398 56.400 0.002 0.000 0.804 719 E CB 1.257 30.959 29.700 0.004 0.000 1.110 719 E HN 0.430 nan 8.360 nan 0.000 0.394 720 D N 3.491 123.892 120.400 0.000 0.000 2.190 720 D HA -0.219 4.410 4.640 -0.018 0.000 0.200 720 D C 1.169 177.467 176.300 -0.004 0.000 0.992 720 D CA 1.491 55.490 54.000 -0.002 0.000 0.854 720 D CB 0.393 41.193 40.800 0.000 0.000 0.936 720 D HN 0.618 nan 8.370 nan 0.000 0.462 721 K N 0.167 120.566 120.400 -0.002 0.000 2.305 721 K HA 0.009 4.318 4.320 -0.018 0.000 0.199 721 K C 1.941 178.539 176.600 -0.003 0.000 1.047 721 K CA 0.501 56.786 56.287 -0.003 0.000 0.976 721 K CB 0.064 32.563 32.500 -0.001 0.000 0.765 721 K HN -0.075 nan 8.250 nan 0.000 0.474 722 E N 1.354 121.553 120.200 -0.001 0.000 2.152 722 E HA -0.049 4.290 4.350 -0.018 0.000 0.192 722 E C 1.911 178.509 176.600 -0.004 0.000 0.983 722 E CA 0.569 56.969 56.400 -0.000 0.000 0.818 722 E CB 0.071 29.772 29.700 0.003 0.000 0.758 722 E HN 0.401 nan 8.360 nan 0.000 0.467 723 L N 0.515 121.733 121.223 -0.007 0.000 2.005 723 L HA -0.187 4.142 4.340 -0.018 0.000 0.207 723 L C 2.872 179.732 176.870 -0.017 0.000 1.072 723 L CA 1.225 56.058 54.840 -0.013 0.000 0.744 723 L CB -0.489 41.562 42.059 -0.013 0.000 0.895 723 L HN 0.175 nan 8.230 nan 0.000 0.433 724 Q N -0.550 119.240 119.800 -0.016 0.000 2.181 724 Q HA -0.210 4.119 4.340 -0.018 0.000 0.205 724 Q C 1.988 177.975 176.000 -0.021 0.000 0.980 724 Q CA 2.066 57.857 55.803 -0.019 0.000 0.862 724 Q CB 0.059 28.788 28.738 -0.016 0.000 0.905 724 Q HN 0.476 nan 8.270 nan 0.000 0.429 725 T N -0.156 114.388 114.554 -0.016 0.000 2.732 725 T HA -0.101 4.239 4.350 -0.018 0.000 0.261 725 T C 1.742 176.432 174.700 -0.018 0.000 1.040 725 T CA 1.232 63.322 62.100 -0.017 0.000 1.145 725 T CB -0.124 68.740 68.868 -0.007 0.000 0.866 725 T HN 0.216 nan 8.240 nan 0.000 0.427 726 R N 0.550 121.042 120.500 -0.013 0.000 2.105 726 R HA 0.042 4.371 4.340 -0.018 0.000 0.239 726 R C 2.320 178.604 176.300 -0.026 0.000 1.135 726 R CA 0.949 57.041 56.100 -0.013 0.000 0.967 726 R CB -0.633 29.660 30.300 -0.011 0.000 0.861 726 R HN 0.331 nan 8.270 nan 0.000 0.442 727 L N -0.325 120.879 121.223 -0.032 0.000 2.017 727 L HA -0.158 4.172 4.340 -0.018 0.000 0.208 727 L C 2.178 179.025 176.870 -0.038 0.000 1.073 727 L CA 1.924 56.738 54.840 -0.044 0.000 0.745 727 L CB -0.418 41.615 42.059 -0.044 0.000 0.894 727 L HN 0.267 nan 8.230 nan 0.000 0.432 728 A N -1.343 121.459 122.820 -0.030 0.000 1.902 728 A HA -0.244 4.065 4.320 -0.018 0.000 0.217 728 A C 2.491 180.057 177.584 -0.031 0.000 1.181 728 A CA 1.940 53.961 52.037 -0.028 0.000 0.623 728 A CB -1.077 17.899 19.000 -0.040 0.000 0.818 728 A HN 0.536 nan 8.150 nan 0.000 0.443 729 S N -0.457 115.225 115.700 -0.030 0.000 2.382 729 S HA -0.047 4.412 4.470 -0.018 0.000 0.228 729 S C 2.097 176.689 174.600 -0.014 0.000 1.027 729 S CA 1.582 59.772 58.200 -0.017 0.000 0.991 729 S CB -0.425 62.776 63.200 0.002 0.000 0.823 729 S HN 0.807 nan 8.310 nan 0.000 0.469 730 A N 0.395 123.196 122.820 -0.032 0.000 1.968 730 A HA 0.068 4.377 4.320 -0.018 0.000 0.217 730 A C 2.371 179.913 177.584 -0.070 0.000 1.169 730 A CA 1.679 53.683 52.037 -0.055 0.000 0.638 730 A CB -0.848 18.107 19.000 -0.075 0.000 0.812 730 A HN 0.554 nan 8.150 nan 0.000 0.446 731 S N -0.589 115.083 115.700 -0.047 0.000 2.355 731 S HA -0.139 4.321 4.470 -0.018 0.000 0.222 731 S C 2.079 176.714 174.600 0.058 0.000 1.031 731 S CA 1.376 59.585 58.200 0.014 0.000 0.993 731 S CB -0.284 62.983 63.200 0.112 0.000 0.859 731 S HN 0.620 nan 8.310 nan 0.000 0.453 732 R N 0.840 121.350 120.500 0.016 0.000 2.083 732 R HA -0.137 4.192 4.340 -0.018 0.000 0.237 732 R C 2.591 178.890 176.300 -0.003 0.000 1.137 732 R CA 1.595 57.696 56.100 0.000 0.000 0.951 732 R CB -0.272 30.014 30.300 -0.023 0.000 0.851 732 R HN 0.225 nan 8.270 nan 0.000 0.434 733 Q N 0.001 119.797 119.800 -0.006 0.000 2.119 733 Q HA -0.054 4.275 4.340 -0.018 0.000 0.201 733 Q C 1.744 177.717 176.000 -0.045 0.000 0.972 733 Q CA 1.921 57.713 55.803 -0.019 0.000 0.847 733 Q CB -0.218 28.510 28.738 -0.016 0.000 0.903 733 Q HN 0.389 nan 8.270 nan 0.000 0.433 734 A N 0.726 123.515 122.820 -0.052 0.000 1.865 734 A HA -0.247 4.062 4.320 -0.018 0.000 0.217 734 A C 2.094 179.677 177.584 -0.002 0.000 1.191 734 A CA 1.928 53.924 52.037 -0.069 0.000 0.623 734 A CB -0.712 18.194 19.000 -0.157 0.000 0.826 734 A HN 0.419 nan 8.150 nan 0.000 0.444 735 K N -0.353 120.079 120.400 0.052 0.000 2.063 735 K HA -0.165 4.144 4.320 -0.018 0.000 0.208 735 K C 2.407 178.964 176.600 -0.072 0.000 1.048 735 K CA 1.752 58.063 56.287 0.040 0.000 0.928 735 K CB -0.221 32.300 32.500 0.036 0.000 0.713 735 K HN 0.495 nan 8.250 nan 0.000 0.442 736 S N -0.290 115.356 115.700 -0.091 0.000 2.355 736 S HA -0.101 4.358 4.470 -0.018 0.000 0.222 736 S C 1.945 176.485 174.600 -0.101 0.000 1.031 736 S CA 1.774 59.892 58.200 -0.136 0.000 0.993 736 S CB -0.296 62.864 63.200 -0.067 0.000 0.859 736 S HN 0.379 nan 8.310 nan 0.000 0.453 737 S N 0.710 116.354 115.700 -0.093 0.000 2.348 737 S HA -0.126 4.333 4.470 -0.018 0.000 0.221 737 S C 2.159 176.742 174.600 -0.029 0.000 1.033 737 S CA 1.407 59.545 58.200 -0.105 0.000 1.010 737 S CB -0.999 62.135 63.200 -0.111 0.000 0.891 737 S HN 0.725 nan 8.310 nan 0.000 0.442 738 C N 1.502 120.814 119.300 0.021 0.000 2.432 738 C HA 0.000 4.449 4.460 -0.018 0.000 0.277 738 C C 2.996 178.045 174.990 0.098 0.000 1.249 738 C CA 0.530 59.611 59.018 0.105 0.000 1.725 738 C CB -1.815 26.047 27.740 0.203 0.000 2.028 738 C HN 0.742 nan 8.230 nan 0.000 0.477 739 G N 0.396 109.229 108.800 0.055 0.000 2.491 739 G HA2 -0.256 3.693 3.960 -0.018 0.000 0.218 739 G HA3 -0.256 3.693 3.960 -0.018 0.000 0.218 739 G C 1.505 176.544 174.900 0.232 0.000 1.180 739 G CA 1.209 46.362 45.100 0.088 0.000 0.774 739 G HN 0.451 nan 8.290 nan 0.000 0.562 740 L N 1.438 122.768 121.223 0.178 0.000 2.083 740 L HA 0.157 4.486 4.340 -0.018 0.000 0.209 740 L C 3.057 180.016 176.870 0.148 0.000 1.083 740 L CA 2.056 57.051 54.840 0.258 0.000 0.752 740 L CB -0.784 41.398 42.059 0.204 0.000 0.899 740 L HN 0.258 nan 8.230 nan 0.000 0.433 741 A N -1.067 121.801 122.820 0.080 0.000 1.933 741 A HA -0.232 4.078 4.320 -0.018 0.000 0.218 741 A C 2.101 179.725 177.584 0.066 0.000 1.175 741 A CA 1.834 53.901 52.037 0.050 0.000 0.628 741 A CB -0.792 18.227 19.000 0.031 0.000 0.814 741 A HN 0.547 nan 8.150 nan 0.000 0.444 742 D N -0.198 120.253 120.400 0.085 0.000 2.087 742 D HA -0.152 4.477 4.640 -0.018 0.000 0.192 742 D C 1.788 178.124 176.300 0.060 0.000 0.993 742 D CA 1.342 55.384 54.000 0.070 0.000 0.828 742 D CB -0.080 40.776 40.800 0.093 0.000 0.968 742 D HN 0.144 nan 8.370 nan 0.000 0.448 743 K N 0.781 121.234 120.400 0.090 0.000 2.063 743 K HA -0.035 4.274 4.320 -0.018 0.000 0.208 743 K C 2.300 178.892 176.600 -0.014 0.000 1.048 743 K CA 0.504 56.806 56.287 0.025 0.000 0.928 743 K CB -0.716 31.795 32.500 0.018 0.000 0.713 743 K HN 0.018 nan 8.250 nan 0.000 0.442 744 S N 1.110 116.828 115.700 0.031 0.000 2.355 744 S HA -0.133 4.326 4.470 -0.018 0.000 0.222 744 S C 1.948 176.568 174.600 0.034 0.000 1.031 744 S CA 1.304 59.503 58.200 -0.000 0.000 0.993 744 S CB -0.180 63.063 63.200 0.071 0.000 0.859 744 S HN 0.182 nan 8.310 nan 0.000 0.453 745 M N 1.971 121.617 119.600 0.077 0.000 2.117 745 M HA -0.019 4.450 4.480 -0.018 0.000 0.262 745 M C 1.817 178.123 176.300 0.011 0.000 1.065 745 M CA 1.495 56.845 55.300 0.084 0.000 1.114 745 M CB -0.454 32.163 32.600 0.029 0.000 1.361 745 M HN 0.021 nan 8.290 nan 0.000 0.408 746 K N 0.064 120.447 120.400 -0.030 0.000 2.063 746 K HA -0.096 4.213 4.320 -0.018 0.000 0.208 746 K C 1.739 178.226 176.600 -0.188 0.000 1.048 746 K CA 1.742 57.990 56.287 -0.065 0.000 0.928 746 K CB -0.735 31.744 32.500 -0.036 0.000 0.713 746 K HN 0.485 nan 8.250 nan 0.000 0.442 747 L N -0.735 120.308 121.223 -0.300 0.000 2.056 747 L HA -0.122 4.207 4.340 -0.018 0.000 0.207 747 L C 2.155 178.632 176.870 -0.655 0.000 1.078 747 L CA 1.079 55.534 54.840 -0.642 0.000 0.749 747 L CB -0.452 41.216 42.059 -0.652 0.000 0.901 747 L HN 0.089 nan 8.230 nan 0.000 0.433 748 F N 0.542 120.271 119.950 -0.370 0.000 2.120 748 F HA -0.270 4.245 4.527 -0.020 0.000 0.300 748 F C 2.664 178.225 175.800 -0.398 0.000 1.095 748 F CA 1.830 59.586 58.000 -0.407 0.000 1.249 748 F CB -0.451 38.314 39.000 -0.391 0.000 0.995 748 F HN 0.183 nan 8.300 nan 0.000 0.480 749 E N 0.920 121.059 120.200 -0.102 0.000 2.023 749 E HA -0.234 4.106 4.350 -0.018 0.000 0.196 749 E C 2.325 178.889 176.600 -0.061 0.000 1.003 749 E CA 1.984 58.334 56.400 -0.082 0.000 0.809 749 E CB -0.333 29.349 29.700 -0.029 0.000 0.755 749 E HN 0.533 nan 8.360 nan 0.000 0.449 750 I N -1.355 119.148 120.570 -0.110 0.000 2.439 750 I HA -0.183 3.976 4.170 -0.018 0.000 0.251 750 I C 1.726 177.894 176.117 0.086 0.000 1.139 750 I CA 0.961 62.258 61.300 -0.004 0.000 1.438 750 I CB -0.648 37.355 38.000 0.005 0.000 1.085 750 I HN 0.051 nan 8.210 nan 0.000 0.427 751 Y N 2.801 123.035 120.300 -0.109 0.000 2.184 751 Y HA -0.136 4.404 4.550 -0.018 0.000 0.290 751 Y C 3.394 179.426 175.900 0.220 0.000 1.129 751 Y CA 1.042 59.174 58.100 0.053 0.000 1.144 751 Y CB -1.354 37.252 38.460 0.242 0.000 0.995 751 Y HN 0.410 nan 8.280 nan 0.000 0.513 752 S N 0.016 115.838 115.700 0.203 0.000 2.419 752 S HA -0.209 4.250 4.470 -0.018 0.000 0.233 752 S C 2.019 176.678 174.600 0.098 0.000 1.016 752 S CA 1.359 59.585 58.200 0.043 0.000 0.974 752 S CB -0.302 62.672 63.200 -0.378 0.000 0.786 752 S HN 0.187 nan 8.310 nan 0.000 0.492 753 K N 1.882 122.346 120.400 0.106 0.000 2.063 753 K HA -0.114 4.195 4.320 -0.018 0.000 0.208 753 K C 1.347 178.041 176.600 0.157 0.000 1.048 753 K CA 2.146 58.506 56.287 0.122 0.000 0.928 753 K CB -0.545 32.046 32.500 0.153 0.000 0.713 753 K HN 0.464 nan 8.250 nan 0.000 0.442 754 D N -0.811 119.725 120.400 0.227 0.000 2.394 754 D HA 0.097 4.726 4.640 -0.018 0.000 0.226 754 D C 0.667 177.059 176.300 0.154 0.000 0.990 754 D CA 0.792 54.914 54.000 0.203 0.000 0.902 754 D CB 0.416 41.387 40.800 0.285 0.000 1.038 754 D HN 0.436 nan 8.370 nan 0.000 0.499 755 I N -1.366 119.322 120.570 0.197 0.000 2.976 755 I HA 0.291 4.450 4.170 -0.018 0.000 0.328 755 I C -2.031 174.215 176.117 0.216 0.000 1.396 755 I CA -1.639 59.736 61.300 0.124 0.000 0.869 755 I CB 1.391 39.389 38.000 -0.003 0.000 2.156 755 I HN -0.329 nan 8.210 nan 0.000 0.595 756 P HA -0.301 nan 4.420 nan 0.000 0.217 756 P C 1.664 179.080 177.300 0.193 0.000 1.151 756 P CA 2.272 65.502 63.100 0.217 0.000 0.849 756 P CB 0.324 32.072 31.700 0.080 0.000 0.787 757 A N 0.571 123.441 122.820 0.083 0.000 1.972 757 A HA -0.041 4.268 4.320 -0.018 0.000 0.219 757 A C 2.471 180.042 177.584 -0.020 0.000 1.169 757 A CA 1.958 54.012 52.037 0.028 0.000 0.635 757 A CB -1.475 17.522 19.000 -0.005 0.000 0.810 757 A HN 0.252 nan 8.150 nan 0.000 0.446 758 A N -1.742 121.010 122.820 -0.113 0.000 2.125 758 A HA 0.076 4.385 4.320 -0.018 0.000 0.219 758 A C 1.425 178.798 177.584 -0.352 0.000 1.156 758 A CA 1.112 52.987 52.037 -0.270 0.000 0.671 758 A CB -0.627 18.120 19.000 -0.422 0.000 0.794 758 A HN 0.476 nan 8.150 nan 0.000 0.459 759 F N -1.409 118.580 119.950 0.065 0.000 2.695 759 F HA 0.164 4.681 4.527 -0.016 0.000 0.303 759 F C 1.521 177.324 175.800 0.005 0.000 1.091 759 F CA 0.502 58.530 58.000 0.046 0.000 1.300 759 F CB 0.824 39.831 39.000 0.012 0.000 1.071 759 F HN 0.121 nan 8.300 nan 0.000 0.578 760 V N -3.443 116.540 119.914 0.115 0.000 3.346 760 V HA 0.248 4.357 4.120 -0.018 0.000 0.309 760 V C 0.761 176.865 176.094 0.018 0.000 1.457 760 V CA 0.114 62.459 62.300 0.075 0.000 1.069 760 V CB -0.947 30.934 31.823 0.096 0.000 0.944 760 V HN 0.159 nan 8.190 nan 0.000 0.449 761 T N -1.262 113.302 114.554 0.016 0.000 2.856 761 T HA 0.309 4.648 4.350 -0.018 0.000 0.306 761 T C -1.214 173.496 174.700 0.018 0.000 1.062 761 T CA -0.345 61.764 62.100 0.015 0.000 1.083 761 T CB 0.782 69.658 68.868 0.013 0.000 0.984 761 T HN 0.203 nan 8.240 nan 0.000 0.542 762 P HA -0.103 nan 4.420 nan 0.000 0.218 762 P C 1.420 178.805 177.300 0.143 0.000 1.148 762 P CA 1.216 64.389 63.100 0.123 0.000 0.822 762 P CB -0.066 31.742 31.700 0.181 0.000 0.784 763 E N -0.972 119.287 120.200 0.098 0.000 2.418 763 E HA -0.080 4.259 4.350 -0.018 0.000 0.197 763 E C 1.401 178.051 176.600 0.084 0.000 1.026 763 E CA 0.739 57.197 56.400 0.096 0.000 0.862 763 E CB -0.359 29.380 29.700 0.065 0.000 0.799 763 E HN 0.163 nan 8.360 nan 0.000 0.518 764 I N 0.330 120.938 120.570 0.063 0.000 3.445 764 I HA -0.031 4.128 4.170 -0.018 0.000 0.288 764 I C 2.281 178.426 176.117 0.047 0.000 1.198 764 I CA 0.216 61.557 61.300 0.069 0.000 1.417 764 I CB -0.158 37.894 38.000 0.087 0.000 1.205 764 I HN 0.102 nan 8.210 nan 0.000 0.448 765 V N 1.078 120.966 119.914 -0.043 0.000 2.358 765 V HA -0.298 3.811 4.120 -0.018 0.000 0.246 765 V C 2.435 178.402 176.094 -0.211 0.000 1.047 765 V CA 2.049 64.268 62.300 -0.135 0.000 1.035 765 V CB -0.356 31.312 31.823 -0.258 0.000 0.658 765 V HN 0.272 nan 8.190 nan 0.000 0.452 766 Y N 0.266 120.610 120.300 0.074 0.000 2.184 766 Y HA -0.046 4.492 4.550 -0.020 0.000 0.290 766 Y C 2.715 178.637 175.900 0.037 0.000 1.129 766 Y CA 1.232 59.357 58.100 0.042 0.000 1.144 766 Y CB -0.718 37.754 38.460 0.021 0.000 0.995 766 Y HN 0.094 nan 8.280 nan 0.000 0.513 767 R N 0.144 120.745 120.500 0.169 0.000 2.103 767 R HA -0.176 4.153 4.340 -0.018 0.000 0.242 767 R C 2.234 178.562 176.300 0.047 0.000 1.142 767 R CA 1.150 57.305 56.100 0.092 0.000 0.960 767 R CB -1.305 29.040 30.300 0.074 0.000 0.858 767 R HN 0.353 nan 8.270 nan 0.000 0.439 768 L N 0.839 122.083 121.223 0.034 0.000 1.994 768 L HA -0.072 4.257 4.340 -0.018 0.000 0.208 768 L C 2.338 179.220 176.870 0.019 0.000 1.071 768 L CA 2.107 56.930 54.840 -0.029 0.000 0.745 768 L CB -0.942 41.114 42.059 -0.006 0.000 0.892 768 L HN 0.184 nan 8.230 nan 0.000 0.431 769 A N -1.221 121.654 122.820 0.092 0.000 1.892 769 A HA -0.308 4.002 4.320 -0.018 0.000 0.218 769 A C 2.567 180.224 177.584 0.122 0.000 1.188 769 A CA 2.515 54.611 52.037 0.098 0.000 0.631 769 A CB -1.300 17.717 19.000 0.029 0.000 0.822 769 A HN 0.631 nan 8.150 nan 0.000 0.447 770 S N -1.405 114.357 115.700 0.103 0.000 2.406 770 S HA -0.127 4.332 4.470 -0.018 0.000 0.228 770 S C 2.050 176.712 174.600 0.103 0.000 1.020 770 S CA 1.598 59.864 58.200 0.109 0.000 0.965 770 S CB -0.365 62.884 63.200 0.082 0.000 0.798 770 S HN 0.495 nan 8.310 nan 0.000 0.488 771 M N 1.133 120.762 119.600 0.048 0.000 2.156 771 M HA 0.067 4.536 4.480 -0.018 0.000 0.264 771 M C 1.932 178.257 176.300 0.042 0.000 1.067 771 M CA 1.355 56.674 55.300 0.032 0.000 1.131 771 M CB -0.967 31.601 32.600 -0.053 0.000 1.368 771 M HN 0.436 nan 8.290 nan 0.000 0.416 772 L N 0.603 121.812 121.223 -0.024 0.000 1.989 772 L HA -0.285 4.044 4.340 -0.018 0.000 0.211 772 L C 2.160 179.128 176.870 0.163 0.000 1.071 772 L CA 1.405 56.217 54.840 -0.047 0.000 0.749 772 L CB -1.278 40.610 42.059 -0.286 0.000 0.890 772 L HN 0.307 nan 8.230 nan 0.000 0.431 773 N N -0.591 118.271 118.700 0.269 0.000 2.120 773 N HA -0.241 4.488 4.740 -0.018 0.000 0.188 773 N C 1.728 177.351 175.510 0.189 0.000 1.024 773 N CA 1.297 54.514 53.050 0.278 0.000 0.852 773 N CB -0.588 38.078 38.487 0.299 0.000 1.003 773 N HN 0.307 nan 8.380 nan 0.000 0.424 774 Y N 1.927 122.266 120.300 0.065 0.000 2.145 774 Y HA -0.080 4.460 4.550 -0.016 0.000 0.286 774 Y C 1.981 177.894 175.900 0.021 0.000 1.145 774 Y CA 1.486 59.608 58.100 0.037 0.000 1.148 774 Y CB -0.386 38.095 38.460 0.034 0.000 0.981 774 Y HN 0.106 nan 8.280 nan 0.000 0.507 775 N N 0.153 118.908 118.700 0.091 0.000 2.120 775 N HA -0.184 4.545 4.740 -0.018 0.000 0.188 775 N C 1.856 177.333 175.510 -0.055 0.000 1.024 775 N CA 1.401 54.443 53.050 -0.013 0.000 0.852 775 N CB -0.422 38.080 38.487 0.026 0.000 1.003 775 N HN 0.356 nan 8.380 nan 0.000 0.424 776 L N 2.254 123.470 121.223 -0.012 0.000 2.079 776 L HA -0.135 4.194 4.340 -0.018 0.000 0.210 776 L C 2.030 178.826 176.870 -0.123 0.000 1.081 776 L CA 1.653 56.453 54.840 -0.066 0.000 0.752 776 L CB -0.509 41.499 42.059 -0.085 0.000 0.896 776 L HN 0.119 nan 8.230 nan 0.000 0.433 777 E N -1.063 119.058 120.200 -0.131 0.000 2.058 777 E HA -0.203 4.136 4.350 -0.018 0.000 0.194 777 E C 2.115 178.612 176.600 -0.172 0.000 0.997 777 E CA 1.536 57.842 56.400 -0.157 0.000 0.801 777 E CB -0.074 29.523 29.700 -0.171 0.000 0.746 777 E HN 0.547 nan 8.360 nan 0.000 0.450 778 S N 0.891 116.459 115.700 -0.219 0.000 2.356 778 S HA -0.134 4.325 4.470 -0.018 0.000 0.223 778 S C 2.038 176.587 174.600 -0.086 0.000 1.032 778 S CA 0.844 58.944 58.200 -0.166 0.000 1.005 778 S CB -0.215 62.885 63.200 -0.167 0.000 0.867 778 S HN 0.177 nan 8.310 nan 0.000 0.449 779 L N 1.355 122.531 121.223 -0.077 0.000 2.141 779 L HA -0.031 4.298 4.340 -0.018 0.000 0.209 779 L C 2.067 178.902 176.870 -0.059 0.000 1.094 779 L CA 0.885 55.694 54.840 -0.052 0.000 0.763 779 L CB -0.421 41.606 42.059 -0.054 0.000 0.908 779 L HN 0.353 nan 8.230 nan 0.000 0.437 780 V N -4.189 115.677 119.914 -0.081 0.000 3.542 780 V HA 0.462 4.572 4.120 -0.018 0.000 0.296 780 V C 0.768 176.822 176.094 -0.067 0.000 1.364 780 V CA 0.146 62.401 62.300 -0.077 0.000 1.118 780 V CB -0.445 31.317 31.823 -0.103 0.000 0.972 780 V HN 0.161 nan 8.190 nan 0.000 0.430 781 G N 0.404 109.164 108.800 -0.066 0.000 3.209 781 G HA2 0.599 4.549 3.960 -0.018 0.000 0.236 781 G HA3 0.599 4.549 3.960 -0.018 0.000 0.236 781 G C -2.048 172.826 174.900 -0.044 0.000 1.329 781 G CA -0.591 44.474 45.100 -0.059 0.000 1.015 781 G HN 0.118 nan 8.290 nan 0.000 0.571 782 P HA 0.040 nan 4.420 nan 0.000 0.221 782 P C 1.378 178.658 177.300 -0.034 0.000 1.150 782 P CA 0.966 64.046 63.100 -0.034 0.000 0.800 782 P CB 0.247 31.925 31.700 -0.036 0.000 0.787 783 K N -0.589 119.784 120.400 -0.045 0.000 2.044 783 K HA -0.135 4.174 4.320 -0.018 0.000 0.210 783 K C 2.086 178.680 176.600 -0.010 0.000 1.049 783 K CA 1.832 58.093 56.287 -0.044 0.000 0.927 783 K CB -0.774 31.682 32.500 -0.072 0.000 0.713 783 K HN 0.172 nan 8.250 nan 0.000 0.443 784 C N -0.348 118.965 119.300 0.022 0.000 2.504 784 C HA 0.092 4.541 4.460 -0.018 0.000 0.279 784 C C 2.704 177.747 174.990 0.088 0.000 1.358 784 C CA 0.268 59.355 59.018 0.114 0.000 1.747 784 C CB -0.873 26.953 27.740 0.144 0.000 2.037 784 C HN 0.695 nan 8.230 nan 0.000 0.503 785 G N 0.593 109.409 108.800 0.027 0.000 2.440 785 G HA2 -0.205 3.744 3.960 -0.018 0.000 0.218 785 G HA3 -0.205 3.744 3.960 -0.018 0.000 0.218 785 G C 1.396 176.300 174.900 0.007 0.000 1.154 785 G CA 0.638 45.746 45.100 0.013 0.000 0.767 785 G HN 0.675 nan 8.290 nan 0.000 0.552 786 E N -0.682 119.511 120.200 -0.012 0.000 2.502 786 E HA 0.160 4.500 4.350 -0.018 0.000 0.194 786 E C 0.003 176.571 176.600 -0.053 0.000 1.062 786 E CA -0.577 55.802 56.400 -0.036 0.000 0.867 786 E CB 0.218 29.888 29.700 -0.050 0.000 0.888 786 E HN 0.232 nan 8.360 nan 0.000 0.510 787 L N 1.699 122.908 121.223 -0.023 0.000 2.313 787 L HA 0.198 4.527 4.340 -0.018 0.000 0.282 787 L C -0.562 176.309 176.870 0.002 0.000 1.092 787 L CA 0.249 55.061 54.840 -0.047 0.000 0.831 787 L CB 0.516 42.541 42.059 -0.057 0.000 1.159 787 L HN -0.278 nan 8.230 nan 0.000 0.442 788 K N 4.283 124.654 120.400 -0.048 0.000 2.668 788 K HA 0.578 4.887 4.320 -0.018 0.000 0.246 788 K C -1.417 175.241 176.600 0.096 0.000 0.976 788 K CA -0.579 55.725 56.287 0.028 0.000 0.902 788 K CB 1.162 33.667 32.500 0.008 0.000 1.172 788 K HN 0.399 nan 8.250 nan 0.000 0.452 789 V N 0.296 120.308 119.914 0.163 0.000 2.975 789 V HA 0.632 4.741 4.120 -0.018 0.000 0.318 789 V C -0.233 175.977 176.094 0.193 0.000 1.077 789 V CA -1.101 61.337 62.300 0.230 0.000 1.000 789 V CB 1.561 33.443 31.823 0.098 0.000 1.066 789 V HN 0.623 nan 8.190 nan 0.000 0.452 790 K N 1.552 122.054 120.400 0.170 0.000 2.322 790 K HA 0.266 4.575 4.320 -0.018 0.000 0.283 790 K C 0.021 176.721 176.600 0.167 0.000 1.042 790 K CA 0.541 56.909 56.287 0.135 0.000 0.958 790 K CB 0.097 32.650 32.500 0.088 0.000 0.984 790 K HN 1.008 nan 8.250 nan 0.000 0.473 791 D N 4.454 124.922 120.400 0.113 0.000 3.038 791 D HA -0.110 4.519 4.640 -0.018 0.000 0.229 791 D C -1.759 174.611 176.300 0.116 0.000 1.182 791 D CA 0.418 54.460 54.000 0.070 0.000 0.852 791 D CB 0.244 41.039 40.800 -0.009 0.000 0.932 791 D HN 0.500 nan 8.370 nan 0.000 0.406 792 P HA -0.125 nan 4.420 nan 0.000 0.233 792 P C 1.291 178.744 177.300 0.256 0.000 1.167 792 P CA 0.496 63.833 63.100 0.395 0.000 0.770 792 P CB 0.341 32.331 31.700 0.482 0.000 0.837 793 Q N 0.184 120.031 119.800 0.078 0.000 2.226 793 Q HA -0.061 4.268 4.340 -0.018 0.000 0.204 793 Q C 2.182 178.119 176.000 -0.104 0.000 0.975 793 Q CA 1.215 57.020 55.803 0.004 0.000 0.866 793 Q CB -0.900 27.826 28.738 -0.019 0.000 0.915 793 Q HN 0.312 nan 8.270 nan 0.000 0.440 794 S N 0.467 115.988 115.700 -0.299 0.000 2.383 794 S HA -0.155 4.304 4.470 -0.018 0.000 0.229 794 S C 0.832 175.102 174.600 -0.550 0.000 1.030 794 S CA 1.200 59.070 58.200 -0.550 0.000 1.002 794 S CB -0.286 62.337 63.200 -0.962 0.000 0.829 794 S HN 0.458 nan 8.310 nan 0.000 0.467 795 Y N 1.122 121.439 120.300 0.030 0.000 2.756 795 Y HA 0.448 4.987 4.550 -0.018 0.000 0.300 795 Y C 0.947 176.889 175.900 0.070 0.000 1.113 795 Y CA -1.016 57.098 58.100 0.023 0.000 1.291 795 Y CB -0.947 37.516 38.460 0.004 0.000 1.175 795 Y HN -0.047 nan 8.280 nan 0.000 0.534 796 S N 0.808 116.580 115.700 0.120 0.000 3.405 796 S HA -0.294 4.165 4.470 -0.018 0.000 0.378 796 S C -0.276 174.448 174.600 0.208 0.000 1.012 796 S CA 0.558 58.831 58.200 0.122 0.000 1.144 796 S CB -1.591 61.657 63.200 0.078 0.000 0.903 796 S HN 0.514 nan 8.310 nan 0.000 0.470 797 F N 3.145 123.139 119.950 0.074 0.000 2.309 797 F HA 0.378 4.894 4.527 -0.019 0.000 0.366 797 F C 0.098 175.925 175.800 0.044 0.000 1.104 797 F CA -1.302 56.738 58.000 0.067 0.000 1.179 797 F CB 0.192 39.252 39.000 0.100 0.000 1.437 797 F HN 0.084 nan 8.300 nan 0.000 0.528 798 N N 8.447 126.933 118.700 -0.356 0.000 2.898 798 N HA 0.162 4.891 4.740 -0.018 0.000 0.245 798 N C -2.168 173.055 175.510 -0.478 0.000 1.185 798 N CA -1.277 51.548 53.050 -0.375 0.000 0.879 798 N CB 1.177 39.567 38.487 -0.163 0.000 1.157 798 N HN 0.333 nan 8.380 nan 0.000 0.503 799 P HA -0.142 nan 4.420 nan 0.000 0.218 799 P C 1.132 178.284 177.300 -0.248 0.000 1.148 799 P CA 1.171 63.969 63.100 -0.504 0.000 0.822 799 P CB 0.598 32.005 31.700 -0.487 0.000 0.784 800 K N -0.307 119.961 120.400 -0.220 0.000 2.025 800 K HA -0.114 4.195 4.320 -0.018 0.000 0.207 800 K C 1.765 178.294 176.600 -0.117 0.000 1.049 800 K CA 1.481 57.684 56.287 -0.139 0.000 0.933 800 K CB -0.421 32.008 32.500 -0.119 0.000 0.714 800 K HN 0.091 nan 8.250 nan 0.000 0.438 801 D N 1.037 121.364 120.400 -0.120 0.000 2.144 801 D HA -0.135 4.495 4.640 -0.018 0.000 0.200 801 D C 1.843 178.102 176.300 -0.069 0.000 0.978 801 D CA 0.657 54.603 54.000 -0.089 0.000 0.833 801 D CB -0.144 40.613 40.800 -0.072 0.000 0.961 801 D HN 0.009 nan 8.370 nan 0.000 0.470 802 L N 0.547 121.722 121.223 -0.080 0.000 2.083 802 L HA -0.104 4.226 4.340 -0.018 0.000 0.209 802 L C 2.025 178.876 176.870 -0.033 0.000 1.083 802 L CA 1.108 55.919 54.840 -0.049 0.000 0.752 802 L CB -0.396 41.630 42.059 -0.055 0.000 0.899 802 L HN 0.001 nan 8.230 nan 0.000 0.433 803 L N -0.593 120.603 121.223 -0.045 0.000 2.109 803 L HA -0.130 4.199 4.340 -0.018 0.000 0.207 803 L C 2.455 179.340 176.870 0.025 0.000 1.086 803 L CA 1.790 56.621 54.840 -0.014 0.000 0.760 803 L CB -0.819 41.219 42.059 -0.034 0.000 0.910 803 L HN 0.246 nan 8.230 nan 0.000 0.437 804 K N 0.398 120.786 120.400 -0.019 0.000 2.026 804 K HA -0.051 4.258 4.320 -0.018 0.000 0.208 804 K C 1.993 178.611 176.600 0.030 0.000 1.048 804 K CA 1.898 58.160 56.287 -0.043 0.000 0.929 804 K CB -0.794 31.621 32.500 -0.141 0.000 0.713 804 K HN 0.363 nan 8.250 nan 0.000 0.439 805 A N 0.877 123.702 122.820 0.009 0.000 1.877 805 A HA -0.101 4.208 4.320 -0.018 0.000 0.216 805 A C 2.178 179.786 177.584 0.040 0.000 1.186 805 A CA 1.696 53.748 52.037 0.024 0.000 0.620 805 A CB -0.885 18.114 19.000 0.000 0.000 0.822 805 A HN 0.402 nan 8.150 nan 0.000 0.443 806 L N 0.739 121.981 121.223 0.032 0.000 1.989 806 L HA -0.171 4.158 4.340 -0.018 0.000 0.211 806 L C 2.627 179.568 176.870 0.119 0.000 1.071 806 L CA 3.271 58.121 54.840 0.017 0.000 0.749 806 L CB -1.295 40.781 42.059 0.028 0.000 0.890 806 L HN 0.549 nan 8.230 nan 0.000 0.431 807 T N -5.074 109.626 114.554 0.244 0.000 2.962 807 T HA -0.128 4.212 4.350 -0.018 0.000 0.270 807 T C 1.638 176.531 174.700 0.321 0.000 1.088 807 T CA 1.515 63.850 62.100 0.391 0.000 1.127 807 T CB -1.091 68.021 68.868 0.407 0.000 0.883 807 T HN 0.429 nan 8.240 nan 0.000 0.493 808 T N 1.566 116.298 114.554 0.297 0.000 2.951 808 T HA 0.058 4.397 4.350 -0.018 0.000 0.268 808 T C 2.079 176.794 174.700 0.025 0.000 1.073 808 T CA 0.700 62.946 62.100 0.243 0.000 1.134 808 T CB -0.348 68.678 68.868 0.264 0.000 0.884 808 T HN 0.281 nan 8.240 nan 0.000 0.479 809 V N 0.439 120.312 119.914 -0.068 0.000 2.307 809 V HA -0.158 3.952 4.120 -0.018 0.000 0.245 809 V C 2.064 177.939 176.094 -0.365 0.000 1.045 809 V CA 1.462 63.603 62.300 -0.264 0.000 1.024 809 V CB -0.801 30.797 31.823 -0.375 0.000 0.651 809 V HN 0.428 nan 8.190 nan 0.000 0.449 810 Y N 0.047 120.205 120.300 -0.236 0.000 2.114 810 Y HA -0.245 4.295 4.550 -0.017 0.000 0.282 810 Y C 2.319 177.899 175.900 -0.532 0.000 1.165 810 Y CA 1.957 59.816 58.100 -0.401 0.000 1.148 810 Y CB -0.629 37.615 38.460 -0.360 0.000 0.972 810 Y HN 0.154 nan 8.280 nan 0.000 0.504 811 I N -0.111 120.358 120.570 -0.169 0.000 2.179 811 I HA -0.348 3.811 4.170 -0.018 0.000 0.242 811 I C 1.835 177.874 176.117 -0.131 0.000 1.088 811 I CA 1.404 62.607 61.300 -0.162 0.000 1.357 811 I CB -0.413 37.467 38.000 -0.199 0.000 1.051 811 I HN 0.241 nan 8.210 nan 0.000 0.409 812 N N 0.638 119.250 118.700 -0.147 0.000 2.364 812 N HA -0.082 4.647 4.740 -0.018 0.000 0.183 812 N C 1.456 176.865 175.510 -0.168 0.000 1.022 812 N CA 1.142 54.119 53.050 -0.123 0.000 0.883 812 N CB -0.121 38.297 38.487 -0.115 0.000 0.965 812 N HN 0.371 nan 8.380 nan 0.000 0.438 813 L N 0.093 121.119 121.223 -0.328 0.000 2.728 813 L HA 0.176 4.505 4.340 -0.018 0.000 0.238 813 L C 1.591 178.428 176.870 -0.055 0.000 1.143 813 L CA -0.023 54.581 54.840 -0.394 0.000 0.937 813 L CB 0.022 41.389 42.059 -1.153 0.000 1.225 813 L HN 0.040 nan 8.230 nan 0.000 0.507 814 S N -0.920 114.800 115.700 0.033 0.000 2.507 814 S HA -0.126 4.333 4.470 -0.018 0.000 0.235 814 S C 1.297 176.057 174.600 0.266 0.000 0.988 814 S CA 0.789 59.171 58.200 0.303 0.000 0.944 814 S CB -0.149 63.213 63.200 0.271 0.000 0.762 814 S HN 0.517 nan 8.310 nan 0.000 0.526 815 E N 0.539 120.827 120.200 0.147 0.000 2.465 815 E HA 0.153 4.493 4.350 -0.018 0.000 0.195 815 E C -0.427 176.241 176.600 0.113 0.000 1.028 815 E CA -0.169 56.301 56.400 0.117 0.000 0.899 815 E CB 0.308 30.052 29.700 0.073 0.000 1.032 815 E HN 0.435 nan 8.360 nan 0.000 0.468 816 Q N 0.388 120.280 119.800 0.153 0.000 2.331 816 Q HA 0.109 4.438 4.340 -0.018 0.000 0.257 816 Q C 0.899 177.010 176.000 0.185 0.000 0.957 816 Q CA -0.120 55.771 55.803 0.147 0.000 0.923 816 Q CB 1.660 30.483 28.738 0.141 0.000 1.212 816 Q HN 0.163 nan 8.270 nan 0.000 0.443 817 S N 2.141 117.908 115.700 0.113 0.000 2.383 817 S HA -0.183 4.276 4.470 -0.018 0.000 0.227 817 S C 1.098 175.743 174.600 0.074 0.000 1.026 817 S CA 1.097 59.346 58.200 0.083 0.000 0.981 817 S CB 0.065 63.292 63.200 0.045 0.000 0.818 817 S HN 0.525 nan 8.310 nan 0.000 0.472 818 E N 1.062 121.307 120.200 0.076 0.000 2.118 818 E HA -0.045 4.295 4.350 -0.018 0.000 0.195 818 E C 1.556 178.184 176.600 0.047 0.000 0.992 818 E CA 1.255 57.677 56.400 0.038 0.000 0.804 818 E CB -0.510 29.199 29.700 0.016 0.000 0.741 818 E HN 0.668 nan 8.360 nan 0.000 0.458 819 F N 0.632 120.576 119.950 -0.010 0.000 2.128 819 F HA -0.034 4.481 4.527 -0.019 0.000 0.295 819 F C 1.858 177.711 175.800 0.088 0.000 1.100 819 F CA 1.073 59.086 58.000 0.021 0.000 1.260 819 F CB -0.163 38.868 39.000 0.053 0.000 1.009 819 F HN -0.081 nan 8.300 nan 0.000 0.476 820 I N -0.422 120.204 120.570 0.094 0.000 2.208 820 I HA -0.345 3.815 4.170 -0.018 0.000 0.245 820 I C 2.747 178.751 176.117 -0.188 0.000 1.097 820 I CA 1.675 62.944 61.300 -0.052 0.000 1.363 820 I CB -0.710 37.294 38.000 0.006 0.000 1.051 820 I HN 0.275 nan 8.210 nan 0.000 0.413 821 S N 0.514 116.149 115.700 -0.109 0.000 2.368 821 S HA -0.132 4.327 4.470 -0.018 0.000 0.224 821 S C 2.239 176.780 174.600 -0.098 0.000 1.029 821 S CA 1.200 59.339 58.200 -0.101 0.000 0.988 821 S CB -0.215 62.970 63.200 -0.026 0.000 0.838 821 S HN 0.437 nan 8.310 nan 0.000 0.462 822 A N 0.947 123.704 122.820 -0.104 0.000 1.902 822 A HA 0.003 4.312 4.320 -0.018 0.000 0.217 822 A C 2.372 179.896 177.584 -0.100 0.000 1.181 822 A CA 1.828 53.842 52.037 -0.038 0.000 0.623 822 A CB -1.140 17.730 19.000 -0.216 0.000 0.818 822 A HN 0.466 nan 8.150 nan 0.000 0.443 823 V N -0.234 119.513 119.914 -0.279 0.000 2.343 823 V HA -0.233 3.876 4.120 -0.018 0.000 0.247 823 V C 3.013 178.884 176.094 -0.372 0.000 1.051 823 V CA 1.899 64.059 62.300 -0.233 0.000 1.036 823 V CB -1.057 30.608 31.823 -0.263 0.000 0.654 823 V HN 0.617 nan 8.190 nan 0.000 0.451 824 A N -0.701 121.827 122.820 -0.488 0.000 2.015 824 A HA -0.172 4.137 4.320 -0.018 0.000 0.219 824 A C 2.180 179.547 177.584 -0.362 0.000 1.163 824 A CA 1.547 53.192 52.037 -0.653 0.000 0.646 824 A CB -0.286 18.424 19.000 -0.484 0.000 0.806 824 A HN 0.549 nan 8.150 nan 0.000 0.448 825 K N -0.512 119.782 120.400 -0.176 0.000 2.374 825 K HA 0.030 4.339 4.320 -0.018 0.000 0.196 825 K C -0.365 176.229 176.600 -0.011 0.000 1.023 825 K CA 0.178 56.422 56.287 -0.072 0.000 1.103 825 K CB 0.176 32.659 32.500 -0.030 0.000 0.848 825 K HN 0.387 nan 8.250 nan 0.000 0.528 826 D N 2.272 122.684 120.400 0.020 0.000 2.435 826 D HA -0.054 4.575 4.640 -0.018 0.000 0.230 826 D C 1.371 177.742 176.300 0.118 0.000 1.215 826 D CA -0.036 54.012 54.000 0.081 0.000 0.947 826 D CB 0.621 41.494 40.800 0.122 0.000 1.048 826 D HN 0.114 nan 8.370 nan 0.000 0.512 827 E N 4.245 124.493 120.200 0.080 0.000 2.110 827 E HA -0.284 4.056 4.350 -0.018 0.000 0.193 827 E C 1.663 178.327 176.600 0.107 0.000 0.988 827 E CA 0.843 57.300 56.400 0.094 0.000 0.804 827 E CB -0.269 29.460 29.700 0.049 0.000 0.745 827 E HN 0.496 nan 8.360 nan 0.000 0.458 828 R N 0.134 120.689 120.500 0.091 0.000 2.139 828 R HA -0.083 4.246 4.340 -0.018 0.000 0.243 828 R C 1.542 177.911 176.300 0.115 0.000 1.145 828 R CA 1.941 58.094 56.100 0.089 0.000 0.976 828 R CB 0.077 30.423 30.300 0.077 0.000 0.866 828 R HN 0.211 nan 8.270 nan 0.000 0.449 829 S N -1.585 114.204 115.700 0.148 0.000 2.727 829 S HA 0.104 4.563 4.470 -0.018 0.000 0.249 829 S C -0.251 174.435 174.600 0.143 0.000 1.079 829 S CA -0.700 57.586 58.200 0.144 0.000 0.912 829 S CB 0.325 63.632 63.200 0.179 0.000 0.861 829 S HN 0.256 nan 8.310 nan 0.000 0.484 830 F N 4.486 124.489 119.950 0.088 0.000 2.578 830 F HA 0.408 4.925 4.527 -0.018 0.000 0.381 830 F C -0.042 175.802 175.800 0.073 0.000 1.069 830 F CA 0.085 58.145 58.000 0.101 0.000 1.231 830 F CB 0.149 39.192 39.000 0.073 0.000 1.086 830 F HN 0.130 nan 8.300 nan 0.000 0.564 831 N N 4.687 122.834 118.700 -0.922 0.000 2.493 831 N HA 0.187 4.916 4.740 -0.018 0.000 0.279 831 N C 0.257 175.293 175.510 -0.790 0.000 1.082 831 N CA -0.784 51.806 53.050 -0.766 0.000 0.963 831 N CB 1.164 39.479 38.487 -0.287 0.000 1.627 831 N HN 0.682 nan 8.380 nan 0.000 0.499 832 R N 2.837 122.907 120.500 -0.716 0.000 2.117 832 R HA -0.148 4.181 4.340 -0.018 0.000 0.243 832 R C 1.197 177.468 176.300 -0.048 0.000 1.143 832 R CA 1.638 57.561 56.100 -0.295 0.000 0.968 832 R CB -0.227 29.986 30.300 -0.144 0.000 0.863 832 R HN 0.759 nan 8.270 nan 0.000 0.444 833 N N 0.506 119.145 118.700 -0.102 0.000 2.272 833 N HA -0.170 4.560 4.740 -0.018 0.000 0.185 833 N C 1.803 177.281 175.510 -0.053 0.000 1.014 833 N CA 1.000 54.017 53.050 -0.055 0.000 0.870 833 N CB -0.010 38.436 38.487 -0.069 0.000 0.975 833 N HN 0.286 nan 8.380 nan 0.000 0.433 834 L N -0.228 120.930 121.223 -0.108 0.000 2.079 834 L HA -0.194 4.135 4.340 -0.018 0.000 0.210 834 L C 1.914 178.629 176.870 -0.258 0.000 1.081 834 L CA 1.295 56.005 54.840 -0.216 0.000 0.752 834 L CB -0.634 41.217 42.059 -0.346 0.000 0.896 834 L HN 0.153 nan 8.230 nan 0.000 0.433 835 F N -0.989 118.888 119.950 -0.122 0.000 2.206 835 F HA -0.147 4.368 4.527 -0.019 0.000 0.298 835 F C 2.422 178.198 175.800 -0.041 0.000 1.090 835 F CA 0.832 58.787 58.000 -0.076 0.000 1.323 835 F CB -0.752 38.201 39.000 -0.078 0.000 1.028 835 F HN -0.235 nan 8.300 nan 0.000 0.492 836 V N 0.472 120.456 119.914 0.116 0.000 2.287 836 V HA -0.301 3.808 4.120 -0.018 0.000 0.248 836 V C 2.362 178.469 176.094 0.022 0.000 1.053 836 V CA 1.929 64.262 62.300 0.056 0.000 1.027 836 V CB -0.609 31.229 31.823 0.025 0.000 0.646 836 V HN 0.272 nan 8.190 nan 0.000 0.447 837 R N 0.005 120.497 120.500 -0.013 0.000 2.092 837 R HA -0.063 4.266 4.340 -0.018 0.000 0.231 837 R C 2.466 178.750 176.300 -0.027 0.000 1.119 837 R CA 1.304 57.386 56.100 -0.029 0.000 0.970 837 R CB -0.614 29.654 30.300 -0.054 0.000 0.864 837 R HN 0.534 nan 8.270 nan 0.000 0.440 838 A N 0.946 123.740 122.820 -0.044 0.000 1.865 838 A HA -0.156 4.153 4.320 -0.018 0.000 0.217 838 A C 2.375 179.982 177.584 0.038 0.000 1.191 838 A CA 1.654 53.675 52.037 -0.026 0.000 0.623 838 A CB -0.750 18.208 19.000 -0.069 0.000 0.826 838 A HN 0.121 nan 8.150 nan 0.000 0.444 839 V N 0.624 120.579 119.914 0.069 0.000 2.332 839 V HA -0.268 3.841 4.120 -0.018 0.000 0.248 839 V C 2.426 178.553 176.094 0.054 0.000 1.055 839 V CA 2.367 64.722 62.300 0.091 0.000 1.038 839 V CB -0.724 31.156 31.823 0.096 0.000 0.651 839 V HN 0.646 nan 8.190 nan 0.000 0.450 840 D N 0.025 120.443 120.400 0.030 0.000 2.104 840 D HA -0.160 4.469 4.640 -0.018 0.000 0.194 840 D C 2.038 178.341 176.300 0.006 0.000 0.994 840 D CA 1.666 55.674 54.000 0.014 0.000 0.830 840 D CB -0.006 40.795 40.800 0.003 0.000 0.959 840 D HN 0.451 nan 8.370 nan 0.000 0.452 841 I N 0.468 121.037 120.570 -0.002 0.000 2.315 841 I HA -0.216 3.943 4.170 -0.018 0.000 0.248 841 I C 2.524 178.632 176.117 -0.015 0.000 1.117 841 I CA 0.390 61.682 61.300 -0.013 0.000 1.404 841 I CB -0.053 37.932 38.000 -0.025 0.000 1.071 841 I HN 0.017 nan 8.210 nan 0.000 0.419 842 L N 0.238 121.461 121.223 0.000 0.000 2.056 842 L HA -0.074 4.255 4.340 -0.018 0.000 0.207 842 L C 2.528 179.387 176.870 -0.017 0.000 1.078 842 L CA 1.343 56.175 54.840 -0.013 0.000 0.749 842 L CB -0.958 41.111 42.059 0.017 0.000 0.901 842 L HN 0.305 nan 8.230 nan 0.000 0.433 843 G N -0.560 108.243 108.800 0.005 0.000 2.586 843 G HA2 -0.182 3.767 3.960 -0.018 0.000 0.215 843 G HA3 -0.182 3.767 3.960 -0.018 0.000 0.215 843 G C 1.687 176.582 174.900 -0.008 0.000 1.128 843 G CA 0.119 45.221 45.100 0.003 0.000 0.774 843 G HN 0.303 nan 8.290 nan 0.000 0.543 844 R N -0.573 119.918 120.500 -0.014 0.000 2.127 844 R HA 0.085 4.414 4.340 -0.018 0.000 0.217 844 R C 0.678 176.963 176.300 -0.024 0.000 1.074 844 R CA 0.400 56.489 56.100 -0.018 0.000 0.991 844 R CB 0.071 30.360 30.300 -0.019 0.000 0.895 844 R HN 0.086 nan 8.270 nan 0.000 0.450 845 K N 2.093 122.472 120.400 -0.035 0.000 2.268 845 K HA 0.042 4.351 4.320 -0.018 0.000 0.276 845 K C -0.721 175.855 176.600 -0.040 0.000 1.080 845 K CA -0.153 56.110 56.287 -0.040 0.000 0.910 845 K CB 1.047 33.515 32.500 -0.053 0.000 1.163 845 K HN -0.014 nan 8.250 nan 0.000 0.465 846 T N 1.079 115.615 114.554 -0.030 0.000 2.916 846 T HA 0.292 4.631 4.350 -0.018 0.000 0.303 846 T C 1.139 175.818 174.700 -0.035 0.000 1.025 846 T CA 0.204 62.289 62.100 -0.027 0.000 1.142 846 T CB 1.022 69.879 68.868 -0.017 0.000 0.947 846 T HN 0.821 nan 8.240 nan 0.000 0.544 847 G N 2.225 111.004 108.800 -0.036 0.000 2.179 847 G HA2 -0.263 3.687 3.960 -0.018 0.000 0.260 847 G HA3 -0.263 3.687 3.960 -0.018 0.000 0.260 847 G C 0.654 175.507 174.900 -0.079 0.000 0.977 847 G CA 0.318 45.389 45.100 -0.047 0.000 0.641 847 G HN 0.760 nan 8.290 nan 0.000 0.533 848 L N -0.025 121.142 121.223 -0.092 0.000 2.027 848 L HA 0.396 4.725 4.340 -0.018 0.000 0.206 848 L C 1.667 178.395 176.870 -0.238 0.000 1.074 848 L CA 1.823 56.576 54.840 -0.144 0.000 0.745 848 L CB -0.240 41.741 42.059 -0.130 0.000 0.898 848 L HN 0.637 nan 8.230 nan 0.000 0.433 849 A N -0.868 121.830 122.820 -0.204 0.000 2.356 849 A HA 0.479 4.788 4.320 -0.018 0.000 0.310 849 A C -0.036 177.519 177.584 -0.049 0.000 1.075 849 A CA -0.401 51.471 52.037 -0.276 0.000 0.746 849 A CB 1.117 19.971 19.000 -0.242 0.000 1.221 849 A HN 0.266 nan 8.150 nan 0.000 0.443 850 S N 2.957 118.665 115.700 0.014 0.000 2.572 850 S HA 0.325 4.785 4.470 -0.018 0.000 0.279 850 S C -1.728 172.958 174.600 0.143 0.000 1.341 850 S CA -0.605 57.643 58.200 0.081 0.000 1.043 850 S CB 0.497 63.752 63.200 0.091 0.000 0.887 850 S HN 0.425 nan 8.310 nan 0.000 0.516 851 P HA -0.163 nan 4.420 nan 0.000 0.217 851 P C 1.114 178.480 177.300 0.110 0.000 1.151 851 P CA 1.494 64.651 63.100 0.095 0.000 0.849 851 P CB -0.009 31.727 31.700 0.060 0.000 0.787 852 E N -1.436 118.830 120.200 0.110 0.000 2.058 852 E HA -0.189 4.150 4.350 -0.018 0.000 0.194 852 E C 1.784 178.457 176.600 0.122 0.000 0.997 852 E CA 1.059 57.518 56.400 0.099 0.000 0.801 852 E CB -1.181 28.576 29.700 0.094 0.000 0.746 852 E HN 0.234 nan 8.360 nan 0.000 0.450 853 F N 0.652 120.622 119.950 0.034 0.000 2.120 853 F HA -0.213 4.303 4.527 -0.019 0.000 0.300 853 F C 1.945 177.777 175.800 0.053 0.000 1.095 853 F CA 1.444 59.470 58.000 0.042 0.000 1.249 853 F CB -0.084 38.936 39.000 0.034 0.000 0.995 853 F HN -0.024 nan 8.300 nan 0.000 0.480 854 I N 0.016 120.735 120.570 0.248 0.000 2.252 854 I HA -0.229 3.930 4.170 -0.018 0.000 0.245 854 I C 2.282 178.425 176.117 0.044 0.000 1.102 854 I CA 1.008 62.408 61.300 0.168 0.000 1.385 854 I CB -0.437 37.672 38.000 0.180 0.000 1.064 854 I HN 0.094 nan 8.210 nan 0.000 0.414 855 E N 1.037 121.260 120.200 0.038 0.000 2.085 855 E HA -0.237 4.102 4.350 -0.018 0.000 0.194 855 E C 2.095 178.683 176.600 -0.020 0.000 0.994 855 E CA 1.222 57.629 56.400 0.013 0.000 0.801 855 E CB -0.273 29.440 29.700 0.021 0.000 0.743 855 E HN 0.457 nan 8.360 nan 0.000 0.453 856 K N 0.264 120.626 120.400 -0.063 0.000 2.097 856 K HA -0.134 4.175 4.320 -0.018 0.000 0.206 856 K C 2.163 178.712 176.600 -0.085 0.000 1.049 856 K CA 0.656 56.891 56.287 -0.087 0.000 0.933 856 K CB -0.165 32.250 32.500 -0.143 0.000 0.717 856 K HN -0.005 nan 8.250 nan 0.000 0.442 857 L N 1.153 122.283 121.223 -0.154 0.000 2.027 857 L HA -0.111 4.218 4.340 -0.018 0.000 0.206 857 L C 1.827 178.727 176.870 0.049 0.000 1.074 857 L CA 1.459 56.269 54.840 -0.051 0.000 0.745 857 L CB -0.227 41.792 42.059 -0.067 0.000 0.898 857 L HN 0.123 nan 8.230 nan 0.000 0.433 858 L N -0.632 120.603 121.223 0.019 0.000 2.083 858 L HA -0.223 4.106 4.340 -0.018 0.000 0.209 858 L C 2.276 179.119 176.870 -0.045 0.000 1.083 858 L CA 1.644 56.481 54.840 -0.005 0.000 0.752 858 L CB -0.701 41.363 42.059 0.008 0.000 0.899 858 L HN 0.439 nan 8.230 nan 0.000 0.433 859 N N 0.046 118.734 118.700 -0.019 0.000 2.104 859 N HA -0.269 4.461 4.740 -0.018 0.000 0.190 859 N C 1.809 177.292 175.510 -0.045 0.000 1.024 859 N CA 1.204 54.239 53.050 -0.025 0.000 0.853 859 N CB -0.141 38.347 38.487 0.002 0.000 1.008 859 N HN 0.204 nan 8.380 nan 0.000 0.424 860 F N 1.067 120.943 119.950 -0.124 0.000 2.095 860 F HA -0.068 4.448 4.527 -0.018 0.000 0.298 860 F C 2.118 177.756 175.800 -0.270 0.000 1.104 860 F CA 1.562 59.475 58.000 -0.146 0.000 1.232 860 F CB -0.753 38.182 39.000 -0.108 0.000 0.987 860 F HN 0.099 nan 8.300 nan 0.000 0.475 861 A N 0.277 122.772 122.820 -0.543 0.000 1.969 861 A HA -0.167 4.142 4.320 -0.018 0.000 0.218 861 A C 2.006 179.321 177.584 -0.448 0.000 1.169 861 A CA 1.725 53.300 52.037 -0.769 0.000 0.635 861 A CB -0.820 17.802 19.000 -0.629 0.000 0.810 861 A HN 0.516 nan 8.150 nan 0.000 0.445 862 N N 0.120 118.640 118.700 -0.300 0.000 2.171 862 N HA -0.090 4.639 4.740 -0.018 0.000 0.184 862 N C 1.598 176.975 175.510 -0.221 0.000 1.021 862 N CA 1.375 54.309 53.050 -0.194 0.000 0.854 862 N CB -0.348 38.065 38.487 -0.123 0.000 0.994 862 N HN 0.524 nan 8.380 nan 0.000 0.426 863 K N 0.745 120.977 120.400 -0.279 0.000 2.063 863 K HA -0.040 4.269 4.320 -0.018 0.000 0.208 863 K C 2.001 178.395 176.600 -0.344 0.000 1.048 863 K CA 1.370 57.500 56.287 -0.262 0.000 0.928 863 K CB -0.134 32.227 32.500 -0.233 0.000 0.713 863 K HN 0.140 nan 8.250 nan 0.000 0.442 864 A N 1.224 123.713 122.820 -0.551 0.000 1.873 864 A HA -0.199 4.110 4.320 -0.018 0.000 0.215 864 A C 2.040 179.334 177.584 -0.483 0.000 1.186 864 A CA 1.769 53.425 52.037 -0.636 0.000 0.616 864 A CB -0.415 18.044 19.000 -0.901 0.000 0.823 864 A HN 0.306 nan 8.150 nan 0.000 0.442 865 E N 0.305 120.386 120.200 -0.199 0.000 2.150 865 E HA -0.204 4.136 4.350 -0.018 0.000 0.193 865 E C 1.852 178.405 176.600 -0.079 0.000 0.985 865 E CA 1.708 58.118 56.400 0.017 0.000 0.814 865 E CB -0.235 29.517 29.700 0.087 0.000 0.752 865 E HN 0.736 nan 8.360 nan 0.000 0.466 866 E N -0.620 119.503 120.200 -0.129 0.000 2.112 866 E HA -0.213 4.127 4.350 -0.018 0.000 0.190 866 E C 1.967 178.494 176.600 -0.121 0.000 0.979 866 E CA 0.893 57.230 56.400 -0.105 0.000 0.814 866 E CB -0.104 29.535 29.700 -0.101 0.000 0.762 866 E HN 0.147 nan 8.360 nan 0.000 0.460 867 Q N 1.256 120.951 119.800 -0.175 0.000 2.124 867 Q HA -0.155 4.174 4.340 -0.018 0.000 0.202 867 Q C 2.069 177.973 176.000 -0.160 0.000 0.977 867 Q CA 1.719 57.421 55.803 -0.167 0.000 0.850 867 Q CB -0.221 28.390 28.738 -0.212 0.000 0.901 867 Q HN 0.209 nan 8.270 nan 0.000 0.429 868 R N -0.110 120.270 120.500 -0.200 0.000 2.081 868 R HA -0.123 4.206 4.340 -0.018 0.000 0.235 868 R C 1.976 178.231 176.300 -0.074 0.000 1.131 868 R CA 1.555 57.561 56.100 -0.157 0.000 0.960 868 R CB -0.032 30.165 30.300 -0.172 0.000 0.856 868 R HN 0.176 nan 8.270 nan 0.000 0.436 869 K N 0.086 120.452 120.400 -0.056 0.000 2.002 869 K HA -0.108 4.201 4.320 -0.018 0.000 0.209 869 K C 2.185 178.766 176.600 -0.032 0.000 1.048 869 K CA 1.369 57.637 56.287 -0.032 0.000 0.930 869 K CB -0.282 32.202 32.500 -0.026 0.000 0.714 869 K HN 0.210 nan 8.250 nan 0.000 0.438 870 A N 2.392 125.187 122.820 -0.042 0.000 1.896 870 A HA -0.290 4.019 4.320 -0.018 0.000 0.220 870 A C 1.750 179.317 177.584 -0.028 0.000 1.206 870 A CA 2.428 54.445 52.037 -0.034 0.000 0.647 870 A CB -0.764 18.208 19.000 -0.047 0.000 0.828 870 A HN 0.264 nan 8.150 nan 0.000 0.455 871 D N -1.029 119.344 120.400 -0.046 0.000 2.117 871 D HA -0.156 4.473 4.640 -0.018 0.000 0.197 871 D C 1.966 178.250 176.300 -0.027 0.000 0.987 871 D CA 1.523 55.497 54.000 -0.043 0.000 0.829 871 D CB -0.370 40.391 40.800 -0.065 0.000 0.961 871 D HN 0.817 nan 8.370 nan 0.000 0.460 872 E N 0.792 120.977 120.200 -0.025 0.000 2.107 872 E HA -0.162 4.177 4.350 -0.018 0.000 0.191 872 E C 1.650 178.247 176.600 -0.005 0.000 0.982 872 E CA 0.739 57.130 56.400 -0.016 0.000 0.809 872 E CB 0.095 29.787 29.700 -0.013 0.000 0.756 872 E HN 0.258 nan 8.360 nan 0.000 0.459 873 E N 0.324 120.524 120.200 0.001 0.000 2.072 873 E HA -0.213 4.126 4.350 -0.018 0.000 0.191 873 E C 1.983 178.611 176.600 0.046 0.000 0.985 873 E CA 1.215 57.624 56.400 0.015 0.000 0.801 873 E CB 0.009 29.720 29.700 0.017 0.000 0.750 873 E HN 0.181 nan 8.360 nan 0.000 0.452 874 E N 1.304 121.538 120.200 0.057 0.000 2.085 874 E HA -0.249 4.090 4.350 -0.018 0.000 0.194 874 E C 1.567 178.225 176.600 0.097 0.000 0.994 874 E CA 1.904 58.369 56.400 0.107 0.000 0.801 874 E CB -0.170 29.557 29.700 0.045 0.000 0.743 874 E HN 0.224 nan 8.360 nan 0.000 0.453 875 D N -1.150 119.269 120.400 0.032 0.000 2.117 875 D HA -0.162 4.467 4.640 -0.018 0.000 0.198 875 D C 1.935 178.236 176.300 0.002 0.000 0.982 875 D CA 1.166 55.173 54.000 0.011 0.000 0.828 875 D CB -0.198 40.592 40.800 -0.016 0.000 0.967 875 D HN 0.265 nan 8.370 nan 0.000 0.464 876 L N 0.417 121.635 121.223 -0.009 0.000 2.046 876 L HA -0.063 4.266 4.340 -0.018 0.000 0.208 876 L C 2.091 178.916 176.870 -0.076 0.000 1.077 876 L CA 1.824 56.644 54.840 -0.033 0.000 0.747 876 L CB -0.592 41.450 42.059 -0.030 0.000 0.896 876 L HN 0.040 nan 8.230 nan 0.000 0.432 877 E N -1.954 118.183 120.200 -0.104 0.000 2.140 877 E HA -0.106 4.233 4.350 -0.018 0.000 0.191 877 E C 1.278 177.524 176.600 -0.590 0.000 0.973 877 E CA 1.281 57.488 56.400 -0.321 0.000 0.829 877 E CB -0.061 29.468 29.700 -0.285 0.000 0.781 877 E HN 0.619 nan 8.360 nan 0.000 0.466 878 Y N -1.731 118.565 120.300 -0.008 0.000 2.453 878 Y HA 0.404 4.943 4.550 -0.018 0.000 0.247 878 Y C 1.198 177.095 175.900 -0.004 0.000 1.124 878 Y CA 0.079 58.177 58.100 -0.004 0.000 1.243 878 Y CB 1.161 39.615 38.460 -0.009 0.000 1.213 878 Y HN 0.031 nan 8.280 nan 0.000 0.523 879 G N 1.208 110.051 108.800 0.071 0.000 3.343 879 G HA2 0.020 3.970 3.960 -0.018 0.000 0.264 879 G HA3 0.020 3.970 3.960 -0.018 0.000 0.264 879 G C 0.312 175.228 174.900 0.026 0.000 0.884 879 G CA -0.127 44.994 45.100 0.035 0.000 1.916 879 G HN 0.356 nan 8.290 nan 0.000 0.618 880 D N -0.204 120.231 120.400 0.058 0.000 2.349 880 D HA -0.089 4.540 4.640 -0.018 0.000 0.215 880 D C 0.929 177.325 176.300 0.160 0.000 1.016 880 D CA 0.126 54.183 54.000 0.095 0.000 0.870 880 D CB 0.037 40.895 40.800 0.097 0.000 0.917 880 D HN 0.256 nan 8.370 nan 0.000 0.524 881 V N -1.545 118.411 119.914 0.071 0.000 2.409 881 V HA 0.526 4.635 4.120 -0.018 0.000 0.291 881 V C -2.753 173.217 176.094 -0.207 0.000 1.020 881 V CA -2.353 59.922 62.300 -0.041 0.000 0.848 881 V CB 1.152 32.984 31.823 0.014 0.000 0.990 881 V HN -0.277 nan 8.190 nan 0.000 0.430 882 P HA 0.080 nan 4.420 nan 0.000 0.265 882 P C 0.647 177.646 177.300 -0.502 0.000 1.187 882 P CA 0.172 62.934 63.100 -0.563 0.000 0.766 882 P CB 0.603 31.677 31.700 -1.042 0.000 0.820 883 D N 2.107 122.302 120.400 -0.341 0.000 2.123 883 D HA -0.174 4.455 4.640 -0.018 0.000 0.196 883 D C 1.385 177.575 176.300 -0.183 0.000 0.992 883 D CA 1.331 55.205 54.000 -0.210 0.000 0.833 883 D CB 0.177 40.876 40.800 -0.168 0.000 0.954 883 D HN 0.622 nan 8.370 nan 0.000 0.455 884 E N -0.530 119.506 120.200 -0.273 0.000 2.409 884 E HA -0.115 4.224 4.350 -0.018 0.000 0.198 884 E C 1.718 178.391 176.600 0.122 0.000 1.024 884 E CA 0.635 56.968 56.400 -0.111 0.000 0.861 884 E CB -0.596 29.043 29.700 -0.102 0.000 0.788 884 E HN 0.420 nan 8.360 nan 0.000 0.521 885 F N 0.884 120.758 119.950 -0.126 0.000 2.743 885 F HA 0.207 4.723 4.527 -0.019 0.000 0.297 885 F C 0.874 176.628 175.800 -0.076 0.000 1.131 885 F CA -0.690 57.234 58.000 -0.128 0.000 1.426 885 F CB 0.312 39.167 39.000 -0.242 0.000 1.116 885 F HN -0.085 nan 8.300 nan 0.000 0.583 886 L N 0.797 122.085 121.223 0.108 0.000 2.350 886 L HA 0.140 4.470 4.340 -0.018 0.000 0.275 886 L C 0.364 177.290 176.870 0.094 0.000 1.099 886 L CA -0.559 54.337 54.840 0.093 0.000 0.808 886 L CB 0.574 42.680 42.059 0.078 0.000 1.149 886 L HN -0.044 nan 8.230 nan 0.000 0.442 887 D N 4.506 124.963 120.400 0.096 0.000 2.424 887 D HA 0.028 4.657 4.640 -0.018 0.000 0.244 887 D C -1.640 174.730 176.300 0.117 0.000 1.134 887 D CA -1.203 52.846 54.000 0.081 0.000 0.881 887 D CB 1.742 42.569 40.800 0.044 0.000 1.191 887 D HN 0.303 nan 8.370 nan 0.000 0.445 888 P HA -0.036 nan 4.420 nan 0.000 0.229 888 P C 1.349 178.763 177.300 0.190 0.000 1.160 888 P CA 0.596 63.800 63.100 0.175 0.000 0.777 888 P CB 0.558 32.336 31.700 0.129 0.000 0.814 889 L N -2.024 119.213 121.223 0.023 0.000 2.577 889 L HA 0.204 4.533 4.340 -0.018 0.000 0.225 889 L C 2.157 178.708 176.870 -0.532 0.000 1.053 889 L CA 0.402 55.136 54.840 -0.177 0.000 0.866 889 L CB -0.290 41.712 42.059 -0.095 0.000 1.132 889 L HN -0.169 nan 8.230 nan 0.000 0.486 890 M N -1.120 118.271 119.600 -0.349 0.000 2.441 890 M HA 0.132 4.601 4.480 -0.018 0.000 0.244 890 M C 0.217 176.377 176.300 -0.235 0.000 1.122 890 M CA 0.127 55.233 55.300 -0.323 0.000 1.041 890 M CB -0.331 32.200 32.600 -0.114 0.000 1.438 890 M HN 0.123 nan 8.290 nan 0.000 0.484 891 Y N -0.423 119.896 120.300 0.031 0.000 4.753 891 Y HA -0.237 4.302 4.550 -0.019 0.000 0.232 891 Y C 0.659 176.576 175.900 0.027 0.000 1.029 891 Y CA 0.458 58.572 58.100 0.024 0.000 1.996 891 Y CB -3.133 35.339 38.460 0.019 0.000 1.602 891 Y HN 0.343 nan 8.280 nan 0.000 0.621 892 T N -1.558 113.077 114.554 0.135 0.000 2.912 892 T HA 0.736 5.075 4.350 -0.018 0.000 0.288 892 T C 0.392 175.144 174.700 0.086 0.000 1.030 892 T CA -0.999 61.161 62.100 0.100 0.000 1.020 892 T CB 2.144 71.053 68.868 0.068 0.000 1.056 892 T HN 0.242 nan 8.240 nan 0.000 0.480 893 I N 1.677 122.299 120.570 0.088 0.000 3.015 893 I HA -0.044 4.116 4.170 -0.018 0.000 0.309 893 I C 0.661 176.811 176.117 0.055 0.000 1.229 893 I CA 0.400 61.749 61.300 0.083 0.000 1.430 893 I CB -0.601 37.457 38.000 0.097 0.000 1.347 893 I HN 0.585 nan 8.210 nan 0.000 0.544 894 M N 6.749 126.376 119.600 0.045 0.000 2.242 894 M HA 0.151 4.620 4.480 -0.018 0.000 0.344 894 M C 1.186 177.487 176.300 0.002 0.000 1.140 894 M CA 0.059 55.374 55.300 0.024 0.000 1.160 894 M CB 1.181 33.796 32.600 0.025 0.000 1.491 894 M HN 0.538 nan 8.290 nan 0.000 0.459 895 K N 0.693 121.095 120.400 0.003 0.000 2.244 895 K HA 0.026 4.335 4.320 -0.018 0.000 0.200 895 K C -0.151 176.440 176.600 -0.014 0.000 1.052 895 K CA 0.791 57.076 56.287 -0.004 0.000 0.980 895 K CB 0.356 32.858 32.500 0.003 0.000 0.838 895 K HN 0.594 nan 8.250 nan 0.000 0.481 896 D N 1.199 121.595 120.400 -0.007 0.000 2.429 896 D HA 0.151 4.780 4.640 -0.018 0.000 0.255 896 D C -2.795 173.505 176.300 -0.001 0.000 1.257 896 D CA -2.287 51.709 54.000 -0.008 0.000 0.890 896 D CB 1.147 41.945 40.800 -0.002 0.000 1.267 896 D HN -0.125 nan 8.370 nan 0.000 0.521 897 P HA 0.152 nan 4.420 nan 0.000 0.271 897 P C -0.230 177.076 177.300 0.010 0.000 1.216 897 P CA -0.374 62.729 63.100 0.006 0.000 0.771 897 P CB 1.339 33.039 31.700 -0.001 0.000 0.864 898 V N 1.209 121.135 119.914 0.021 0.000 2.962 898 V HA 0.594 4.704 4.120 -0.018 0.000 0.313 898 V C -0.383 175.729 176.094 0.030 0.000 1.099 898 V CA -1.210 61.103 62.300 0.023 0.000 0.971 898 V CB 2.090 33.928 31.823 0.025 0.000 1.028 898 V HN 0.285 nan 8.190 nan 0.000 0.430 899 I N 3.839 124.424 120.570 0.026 0.000 2.321 899 I HA 0.379 4.538 4.170 -0.018 0.000 0.291 899 I C -0.139 176.000 176.117 0.037 0.000 0.998 899 I CA -0.481 60.835 61.300 0.026 0.000 1.227 899 I CB 1.425 39.434 38.000 0.015 0.000 1.368 899 I HN 0.489 nan 8.210 nan 0.000 0.466 900 L N 8.698 129.953 121.223 0.054 0.000 2.410 900 L HA 0.185 4.514 4.340 -0.018 0.000 0.273 900 L C -1.165 175.735 176.870 0.050 0.000 1.152 900 L CA -1.258 53.623 54.840 0.067 0.000 0.855 900 L CB 0.453 42.583 42.059 0.119 0.000 1.129 900 L HN 0.417 nan 8.230 nan 0.000 0.463 901 P HA -0.080 nan 4.420 nan 0.000 0.222 901 P C 0.970 178.289 177.300 0.032 0.000 1.153 901 P CA 0.921 64.040 63.100 0.031 0.000 0.798 901 P CB 0.431 32.147 31.700 0.027 0.000 0.796 902 A N 0.912 123.758 122.820 0.043 0.000 1.861 902 A HA -0.042 4.267 4.320 -0.018 0.000 0.212 902 A C 2.358 179.970 177.584 0.046 0.000 1.199 902 A CA 1.818 53.880 52.037 0.043 0.000 0.613 902 A CB -1.197 17.832 19.000 0.047 0.000 0.846 902 A HN 0.322 nan 8.150 nan 0.000 0.446 903 S N -1.909 113.833 115.700 0.070 0.000 2.478 903 S HA 0.053 4.513 4.470 -0.018 0.000 0.222 903 S C 0.792 175.397 174.600 0.008 0.000 1.008 903 S CA 0.879 59.116 58.200 0.060 0.000 0.928 903 S CB 0.130 63.416 63.200 0.142 0.000 0.781 903 S HN 0.392 nan 8.310 nan 0.000 0.518 904 K N -0.290 120.119 120.400 0.015 0.000 3.446 904 K HA -0.102 4.207 4.320 -0.018 0.000 0.312 904 K C -0.286 176.291 176.600 -0.038 0.000 1.329 904 K CA 0.906 57.188 56.287 -0.009 0.000 0.935 904 K CB -2.463 30.026 32.500 -0.019 0.000 1.281 904 K HN 0.452 nan 8.250 nan 0.000 0.457 905 M N 1.262 120.828 119.600 -0.057 0.000 2.243 905 M HA 0.134 4.604 4.480 -0.018 0.000 0.341 905 M C 0.762 177.042 176.300 -0.034 0.000 1.130 905 M CA 0.175 55.392 55.300 -0.139 0.000 1.162 905 M CB 0.309 32.694 32.600 -0.360 0.000 1.497 905 M HN -0.024 nan 8.290 nan 0.000 0.456 906 N N 2.378 121.051 118.700 -0.044 0.000 2.518 906 N HA 0.579 5.308 4.740 -0.018 0.000 0.283 906 N C -1.016 174.517 175.510 0.039 0.000 1.119 906 N CA -0.135 52.919 53.050 0.006 0.000 0.983 906 N CB 2.154 40.645 38.487 0.006 0.000 1.139 906 N HN 0.619 nan 8.380 nan 0.000 0.465 907 I N 0.300 120.907 120.570 0.063 0.000 2.908 907 I HA 0.105 4.264 4.170 -0.018 0.000 0.300 907 I C -1.205 174.944 176.117 0.054 0.000 1.385 907 I CA -0.753 60.598 61.300 0.084 0.000 1.004 907 I CB 2.508 40.594 38.000 0.142 0.000 1.309 907 I HN 0.353 nan 8.210 nan 0.000 0.449 908 D N 4.288 124.714 120.400 0.044 0.000 2.425 908 D HA 0.108 4.737 4.640 -0.018 0.000 0.247 908 D C 1.361 177.676 176.300 0.026 0.000 1.147 908 D CA 0.263 54.280 54.000 0.028 0.000 0.879 908 D CB 1.101 41.914 40.800 0.022 0.000 1.179 908 D HN 0.478 nan 8.370 nan 0.000 0.456 909 R N 2.211 122.723 120.500 0.020 0.000 2.134 909 R HA -0.278 4.051 4.340 -0.018 0.000 0.248 909 R C 1.791 178.101 176.300 0.018 0.000 1.143 909 R CA 2.350 58.461 56.100 0.019 0.000 0.957 909 R CB -0.360 29.948 30.300 0.013 0.000 0.867 909 R HN 0.587 nan 8.270 nan 0.000 0.441 910 S N -1.158 114.551 115.700 0.014 0.000 2.402 910 S HA -0.084 4.375 4.470 -0.018 0.000 0.229 910 S C 1.816 176.423 174.600 0.012 0.000 1.021 910 S CA 1.413 59.620 58.200 0.011 0.000 0.974 910 S CB -0.312 62.892 63.200 0.007 0.000 0.800 910 S HN 0.447 nan 8.310 nan 0.000 0.484 911 T N 2.334 116.896 114.554 0.013 0.000 2.777 911 T HA 0.083 4.422 4.350 -0.018 0.000 0.266 911 T C 1.675 176.392 174.700 0.028 0.000 1.040 911 T CA 1.218 63.324 62.100 0.010 0.000 1.141 911 T CB -0.458 68.411 68.868 0.001 0.000 0.868 911 T HN 0.365 nan 8.240 nan 0.000 0.444 912 I N 1.311 121.901 120.570 0.034 0.000 2.252 912 I HA -0.007 4.153 4.170 -0.018 0.000 0.245 912 I C 2.304 178.465 176.117 0.072 0.000 1.102 912 I CA 1.358 62.691 61.300 0.055 0.000 1.385 912 I CB -0.333 37.694 38.000 0.046 0.000 1.064 912 I HN 0.052 nan 8.210 nan 0.000 0.414 913 K N 0.560 120.984 120.400 0.040 0.000 2.063 913 K HA -0.179 4.130 4.320 -0.018 0.000 0.208 913 K C 2.052 178.661 176.600 0.015 0.000 1.048 913 K CA 1.524 57.824 56.287 0.023 0.000 0.928 913 K CB -0.259 32.249 32.500 0.013 0.000 0.713 913 K HN 0.400 nan 8.250 nan 0.000 0.442 914 A N 0.194 123.027 122.820 0.021 0.000 1.969 914 A HA -0.189 4.120 4.320 -0.018 0.000 0.218 914 A C 1.909 179.502 177.584 0.015 0.000 1.169 914 A CA 1.777 53.819 52.037 0.010 0.000 0.635 914 A CB -0.753 18.252 19.000 0.008 0.000 0.810 914 A HN 0.625 nan 8.150 nan 0.000 0.445 915 H N -0.197 118.842 119.070 -0.052 0.000 2.363 915 H HA 0.102 4.646 4.556 -0.021 0.000 0.301 915 H C 1.570 176.865 175.328 -0.055 0.000 1.074 915 H CA 1.733 57.741 56.048 -0.067 0.000 1.354 915 H CB -0.202 29.501 29.762 -0.097 0.000 1.397 915 H HN 0.339 nan 8.280 nan 0.000 0.516 916 L N -0.120 121.052 121.223 -0.084 0.000 2.395 916 L HA -0.048 4.282 4.340 -0.018 0.000 0.218 916 L C 1.980 178.782 176.870 -0.114 0.000 1.130 916 L CA 0.052 54.821 54.840 -0.118 0.000 0.826 916 L CB -0.181 41.872 42.059 -0.010 0.000 0.941 916 L HN 0.286 nan 8.230 nan 0.000 0.451 917 L N -0.200 120.969 121.223 -0.090 0.000 2.191 917 L HA -0.184 4.146 4.340 -0.018 0.000 0.212 917 L C 2.321 179.132 176.870 -0.099 0.000 1.103 917 L CA 2.065 56.861 54.840 -0.074 0.000 0.769 917 L CB -0.315 41.714 42.059 -0.051 0.000 0.908 917 L HN 0.376 nan 8.230 nan 0.000 0.438 918 S N -3.445 112.161 115.700 -0.157 0.000 2.632 918 S HA 0.195 4.654 4.470 -0.018 0.000 0.237 918 S C 0.025 174.508 174.600 -0.194 0.000 1.037 918 S CA -0.195 57.916 58.200 -0.149 0.000 1.009 918 S CB 0.301 63.425 63.200 -0.126 0.000 0.974 918 S HN 0.377 nan 8.310 nan 0.000 0.544 919 D N 0.779 121.003 120.400 -0.294 0.000 2.300 919 D HA 0.254 4.883 4.640 -0.018 0.000 0.218 919 D C -1.219 174.902 176.300 -0.298 0.000 1.326 919 D CA -0.084 53.722 54.000 -0.323 0.000 0.942 919 D CB 1.467 41.980 40.800 -0.479 0.000 1.495 919 D HN -0.011 nan 8.370 nan 0.000 0.545 920 S N 2.193 117.815 115.700 -0.130 0.000 3.544 920 S HA 0.308 4.768 4.470 -0.018 0.000 0.227 920 S C 0.228 174.826 174.600 -0.003 0.000 1.387 920 S CA -0.071 58.093 58.200 -0.059 0.000 1.182 920 S CB -0.481 62.696 63.200 -0.039 0.000 1.243 920 S HN 0.566 nan 8.310 nan 0.000 0.467 921 T N -2.042 112.542 114.554 0.050 0.000 2.900 921 T HA 0.331 4.670 4.350 -0.018 0.000 0.303 921 T C -1.021 173.779 174.700 0.167 0.000 1.142 921 T CA -1.029 61.132 62.100 0.101 0.000 1.007 921 T CB 1.479 70.404 68.868 0.094 0.000 1.156 921 T HN 0.084 nan 8.240 nan 0.000 0.490 922 D N 2.714 123.156 120.400 0.071 0.000 2.487 922 D HA 0.062 4.691 4.640 -0.018 0.000 0.243 922 D C -1.203 175.019 176.300 -0.131 0.000 1.154 922 D CA -1.379 52.623 54.000 0.002 0.000 0.876 922 D CB 1.348 42.177 40.800 0.049 0.000 1.161 922 D HN 0.293 nan 8.370 nan 0.000 0.478 923 P HA -0.031 nan 4.420 nan 0.000 0.236 923 P C 1.008 177.904 177.300 -0.672 0.000 1.177 923 P CA 0.557 63.184 63.100 -0.789 0.000 0.773 923 P CB -0.006 30.837 31.700 -1.428 0.000 0.878 924 F N 1.323 121.219 119.950 -0.091 0.000 2.530 924 F HA 0.075 4.588 4.527 -0.022 0.000 0.292 924 F C 1.687 177.477 175.800 -0.016 0.000 1.109 924 F CA 0.690 58.662 58.000 -0.046 0.000 1.450 924 F CB -0.504 38.471 39.000 -0.041 0.000 1.114 924 F HN 0.042 nan 8.300 nan 0.000 0.560 925 N N -1.238 117.536 118.700 0.124 0.000 2.143 925 N HA 0.076 4.805 4.740 -0.018 0.000 0.229 925 N C 0.374 175.914 175.510 0.051 0.000 1.294 925 N CA -0.113 52.989 53.050 0.087 0.000 0.883 925 N CB 0.290 38.832 38.487 0.091 0.000 1.148 925 N HN -0.154 nan 8.380 nan 0.000 0.511 926 R N -1.134 119.385 120.500 0.032 0.000 3.954 926 R HA -0.126 4.203 4.340 -0.018 0.000 0.422 926 R C -0.358 175.962 176.300 0.034 0.000 1.091 926 R CA 0.613 56.731 56.100 0.031 0.000 1.168 926 R CB -2.308 28.008 30.300 0.028 0.000 1.752 926 R HN 0.364 nan 8.270 nan 0.000 0.547 927 M N 1.647 121.270 119.600 0.038 0.000 2.249 927 M HA 0.150 4.619 4.480 -0.018 0.000 0.340 927 M C -1.703 174.617 176.300 0.033 0.000 1.166 927 M CA -1.767 53.553 55.300 0.034 0.000 1.115 927 M CB -0.378 32.244 32.600 0.037 0.000 1.606 927 M HN -0.262 nan 8.290 nan 0.000 0.448 928 P HA 0.213 nan 4.420 nan 0.000 0.266 928 P C -1.004 176.312 177.300 0.027 0.000 1.195 928 P CA -0.085 63.028 63.100 0.022 0.000 0.768 928 P CB 0.494 32.203 31.700 0.014 0.000 0.838 929 L N 2.456 123.695 121.223 0.027 0.000 2.592 929 L HA 0.443 4.772 4.340 -0.018 0.000 0.258 929 L C -1.503 175.382 176.870 0.025 0.000 0.926 929 L CA -0.364 54.495 54.840 0.032 0.000 0.885 929 L CB 1.890 43.978 42.059 0.048 0.000 1.380 929 L HN 0.179 nan 8.230 nan 0.000 0.415 930 K N 4.015 124.427 120.400 0.021 0.000 2.270 930 K HA 0.391 4.700 4.320 -0.018 0.000 0.255 930 K C 0.400 177.011 176.600 0.018 0.000 0.936 930 K CA -0.893 55.403 56.287 0.014 0.000 0.809 930 K CB 2.323 34.829 32.500 0.009 0.000 1.131 930 K HN 0.618 nan 8.250 nan 0.000 0.427 931 L N 3.046 124.279 121.223 0.016 0.000 2.089 931 L HA -0.250 4.079 4.340 -0.018 0.000 0.213 931 L C 1.415 178.295 176.870 0.017 0.000 1.079 931 L CA 2.097 56.949 54.840 0.019 0.000 0.758 931 L CB -0.333 41.733 42.059 0.013 0.000 0.891 931 L HN 0.693 nan 8.230 nan 0.000 0.433 932 E N -0.381 119.827 120.200 0.013 0.000 2.130 932 E HA -0.228 4.112 4.350 -0.018 0.000 0.196 932 E C 1.653 178.261 176.600 0.013 0.000 0.998 932 E CA 1.517 57.923 56.400 0.011 0.000 0.806 932 E CB -0.382 29.323 29.700 0.008 0.000 0.738 932 E HN 0.566 nan 8.360 nan 0.000 0.459 933 D N 0.218 120.628 120.400 0.016 0.000 2.378 933 D HA -0.027 4.602 4.640 -0.018 0.000 0.227 933 D C 0.102 176.414 176.300 0.020 0.000 1.012 933 D CA 0.276 54.287 54.000 0.017 0.000 0.905 933 D CB 0.064 40.876 40.800 0.020 0.000 0.895 933 D HN 0.017 nan 8.370 nan 0.000 0.532 934 V N 0.911 120.838 119.914 0.022 0.000 2.686 934 V HA 0.099 4.208 4.120 -0.018 0.000 0.295 934 V C 0.435 176.541 176.094 0.019 0.000 1.055 934 V CA 0.298 62.613 62.300 0.025 0.000 1.050 934 V CB 1.701 33.541 31.823 0.028 0.000 0.984 934 V HN -0.004 nan 8.190 nan 0.000 0.482 935 T N 7.595 122.160 114.554 0.019 0.000 2.786 935 T HA 0.397 4.737 4.350 -0.018 0.000 0.283 935 T C -2.679 172.028 174.700 0.012 0.000 0.992 935 T CA -1.152 60.956 62.100 0.014 0.000 0.954 935 T CB 1.647 70.523 68.868 0.013 0.000 0.934 935 T HN 0.430 nan 8.240 nan 0.000 0.440 936 P HA 0.109 nan 4.420 nan 0.000 0.264 936 P C -0.106 177.196 177.300 0.004 0.000 1.193 936 P CA -0.232 62.871 63.100 0.005 0.000 0.763 936 P CB 0.344 32.045 31.700 0.003 0.000 0.810 937 N N 3.009 121.710 118.700 0.002 0.000 3.301 937 N HA 0.001 4.730 4.740 -0.018 0.000 0.289 937 N C 1.076 176.581 175.510 -0.009 0.000 1.343 937 N CA -0.089 52.961 53.050 -0.001 0.000 1.136 937 N CB -0.080 38.409 38.487 0.003 0.000 1.402 937 N HN 0.232 nan 8.380 nan 0.000 0.516 938 E N 1.337 121.532 120.200 -0.008 0.000 2.065 938 E HA -0.253 4.087 4.350 -0.018 0.000 0.201 938 E C 1.345 177.935 176.600 -0.016 0.000 1.016 938 E CA 1.560 57.953 56.400 -0.012 0.000 0.818 938 E CB -0.029 29.667 29.700 -0.007 0.000 0.749 938 E HN 0.656 nan 8.360 nan 0.000 0.453 939 E N -0.590 119.604 120.200 -0.008 0.000 2.049 939 E HA -0.236 4.104 4.350 -0.018 0.000 0.198 939 E C 2.156 178.747 176.600 -0.015 0.000 1.007 939 E CA 1.551 57.948 56.400 -0.005 0.000 0.809 939 E CB -0.346 29.358 29.700 0.006 0.000 0.749 939 E HN 0.287 nan 8.360 nan 0.000 0.450 940 L N 1.540 122.755 121.223 -0.013 0.000 2.083 940 L HA -0.159 4.170 4.340 -0.018 0.000 0.209 940 L C 2.542 179.341 176.870 -0.118 0.000 1.083 940 L CA 1.763 56.584 54.840 -0.031 0.000 0.752 940 L CB -0.547 41.514 42.059 0.005 0.000 0.899 940 L HN 0.069 nan 8.230 nan 0.000 0.433 941 R N -1.344 119.105 120.500 -0.085 0.000 2.081 941 R HA -0.171 4.158 4.340 -0.018 0.000 0.235 941 R C 2.241 178.472 176.300 -0.115 0.000 1.131 941 R CA 1.371 57.411 56.100 -0.099 0.000 0.960 941 R CB -0.081 30.186 30.300 -0.054 0.000 0.856 941 R HN 0.446 nan 8.270 nan 0.000 0.436 942 Q N 0.821 120.572 119.800 -0.082 0.000 2.061 942 Q HA -0.186 4.143 4.340 -0.018 0.000 0.204 942 Q C 1.963 177.903 176.000 -0.099 0.000 0.984 942 Q CA 1.688 57.451 55.803 -0.066 0.000 0.846 942 Q CB -0.192 28.527 28.738 -0.032 0.000 0.902 942 Q HN 0.386 nan 8.270 nan 0.000 0.421 943 K N 0.175 120.494 120.400 -0.135 0.000 2.074 943 K HA -0.135 4.174 4.320 -0.018 0.000 0.209 943 K C 2.232 178.575 176.600 -0.430 0.000 1.048 943 K CA 1.171 57.351 56.287 -0.177 0.000 0.926 943 K CB -0.252 32.188 32.500 -0.099 0.000 0.713 943 K HN 0.171 nan 8.250 nan 0.000 0.444 944 I N 0.986 121.184 120.570 -0.621 0.000 2.202 944 I HA -0.277 3.882 4.170 -0.018 0.000 0.242 944 I C 2.269 178.297 176.117 -0.148 0.000 1.091 944 I CA 1.094 62.030 61.300 -0.606 0.000 1.368 944 I CB -0.170 37.538 38.000 -0.485 0.000 1.058 944 I HN 0.092 nan 8.210 nan 0.000 0.410 945 L N -0.233 120.926 121.223 -0.106 0.000 1.994 945 L HA -0.317 4.012 4.340 -0.018 0.000 0.208 945 L C 2.873 179.742 176.870 -0.002 0.000 1.071 945 L CA 1.470 56.290 54.840 -0.033 0.000 0.745 945 L CB -0.599 41.437 42.059 -0.038 0.000 0.892 945 L HN 0.511 nan 8.230 nan 0.000 0.431 946 C N -0.033 119.267 119.300 -0.001 0.000 2.367 946 C HA -0.309 4.140 4.460 -0.018 0.000 0.276 946 C C 2.804 177.831 174.990 0.062 0.000 1.195 946 C CA 1.293 60.327 59.018 0.027 0.000 1.756 946 C CB -0.996 26.768 27.740 0.040 0.000 2.046 946 C HN 0.593 nan 8.230 nan 0.000 0.453 947 F N 1.613 121.547 119.950 -0.026 0.000 2.091 947 F HA -0.144 4.373 4.527 -0.017 0.000 0.299 947 F C 2.395 178.212 175.800 0.029 0.000 1.103 947 F CA 2.451 60.480 58.000 0.047 0.000 1.228 947 F CB -0.521 38.561 39.000 0.137 0.000 0.984 947 F HN 0.217 nan 8.300 nan 0.000 0.477 948 K N 0.175 120.621 120.400 0.077 0.000 2.097 948 K HA -0.231 4.078 4.320 -0.018 0.000 0.206 948 K C 2.164 178.705 176.600 -0.098 0.000 1.049 948 K CA 1.595 57.873 56.287 -0.015 0.000 0.933 948 K CB -0.202 32.337 32.500 0.066 0.000 0.717 948 K HN 0.242 nan 8.250 nan 0.000 0.442 949 K N 0.942 121.299 120.400 -0.071 0.000 2.026 949 K HA -0.191 4.118 4.320 -0.018 0.000 0.208 949 K C 2.080 178.620 176.600 -0.101 0.000 1.048 949 K CA 1.488 57.736 56.287 -0.066 0.000 0.929 949 K CB 0.115 32.593 32.500 -0.037 0.000 0.713 949 K HN 0.083 nan 8.250 nan 0.000 0.439 950 Q N 0.657 120.370 119.800 -0.145 0.000 2.077 950 Q HA -0.208 4.122 4.340 -0.018 0.000 0.206 950 Q C 1.909 177.792 176.000 -0.194 0.000 0.989 950 Q CA 1.384 57.087 55.803 -0.168 0.000 0.853 950 Q CB -0.236 28.376 28.738 -0.210 0.000 0.907 950 Q HN 0.313 nan 8.270 nan 0.000 0.418 951 K N 0.877 121.107 120.400 -0.284 0.000 2.103 951 K HA -0.029 4.280 4.320 -0.018 0.000 0.204 951 K C 1.980 178.508 176.600 -0.120 0.000 1.052 951 K CA 0.473 56.622 56.287 -0.229 0.000 0.945 951 K CB -0.151 32.174 32.500 -0.291 0.000 0.722 951 K HN 0.082 nan 8.250 nan 0.000 0.443 952 K N 1.636 121.977 120.400 -0.098 0.000 2.148 952 K HA -0.132 4.177 4.320 -0.018 0.000 0.204 952 K C 1.570 178.141 176.600 -0.048 0.000 1.050 952 K CA 1.254 57.508 56.287 -0.056 0.000 0.942 952 K CB 0.232 32.707 32.500 -0.042 0.000 0.724 952 K HN -0.006 nan 8.250 nan 0.000 0.446 953 E N 0.493 120.659 120.200 -0.057 0.000 2.216 953 E HA -0.115 4.225 4.350 -0.018 0.000 0.192 953 E C 1.670 178.246 176.600 -0.039 0.000 0.988 953 E CA 0.901 57.275 56.400 -0.043 0.000 0.834 953 E CB 0.270 29.945 29.700 -0.043 0.000 0.772 953 E HN 0.442 nan 8.360 nan 0.000 0.479 954 E N -0.054 120.118 120.200 -0.046 0.000 2.115 954 E HA 0.221 4.560 4.350 -0.018 0.000 0.213 954 E C 0.849 177.430 176.600 -0.031 0.000 0.936 954 E CA 0.199 56.577 56.400 -0.037 0.000 0.947 954 E CB -0.493 29.183 29.700 -0.040 0.000 1.169 954 E HN 0.018 nan 8.360 nan 0.000 0.497 955 A N 0.000 122.800 122.820 -0.034 0.000 2.254 955 A HA 0.000 4.309 4.320 -0.018 0.000 0.244 955 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 955 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 955 A HN 0.000 nan 8.150 nan 0.000 0.486