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 3ixw_1_F DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.551 174.700 -0.248 0.000 1.109 1 T CA 0.000 62.029 62.100 -0.118 0.000 1.349 1 T CB 0.000 68.824 68.868 -0.074 0.000 0.612 2 V N 1.912 121.638 119.914 -0.313 0.000 2.759 2 V HA -0.138 nan 4.120 nan 0.000 0.256 2 V C 1.214 177.133 176.094 -0.291 0.000 1.080 2 V CA 2.454 64.503 62.300 -0.419 0.000 1.101 2 V CB -0.527 31.062 31.823 -0.389 0.000 0.698 2 V HN 0.562 8.605 8.190 -0.245 0.000 0.477 3 A N 0.180 122.891 122.820 -0.182 0.000 1.835 3 A HA -0.315 nan 4.320 nan 0.000 0.215 3 A C 0.529 178.062 177.584 -0.085 0.000 1.199 3 A CA 3.551 55.515 52.037 -0.121 0.000 0.615 3 A CB -0.856 18.099 19.000 -0.076 0.000 0.838 3 A HN -0.087 7.953 8.150 -0.162 0.013 0.444 4 D N -1.869 118.505 120.400 -0.043 0.000 2.263 4 D HA -0.272 nan 4.640 nan 0.000 0.208 4 D C 2.147 178.505 176.300 0.097 0.000 0.971 4 D CA 2.837 56.859 54.000 0.036 0.000 0.867 4 D CB -0.654 40.189 40.800 0.071 0.000 0.929 4 D HN 0.050 8.390 8.370 -0.049 0.000 0.492 5 K N 0.452 120.837 120.400 -0.025 0.000 2.001 5 K HA -0.481 nan 4.320 nan 0.000 0.214 5 K C 2.372 179.016 176.600 0.074 0.000 1.050 5 K CA 3.104 59.358 56.287 -0.055 0.000 0.934 5 K CB -0.183 31.736 32.500 -0.968 0.000 0.718 5 K HN -0.067 8.074 8.250 -0.149 0.019 0.443 6 Q N -2.241 117.508 119.800 -0.084 0.000 2.077 6 Q HA -0.333 nan 4.340 nan 0.000 0.206 6 Q C 2.491 178.501 176.000 0.016 0.000 0.989 6 Q CA 2.878 58.645 55.803 -0.059 0.000 0.853 6 Q CB -0.030 28.629 28.738 -0.131 0.000 0.907 6 Q HN -0.578 7.577 8.270 -0.192 0.000 0.418 7 A N -3.656 119.187 122.820 0.038 0.000 2.248 7 A HA -0.158 nan 4.320 nan 0.000 0.210 7 A C 0.795 178.457 177.584 0.130 0.000 1.174 7 A CA 1.604 53.685 52.037 0.074 0.000 0.750 7 A CB -0.683 18.353 19.000 0.060 0.000 0.780 7 A HN -0.063 8.034 8.150 0.011 0.060 0.478 8 R N -3.373 117.238 120.500 0.185 0.000 2.121 8 R HA 0.080 nan 4.340 nan 0.000 0.206 8 R C 1.906 178.345 176.300 0.232 0.000 1.094 8 R CA 2.100 58.327 56.100 0.212 0.000 1.055 8 R CB 0.647 31.099 30.300 0.254 0.000 0.964 8 R HN -0.599 7.637 8.270 0.207 0.158 0.473 9 L N 0.261 121.640 121.223 0.259 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.317 179.388 176.870 0.335 0.000 1.071 9 L CA 3.799 58.817 54.840 0.297 0.000 0.746 9 L CB -0.087 42.109 42.059 0.227 0.000 0.890 9 L HN -0.624 7.769 8.230 0.271 0.000 0.432 10 M N -2.719 116.957 119.600 0.127 0.000 2.117 10 M HA -0.281 nan 4.480 nan 0.000 0.262 10 M C -1.093 175.439 176.300 0.386 0.000 1.065 10 M CA 5.643 61.013 55.300 0.118 0.000 1.114 10 M CB -2.439 29.980 32.600 -0.301 0.000 1.361 10 M HN -0.552 7.775 8.290 0.061 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.327 177.776 177.300 0.248 0.000 1.151 11 P CA 2.955 66.208 63.100 0.254 0.000 0.849 11 P CB -0.605 31.207 31.700 0.186 0.000 0.787 12 L N -5.494 115.897 121.223 0.280 0.000 2.093 12 L HA -0.221 nan 4.340 nan 0.000 0.208 12 L C 1.541 178.520 176.870 0.183 0.000 1.085 12 L CA 1.929 56.893 54.840 0.207 0.000 0.755 12 L CB -0.019 42.158 42.059 0.196 0.000 0.904 12 L HN -0.748 7.581 8.230 0.308 0.086 0.435 13 F N -4.281 115.774 119.950 0.175 0.000 2.802 13 F HA -0.141 nan 4.527 nan 0.000 0.300 13 F C 0.530 176.399 175.800 0.116 0.000 1.168 13 F CA 1.256 59.367 58.000 0.185 0.000 1.433 13 F CB -0.215 38.960 39.000 0.291 0.000 1.115 13 F HN -0.570 8.134 8.300 0.798 0.075 0.582 14 K N 0.689 121.237 120.400 0.246 0.000 2.110 14 K HA -0.144 nan 4.320 nan 0.000 0.260 14 K C -1.347 175.058 176.600 -0.325 0.000 1.126 14 K CA 0.657 56.861 56.287 -0.138 0.000 1.005 14 K CB -1.300 31.170 32.500 -0.050 0.000 1.336 14 K HN -0.224 8.077 8.250 0.352 0.161 0.369 15 H N -1.520 117.528 119.070 -0.037 0.000 3.138 15 H HA -0.370 nan 4.556 nan 0.000 0.337 15 H C -0.148 175.120 175.328 -0.099 0.000 1.347 15 H CA -0.274 55.717 56.048 -0.094 0.000 1.254 15 H CB -3.340 26.346 29.762 -0.126 0.000 1.456 15 H HN 0.269 8.317 8.280 -0.343 0.026 0.453 16 L N 0.419 121.589 121.223 -0.089 0.000 1.934 16 L HA -0.323 nan 4.340 nan 0.000 0.227 16 L C 1.446 178.249 176.870 -0.113 0.000 1.084 16 L CA 2.935 57.670 54.840 -0.176 0.000 0.790 16 L CB -0.352 41.535 42.059 -0.287 0.000 0.896 16 L HN -0.117 8.043 8.230 -0.118 0.000 0.437 17 T N -1.800 112.713 114.554 -0.068 0.000 3.202 17 T HA -0.230 nan 4.350 nan 0.000 0.267 17 T C 1.080 175.773 174.700 -0.012 0.000 1.183 17 T CA 2.391 64.496 62.100 0.008 0.000 1.055 17 T CB -1.667 67.269 68.868 0.114 0.000 0.898 17 T HN 0.348 8.517 8.240 -0.117 0.000 0.555 18 A N 2.107 124.910 122.820 -0.028 0.000 1.872 18 A HA -0.020 nan 4.320 nan 0.000 0.214 18 A C 0.973 178.529 177.584 -0.045 0.000 1.187 18 A CA 2.368 54.384 52.037 -0.035 0.000 0.614 18 A CB -0.146 18.830 19.000 -0.039 0.000 0.826 18 A HN -0.155 7.881 8.150 -0.030 0.096 0.442 19 L N -3.862 117.328 121.223 -0.054 0.000 2.653 19 L HA 0.143 nan 4.340 nan 0.000 0.232 19 L C 0.129 176.951 176.870 -0.080 0.000 1.169 19 L CA -0.917 53.885 54.840 -0.063 0.000 0.951 19 L CB -0.426 41.596 42.059 -0.062 0.000 1.181 19 L HN -0.134 8.063 8.230 -0.055 0.000 0.460 20 T N -1.153 113.355 114.554 -0.076 0.000 2.795 20 T HA -0.259 nan 4.350 nan 0.000 0.266 20 T C 0.215 174.864 174.700 -0.084 0.000 1.056 20 T CA 2.554 64.604 62.100 -0.084 0.000 1.141 20 T CB -0.064 68.774 68.868 -0.049 0.000 0.840 20 T HN -0.484 7.665 8.240 -0.064 0.053 0.493 21 R N -0.055 120.404 120.500 -0.068 0.000 2.278 21 R HA 0.249 nan 4.340 nan 0.000 0.322 21 R C -0.967 175.293 176.300 -0.066 0.000 1.058 21 R CA -0.392 55.670 56.100 -0.063 0.000 0.991 21 R CB 0.502 30.773 30.300 -0.048 0.000 1.140 21 R HN -0.212 7.948 8.270 -0.062 0.073 0.518 22 E N 4.063 124.217 120.200 -0.077 0.000 2.316 22 E HA 0.306 nan 4.350 nan 0.000 0.258 22 E C -1.185 175.379 176.600 -0.060 0.000 0.952 22 E CA -2.414 53.944 56.400 -0.069 0.000 0.818 22 E CB 4.225 33.877 29.700 -0.079 0.000 1.260 22 E HN 0.372 8.588 8.360 -0.089 0.090 0.416 23 K N 1.405 121.776 120.400 -0.049 0.000 2.167 23 K HA -0.017 nan 4.320 nan 0.000 0.275 23 K C -1.017 175.559 176.600 -0.039 0.000 1.103 23 K CA 0.680 56.944 56.287 -0.039 0.000 0.963 23 K CB -0.574 31.908 32.500 -0.030 0.000 1.243 23 K HN 0.379 8.600 8.250 -0.048 0.000 0.407 24 L N 5.914 127.112 121.223 -0.041 0.000 2.356 24 L HA 0.316 nan 4.340 nan 0.000 0.277 24 L C -1.571 175.282 176.870 -0.029 0.000 0.996 24 L CA -3.543 51.276 54.840 -0.035 0.000 0.822 24 L CB 1.143 43.178 42.059 -0.042 0.000 1.256 24 L HN -0.428 7.730 8.230 -0.046 0.044 0.413 25 P HA -0.064 nan 4.420 nan 0.000 0.215 25 P C -1.196 176.093 177.300 -0.019 0.000 1.153 25 P CA 1.466 64.554 63.100 -0.019 0.000 0.853 25 P CB 0.364 32.055 31.700 -0.015 0.000 0.788 26 L N -2.410 118.801 121.223 -0.020 0.000 2.513 26 L HA 0.232 nan 4.340 nan 0.000 0.261 26 L C 0.203 177.059 176.870 -0.024 0.000 0.945 26 L CA -1.307 53.521 54.840 -0.020 0.000 0.848 26 L CB 2.941 44.991 42.059 -0.015 0.000 1.334 26 L HN -0.774 7.444 8.230 -0.019 0.000 0.407 27 D N 2.827 123.210 120.400 -0.029 0.000 2.286 27 D HA -0.506 nan 4.640 nan 0.000 0.195 27 D C 0.918 177.203 176.300 -0.026 0.000 1.012 27 D CA 3.202 57.182 54.000 -0.033 0.000 0.901 27 D CB -0.299 40.482 40.800 -0.032 0.000 0.903 27 D HN 0.545 8.898 8.370 -0.028 0.000 0.451 28 Q N -0.888 118.902 119.800 -0.018 0.000 2.268 28 Q HA -0.378 nan 4.340 nan 0.000 0.213 28 Q C 2.216 178.211 176.000 -0.009 0.000 0.995 28 Q CA 2.503 58.299 55.803 -0.011 0.000 0.901 28 Q CB -1.197 27.536 28.738 -0.008 0.000 0.921 28 Q HN 0.231 8.447 8.270 -0.017 0.043 0.421 29 R N -1.152 119.341 120.500 -0.011 0.000 2.159 29 R HA -0.352 nan 4.340 nan 0.000 0.252 29 R C 1.493 177.790 176.300 -0.005 0.000 1.144 29 R CA 2.018 58.115 56.100 -0.006 0.000 0.961 29 R CB -0.302 29.993 30.300 -0.008 0.000 0.877 29 R HN -0.623 7.609 8.270 -0.014 0.030 0.444 30 D N -1.663 118.728 120.400 -0.015 0.000 2.590 30 D HA 0.334 nan 4.640 nan 0.000 0.280 30 D C -0.227 176.067 176.300 -0.010 0.000 1.197 30 D CA -0.625 53.366 54.000 -0.015 0.000 0.967 30 D CB -0.196 40.586 40.800 -0.031 0.000 0.987 30 D HN -0.270 8.070 8.370 -0.021 0.018 0.508 31 E N 1.914 122.112 120.200 -0.003 0.000 2.164 31 E HA -0.521 nan 4.350 nan 0.000 0.206 31 E C 1.562 178.163 176.600 0.002 0.000 1.032 31 E CA 3.545 59.945 56.400 0.000 0.000 0.832 31 E CB -0.561 29.142 29.700 0.004 0.000 0.742 31 E HN -0.306 7.985 8.360 -0.002 0.067 0.460 32 R N -3.481 117.021 120.500 0.004 0.000 2.174 32 R HA -0.305 nan 4.340 nan 0.000 0.253 32 R C 1.182 177.484 176.300 0.003 0.000 1.165 32 R CA 2.034 58.138 56.100 0.006 0.000 0.984 32 R CB -0.209 30.096 30.300 0.008 0.000 0.873 32 R HN 0.124 8.407 8.270 0.004 -0.011 0.456 33 L N -4.834 116.386 121.223 -0.005 0.000 2.616 33 L HA 0.237 nan 4.340 nan 0.000 0.229 33 L C 0.196 177.061 176.870 -0.009 0.000 1.110 33 L CA -0.821 54.014 54.840 -0.009 0.000 0.884 33 L CB 0.270 42.318 42.059 -0.018 0.000 1.115 33 L HN 0.105 8.220 8.230 -0.009 0.110 0.481 34 K N -0.348 120.049 120.400 -0.005 0.000 2.859 34 K HA -0.464 nan 4.320 nan 0.000 0.200 34 K C 1.329 177.929 176.600 0.000 0.000 0.923 34 K CA 2.560 58.846 56.287 -0.002 0.000 0.831 34 K CB -1.521 30.980 32.500 0.003 0.000 1.414 34 K HN -0.394 7.734 8.250 -0.005 0.119 0.535 35 G N -4.352 104.450 108.800 0.003 0.000 2.944 35 G HA2 0.056 nan 3.960 nan 0.000 0.220 35 G HA3 0.056 nan 3.960 nan 0.000 0.220 35 G C -1.307 173.600 174.900 0.012 0.000 1.100 35 G CA -0.346 44.760 45.100 0.011 0.000 0.780 35 G HN -0.285 7.929 8.290 0.001 0.077 0.539 36 V N 1.658 121.572 119.914 -0.001 0.000 2.223 36 V HA 0.212 nan 4.120 nan 0.000 0.249 36 V C -0.903 175.178 176.094 -0.021 0.000 1.233 36 V CA -0.502 61.793 62.300 -0.008 0.000 1.131 36 V CB -1.929 29.876 31.823 -0.031 0.000 1.298 36 V HN -0.395 7.791 8.190 -0.007 0.000 0.498 37 G N 7.937 116.732 108.800 -0.007 0.000 2.989 37 G HA2 0.246 nan 3.960 nan 0.000 0.221 37 G HA3 0.246 nan 3.960 nan 0.000 0.221 37 G C 0.272 175.168 174.900 -0.007 0.000 1.050 37 G CA 0.466 45.556 45.100 -0.017 0.000 0.913 37 G HN 0.019 8.265 8.290 0.008 0.049 0.587 38 I N -2.292 118.289 120.570 0.019 0.000 3.749 38 I HA 0.011 nan 4.170 nan 0.000 0.314 38 I C -0.819 175.332 176.117 0.057 0.000 1.267 38 I CA 0.211 61.536 61.300 0.042 0.000 1.169 38 I CB -0.538 37.500 38.000 0.064 0.000 1.009 38 I HN -0.368 7.859 8.210 0.028 0.000 0.444 39 L N 2.754 123.982 121.223 0.007 0.000 2.387 39 L HA 0.508 nan 4.340 nan 0.000 0.259 39 L C -2.531 174.305 176.870 -0.057 0.000 1.050 39 L CA -3.136 51.679 54.840 -0.041 0.000 0.922 39 L CB 1.886 43.836 42.059 -0.182 0.000 1.280 39 L HN -0.567 7.584 8.230 -0.014 0.071 0.449 40 P HA 0.313 nan 4.420 nan 0.000 0.288 40 P C -1.150 176.127 177.300 -0.037 0.000 1.363 40 P CA -0.829 62.250 63.100 -0.036 0.000 0.837 40 P CB -0.137 31.551 31.700 -0.021 0.000 0.981 41 R N 4.553 125.022 120.500 -0.051 0.000 3.657 41 R HA -0.379 nan 4.340 nan 0.000 0.533 41 R C 0.227 176.508 176.300 -0.032 0.000 0.241 41 R CA 1.283 57.355 56.100 -0.045 0.000 1.659 41 R CB -2.175 28.102 30.300 -0.039 0.000 0.920 41 R HN -0.108 8.123 8.270 -0.063 0.000 0.599 42 G N 1.648 110.438 108.800 -0.017 0.000 3.263 42 G HA2 0.000 nan 3.960 nan 0.000 0.246 42 G HA3 0.000 nan 3.960 nan 0.000 0.246 42 G C -0.766 174.134 174.900 -0.001 0.000 0.982 42 G CA -0.205 44.891 45.100 -0.006 0.000 1.897 42 G HN 0.405 8.686 8.290 -0.015 0.000 0.624 43 T N -0.165 114.389 114.554 0.000 0.000 2.794 43 T HA 0.056 nan 4.350 nan 0.000 0.304 43 T C 0.773 175.494 174.700 0.034 0.000 0.973 43 T CA -1.021 61.091 62.100 0.020 0.000 0.972 43 T CB 0.588 69.469 68.868 0.021 0.000 0.952 43 T HN -0.489 7.651 8.240 -0.011 0.093 0.509 44 L N 6.202 127.452 121.223 0.044 0.000 2.949 44 L HA -0.112 nan 4.340 nan 0.000 0.263 44 L C -0.195 176.722 176.870 0.079 0.000 1.190 44 L CA -0.135 54.725 54.840 0.034 0.000 1.022 44 L CB -1.479 40.575 42.059 -0.009 0.000 1.313 44 L HN 0.422 8.685 8.230 0.054 0.000 0.413 45 F N -1.580 118.314 119.950 -0.093 0.000 2.121 45 F HA -0.391 nan 4.527 nan 0.000 0.470 45 F C -1.688 174.081 175.800 -0.051 0.000 1.232 45 F CA 0.116 58.039 58.000 -0.128 0.000 1.518 45 F CB -0.237 38.656 39.000 -0.178 0.000 2.410 45 F HN -0.657 7.730 8.300 0.146 0.000 0.729 46 S N 5.544 121.141 115.700 -0.172 0.000 2.422 46 S HA 0.222 nan 4.470 nan 0.000 0.298 46 S C 1.568 175.709 174.600 -0.766 0.000 1.118 46 S CA -1.410 56.588 58.200 -0.337 0.000 1.083 46 S CB 1.173 64.335 63.200 -0.064 0.000 0.971 46 S HN 0.321 8.738 8.310 0.178 0.000 0.478 47 C N 9.302 127.868 119.300 -1.223 0.000 2.419 47 C HA -0.182 nan 4.460 nan 0.000 0.283 47 C C 0.637 174.971 174.990 -1.094 0.000 1.373 47 C CA 2.279 60.407 59.018 -1.484 0.000 1.781 47 C CB -1.136 25.717 27.740 -1.478 0.000 1.886 47 C HN 1.121 8.770 8.230 -0.969 0.000 0.520 48 F N -5.232 114.522 119.950 -0.326 0.000 2.695 48 F HA 0.147 nan 4.527 nan 0.000 0.303 48 F C -0.535 175.073 175.800 -0.320 0.000 1.091 48 F CA -0.753 57.039 58.000 -0.348 0.000 1.300 48 F CB -0.081 38.719 39.000 -0.333 0.000 1.071 48 F HN -0.662 7.315 8.300 -0.489 0.029 0.578 49 H N 2.074 121.099 119.070 -0.075 0.000 3.026 49 H HA -0.081 nan 4.556 nan 0.000 0.289 49 H C 0.888 176.204 175.328 -0.021 0.000 1.022 49 H CA 0.351 56.402 56.048 0.004 0.000 1.477 49 H CB 1.233 30.984 29.762 -0.018 0.000 1.510 49 H HN -0.725 7.447 8.280 0.013 0.116 0.535 50 A N 8.067 130.663 122.820 -0.373 0.000 1.927 50 A HA -0.436 nan 4.320 nan 0.000 0.220 50 A C 1.674 179.244 177.584 -0.022 0.000 1.185 50 A CA 3.414 55.399 52.037 -0.085 0.000 0.639 50 A CB -0.259 18.853 19.000 0.186 0.000 0.820 50 A HN 0.550 8.583 8.150 -0.393 -0.119 0.451 51 R N -3.260 117.207 120.500 -0.054 0.000 2.120 51 R HA -0.352 nan 4.340 nan 0.000 0.234 51 R C 2.211 178.568 176.300 0.096 0.000 1.123 51 R CA 2.969 59.085 56.100 0.027 0.000 0.975 51 R CB -0.840 29.479 30.300 0.032 0.000 0.866 51 R HN 0.076 8.194 8.270 -0.209 0.026 0.446 52 H N -0.412 118.785 119.070 0.211 0.000 2.470 52 H HA -0.048 nan 4.556 nan 0.000 0.289 52 H C 2.805 178.228 175.328 0.158 0.000 1.033 52 H CA 1.830 58.005 56.048 0.211 0.000 1.331 52 H CB -0.407 29.600 29.762 0.409 0.000 1.414 52 H HN 0.212 8.496 8.280 0.062 0.034 0.545 53 L N -0.620 120.746 121.223 0.238 0.000 2.072 53 L HA -0.317 nan 4.340 nan 0.000 0.205 53 L C 1.575 178.533 176.870 0.146 0.000 1.079 53 L CA 2.579 57.525 54.840 0.177 0.000 0.752 53 L CB -0.608 41.518 42.059 0.113 0.000 0.906 53 L HN -0.653 7.694 8.230 0.195 0.000 0.436 54 A N -0.700 122.192 122.820 0.120 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.108 179.735 177.584 0.071 0.000 1.191 54 A CA 3.270 55.366 52.037 0.098 0.000 0.623 54 A CB -1.106 17.947 19.000 0.088 0.000 0.826 54 A HN -0.448 7.769 8.150 0.113 0.000 0.444 55 E N -1.664 118.585 120.200 0.081 0.000 2.070 55 E HA -0.436 nan 4.350 nan 0.000 0.197 55 E C 2.509 179.079 176.600 -0.049 0.000 1.004 55 E CA 2.970 59.397 56.400 0.044 0.000 0.805 55 E CB -0.125 29.637 29.700 0.102 0.000 0.744 55 E HN 0.319 8.641 8.360 0.119 0.109 0.451 56 A N -2.061 120.703 122.820 -0.094 0.000 2.019 56 A HA -0.183 nan 4.320 nan 0.000 0.219 56 A C 2.113 179.373 177.584 -0.540 0.000 1.164 56 A CA 2.888 54.708 52.037 -0.362 0.000 0.644 56 A CB -0.689 18.101 19.000 -0.351 0.000 0.805 56 A HN -0.081 7.950 8.150 0.001 0.119 0.449 57 T N 0.437 114.926 114.554 -0.109 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.736 176.473 174.700 0.062 0.000 1.093 57 T CA 3.679 65.857 62.100 0.129 0.000 1.129 57 T CB -0.702 68.315 68.868 0.248 0.000 0.899 57 T HN -0.056 8.024 8.240 -0.004 0.158 0.491 58 E N 2.682 122.883 120.200 0.001 0.000 2.049 58 E HA -0.339 nan 4.350 nan 0.000 0.198 58 E C 1.621 178.208 176.600 -0.022 0.000 1.007 58 E CA 3.324 59.724 56.400 -0.000 0.000 0.809 58 E CB -0.576 29.119 29.700 -0.008 0.000 0.749 58 E HN -0.425 7.934 8.360 -0.001 0.000 0.450 59 L N -1.244 119.909 121.223 -0.117 0.000 2.093 59 L HA -0.338 nan 4.340 nan 0.000 0.208 59 L C 2.422 179.251 176.870 -0.068 0.000 1.085 59 L CA 3.777 58.537 54.840 -0.133 0.000 0.755 59 L CB -0.250 41.672 42.059 -0.228 0.000 0.904 59 L HN -0.671 7.375 8.230 -0.168 0.083 0.435 60 Y N -2.275 118.090 120.300 0.108 0.000 2.163 60 Y HA -0.386 nan 4.550 nan 0.000 0.288 60 Y C 2.351 178.394 175.900 0.238 0.000 1.136 60 Y CA 3.265 61.479 58.100 0.190 0.000 1.147 60 Y CB -1.462 37.121 38.460 0.206 0.000 0.987 60 Y HN 0.212 8.119 8.280 -0.304 0.190 0.509 61 V N -4.088 115.984 119.914 0.262 0.000 2.427 61 V HA -0.391 nan 4.120 nan 0.000 0.248 61 V C 1.733 177.915 176.094 0.146 0.000 1.051 61 V CA 2.554 64.960 62.300 0.177 0.000 1.048 61 V CB -1.364 30.514 31.823 0.091 0.000 0.666 61 V HN -0.129 8.181 8.190 0.200 0.000 0.456 62 A N 0.814 123.695 122.820 0.102 0.000 1.841 62 A HA -0.279 nan 4.320 nan 0.000 0.216 62 A C 2.165 179.795 177.584 0.077 0.000 1.199 62 A CA 2.979 55.058 52.037 0.070 0.000 0.621 62 A CB -0.610 18.411 19.000 0.036 0.000 0.835 62 A HN -0.060 8.141 8.150 0.085 0.000 0.445 63 L N -1.989 119.268 121.223 0.056 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.367 179.203 176.870 -0.057 0.000 1.092 63 L CA 2.605 57.433 54.840 -0.020 0.000 0.759 63 L CB -0.659 41.346 42.059 -0.090 0.000 0.903 63 L HN 0.065 8.224 8.230 0.070 0.113 0.435 64 Y N -3.066 117.280 120.300 0.076 0.000 2.274 64 Y HA -0.279 nan 4.550 nan 0.000 0.290 64 Y C 1.931 177.849 175.900 0.029 0.000 1.145 64 Y CA 2.333 60.455 58.100 0.038 0.000 1.203 64 Y CB -0.204 38.242 38.460 -0.023 0.000 0.984 64 Y HN -0.382 8.027 8.280 0.216 0.000 0.533 65 G N -1.517 107.385 108.800 0.169 0.000 3.102 65 G HA2 -0.069 nan 3.960 nan 0.000 0.264 65 G HA3 -0.069 nan 3.960 nan 0.000 0.264 65 G C -1.883 173.065 174.900 0.081 0.000 0.788 65 G CA -0.492 44.672 45.100 0.105 0.000 2.029 65 G HN -0.405 7.840 8.290 0.159 0.141 0.608 66 A N 1.847 124.718 122.820 0.085 0.000 2.274 66 A HA 0.393 nan 4.320 nan 0.000 0.297 66 A C -0.742 176.877 177.584 0.057 0.000 1.191 66 A CA -0.966 51.114 52.037 0.072 0.000 0.889 66 A CB 1.381 20.431 19.000 0.083 0.000 1.294 66 A HN -0.145 8.010 8.150 0.100 0.055 0.506 67 K N -1.066 119.364 120.400 0.050 0.000 2.253 67 K HA 0.073 nan 4.320 nan 0.000 0.225 67 K C -0.422 176.211 176.600 0.056 0.000 1.037 67 K CA 0.549 56.865 56.287 0.048 0.000 0.928 67 K CB 0.949 33.474 32.500 0.042 0.000 1.057 67 K HN 0.489 8.946 8.250 0.048 -0.178 0.462 68 D N -3.790 116.643 120.400 0.054 0.000 2.798 68 D HA 0.022 nan 4.640 nan 0.000 0.308 68 D C 0.017 176.347 176.300 0.050 0.000 1.187 68 D CA -1.084 52.970 54.000 0.090 0.000 1.033 68 D CB 1.042 41.910 40.800 0.113 0.000 1.445 68 D HN -0.569 7.824 8.370 0.037 0.000 0.550 69 F N -0.435 119.566 119.950 0.087 0.000 2.202 69 F HA -0.294 nan 4.527 nan 0.000 0.301 69 F C 1.077 176.996 175.800 0.199 0.000 1.082 69 F CA 3.161 61.239 58.000 0.130 0.000 1.313 69 F CB 0.456 39.500 39.000 0.073 0.000 1.024 69 F HN 0.233 8.751 8.300 0.363 0.000 0.495 70 N N -1.052 117.590 118.700 -0.096 0.000 2.132 70 N HA -0.253 nan 4.740 nan 0.000 0.187 70 N C 1.564 176.986 175.510 -0.145 0.000 1.038 70 N CA 2.989 55.975 53.050 -0.107 0.000 0.846 70 N CB -0.322 38.188 38.487 0.039 0.000 1.012 70 N HN -0.565 8.233 8.380 0.082 -0.369 0.429 71 D N 0.830 121.194 120.400 -0.059 0.000 2.182 71 D HA -0.284 nan 4.640 nan 0.000 0.201 71 D C 1.926 178.181 176.300 -0.076 0.000 0.986 71 D CA 3.092 57.078 54.000 -0.022 0.000 0.847 71 D CB 0.086 40.898 40.800 0.019 0.000 0.942 71 D HN -0.412 8.275 8.370 -0.021 -0.330 0.467 72 F N 0.664 120.423 119.950 -0.319 0.000 2.091 72 F HA -0.386 nan 4.527 nan 0.000 0.299 72 F C 1.320 176.867 175.800 -0.422 0.000 1.103 72 F CA 3.411 61.163 58.000 -0.413 0.000 1.228 72 F CB 0.090 38.703 39.000 -0.645 0.000 0.984 72 F HN -0.083 8.184 8.300 -0.055 0.000 0.477 73 I N -2.047 118.084 120.570 -0.731 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.971 177.887 176.117 -0.336 0.000 1.102 73 I CA 2.240 63.159 61.300 -0.635 0.000 1.385 73 I CB -1.569 36.146 38.000 -0.475 0.000 1.064 73 I HN -0.470 7.272 8.210 -0.618 0.097 0.414 74 H N 1.317 120.235 119.070 -0.254 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.312 177.559 175.328 -0.134 0.000 1.087 74 H CA 3.530 59.487 56.048 -0.150 0.000 1.319 74 H CB 0.050 29.752 29.762 -0.099 0.000 1.379 74 H HN -0.438 7.691 8.280 -0.128 0.074 0.501 75 L N -1.148 119.831 121.223 -0.407 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.576 178.307 176.870 -0.231 0.000 1.075 75 L CA 3.628 58.271 54.840 -0.328 0.000 0.752 75 L CB -0.517 41.433 42.059 -0.182 0.000 0.891 75 L HN -0.122 7.955 8.230 -0.254 0.000 0.432 76 C N -1.765 117.387 119.300 -0.247 0.000 2.432 76 C HA -0.375 nan 4.460 nan 0.000 0.280 76 C C 2.271 177.253 174.990 -0.012 0.000 1.353 76 C CA 3.081 62.112 59.018 0.021 0.000 1.766 76 C CB -2.210 25.359 27.740 -0.285 0.000 1.924 76 C HN -0.256 7.648 8.230 -0.414 0.078 0.509 77 E N 0.538 120.642 120.200 -0.160 0.000 2.031 77 E HA -0.449 nan 4.350 nan 0.000 0.193 77 E C 1.694 178.165 176.600 -0.216 0.000 0.994 77 E CA 3.270 59.587 56.400 -0.138 0.000 0.800 77 E CB -0.313 29.354 29.700 -0.056 0.000 0.752 77 E HN 0.142 8.274 8.360 -0.225 0.093 0.447 78 Q N -1.057 118.560 119.800 -0.305 0.000 1.969 78 Q HA -0.209 nan 4.340 nan 0.000 0.198 78 Q C 2.578 178.420 176.000 -0.263 0.000 0.978 78 Q CA 2.708 58.350 55.803 -0.269 0.000 0.830 78 Q CB 0.311 28.844 28.738 -0.343 0.000 0.896 78 Q HN -0.305 7.711 8.270 -0.424 0.000 0.431 79 A N -0.981 121.690 122.820 -0.248 0.000 1.978 79 A HA -0.302 nan 4.320 nan 0.000 0.220 79 A C 1.927 179.206 177.584 -0.508 0.000 1.170 79 A CA 3.140 55.035 52.037 -0.238 0.000 0.636 79 A CB -0.985 18.003 19.000 -0.022 0.000 0.810 79 A HN 0.116 8.142 8.150 -0.206 0.000 0.448 80 R N -2.111 117.823 120.500 -0.943 0.000 2.127 80 R HA -0.316 nan 4.340 nan 0.000 0.238 80 R C 2.211 178.193 176.300 -0.531 0.000 1.134 80 R CA 2.663 58.073 56.100 -1.150 0.000 0.975 80 R CB -0.364 29.298 30.300 -1.064 0.000 0.865 80 R HN 0.091 7.852 8.270 -0.790 0.034 0.447 81 Q N -2.882 116.708 119.800 -0.350 0.000 2.368 81 Q HA -0.243 nan 4.340 nan 0.000 0.210 81 Q C 1.116 177.010 176.000 -0.177 0.000 0.982 81 Q CA 2.662 58.334 55.803 -0.217 0.000 0.884 81 Q CB 0.200 28.844 28.738 -0.156 0.000 0.933 81 Q HN -0.064 7.854 8.270 -0.348 0.143 0.460 82 I N -5.233 115.221 120.570 -0.193 0.000 4.433 82 I HA 0.047 nan 4.170 nan 0.000 0.322 82 I C -2.232 173.799 176.117 -0.144 0.000 1.284 82 I CA -0.194 61.022 61.300 -0.141 0.000 1.269 82 I CB 2.066 40.000 38.000 -0.110 0.000 1.219 82 I HN -0.695 7.321 8.210 -0.244 0.048 0.436 83 V N -5.496 114.305 119.914 -0.188 0.000 3.083 83 V HA 0.052 nan 4.120 nan 0.000 0.306 83 V C -0.611 175.411 176.094 -0.120 0.000 1.077 83 V CA -2.614 59.599 62.300 -0.146 0.000 1.073 83 V CB 0.534 32.287 31.823 -0.116 0.000 1.081 83 V HN -1.001 7.029 8.190 -0.267 0.000 0.474 84 N N -0.118 118.508 118.700 -0.124 0.000 2.399 84 N HA -0.197 nan 4.740 nan 0.000 0.284 84 N C 1.352 176.836 175.510 -0.043 0.000 1.283 84 N CA 0.378 53.358 53.050 -0.117 0.000 0.972 84 N CB -0.449 37.907 38.487 -0.217 0.000 1.328 84 N HN 0.328 8.618 8.380 -0.151 0.000 0.486 85 E N 6.106 126.319 120.200 0.022 0.000 2.169 85 E HA -0.406 nan 4.350 nan 0.000 0.202 85 E C 1.769 178.506 176.600 0.228 0.000 1.016 85 E CA 2.916 59.399 56.400 0.137 0.000 0.817 85 E CB -1.405 28.373 29.700 0.130 0.000 0.736 85 E HN 0.226 8.582 8.360 -0.007 0.000 0.462 86 G N -0.888 107.996 108.800 0.139 0.000 2.469 86 G HA2 -0.283 nan 3.960 nan 0.000 0.219 86 G HA3 -0.283 nan 3.960 nan 0.000 0.219 86 G C 1.524 176.576 174.900 0.254 0.000 1.150 86 G CA 1.761 46.965 45.100 0.174 0.000 0.763 86 G HN 0.338 8.658 8.290 0.075 0.015 0.561 87 M N 1.937 121.554 119.600 0.030 0.000 2.156 87 M HA -0.288 nan 4.480 nan 0.000 0.264 87 M C 0.980 177.387 176.300 0.179 0.000 1.067 87 M CA 3.235 58.512 55.300 -0.038 0.000 1.131 87 M CB 0.112 32.482 32.600 -0.382 0.000 1.368 87 M HN -0.125 8.006 8.290 -0.080 0.111 0.416 88 F N -0.086 119.893 119.950 0.047 0.000 2.069 88 F HA -0.427 nan 4.527 nan 0.000 0.298 88 F C 1.450 177.381 175.800 0.219 0.000 1.113 88 F CA 4.372 62.422 58.000 0.083 0.000 1.214 88 F CB -0.096 38.913 39.000 0.016 0.000 0.978 88 F HN -0.524 7.870 8.300 0.256 0.059 0.474 89 V N -0.507 119.637 119.914 0.383 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.032 177.418 176.094 0.486 0.000 1.059 89 V CA 4.179 66.766 62.300 0.477 0.000 1.051 89 V CB -0.905 31.322 31.823 0.673 0.000 0.658 89 V HN 0.462 8.931 8.190 0.465 0.000 0.455 90 Y N 0.576 121.107 120.300 0.386 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.261 177.292 175.900 0.218 0.000 1.146 90 Y CA 4.065 62.359 58.100 0.323 0.000 1.182 90 Y CB -0.354 38.250 38.460 0.239 0.000 0.983 90 Y HN -0.503 8.062 8.280 0.606 0.078 0.524 91 A N -1.197 121.774 122.820 0.251 0.000 1.874 91 A HA -0.288 nan 4.320 nan 0.000 0.214 91 A C 1.806 179.379 177.584 -0.019 0.000 1.189 91 A CA 3.060 55.174 52.037 0.127 0.000 0.615 91 A CB -0.487 18.496 19.000 -0.029 0.000 0.830 91 A HN 0.186 8.393 8.150 0.251 0.094 0.443 92 V N -4.246 115.589 119.914 -0.131 0.000 2.515 92 V HA -0.415 nan 4.120 nan 0.000 0.250 92 V C 1.838 177.998 176.094 0.110 0.000 1.058 92 V CA 3.659 65.934 62.300 -0.041 0.000 1.064 92 V CB -1.273 30.485 31.823 -0.107 0.000 0.675 92 V HN 0.366 8.420 8.190 -0.227 0.000 0.461 93 S N 0.009 115.785 115.700 0.128 0.000 2.414 93 S HA -0.247 nan 4.470 nan 0.000 0.227 93 S C 2.017 176.627 174.600 0.017 0.000 1.022 93 S CA 3.276 61.538 58.200 0.104 0.000 0.958 93 S CB 0.066 63.393 63.200 0.212 0.000 0.797 93 S HN -0.022 8.280 8.310 0.164 0.106 0.493 94 V N 1.991 121.909 119.914 0.007 0.000 2.515 94 V HA -0.354 nan 4.120 nan 0.000 0.250 94 V C 1.493 177.727 176.094 0.234 0.000 1.058 94 V CA 3.235 65.604 62.300 0.116 0.000 1.064 94 V CB -0.959 30.937 31.823 0.120 0.000 0.675 94 V HN -0.256 7.927 8.190 -0.011 0.000 0.461 95 A N 0.015 122.880 122.820 0.075 0.000 1.855 95 A HA -0.196 nan 4.320 nan 0.000 0.215 95 A C 1.289 178.882 177.584 0.015 0.000 1.191 95 A CA 3.819 55.859 52.037 0.004 0.000 0.613 95 A CB -0.221 18.783 19.000 0.006 0.000 0.829 95 A HN 0.181 8.355 8.150 0.041 0.000 0.442 96 V N -2.475 117.481 119.914 0.071 0.000 3.620 96 V HA -0.036 nan 4.120 nan 0.000 0.286 96 V C 0.123 176.192 176.094 -0.042 0.000 1.288 96 V CA 1.246 63.598 62.300 0.087 0.000 1.178 96 V CB -1.179 30.828 31.823 0.306 0.000 0.986 96 V HN -0.065 8.086 8.190 0.108 0.105 0.431 97 L N -2.179 118.939 121.223 -0.174 0.000 2.253 97 L HA -0.124 nan 4.340 nan 0.000 0.205 97 L C 0.492 177.119 176.870 -0.406 0.000 1.078 97 L CA 2.169 56.754 54.840 -0.426 0.000 0.805 97 L CB 0.957 42.515 42.059 -0.834 0.000 0.963 97 L HN -0.708 7.403 8.230 -0.135 0.038 0.459 98 H N -7.452 111.642 119.070 0.041 0.000 3.233 98 H HA 0.214 nan 4.556 nan 0.000 0.263 98 H C -0.667 174.762 175.328 0.170 0.000 1.168 98 H CA -0.676 55.431 56.048 0.098 0.000 1.159 98 H CB 1.526 31.401 29.762 0.188 0.000 1.593 98 H HN -0.167 7.983 8.280 0.004 0.133 0.580 99 R N 0.501 121.114 120.500 0.187 0.000 2.295 99 R HA 0.305 nan 4.340 nan 0.000 0.324 99 R C 0.566 176.906 176.300 0.067 0.000 0.968 99 R CA -1.814 54.369 56.100 0.139 0.000 0.837 99 R CB 0.110 30.468 30.300 0.097 0.000 1.133 99 R HN -0.589 7.732 8.270 0.086 0.000 0.450 100 E N 3.313 123.566 120.200 0.088 0.000 2.533 100 E HA -0.215 nan 4.350 nan 0.000 0.201 100 E C -0.048 176.586 176.600 0.057 0.000 1.097 100 E CA 1.210 57.650 56.400 0.066 0.000 0.887 100 E CB -0.707 29.031 29.700 0.064 0.000 0.855 100 E HN 0.579 8.998 8.360 0.100 0.000 0.540 101 D N -2.892 117.572 120.400 0.107 0.000 2.336 101 D HA 0.028 nan 4.640 nan 0.000 0.228 101 D C 0.122 176.462 176.300 0.066 0.000 1.120 101 D CA 0.226 54.318 54.000 0.153 0.000 0.839 101 D CB -0.457 40.521 40.800 0.297 0.000 0.932 101 D HN -0.296 8.060 8.370 0.118 0.085 0.509 102 C N -2.823 116.444 119.300 -0.055 0.000 3.657 102 C HA 0.095 nan 4.460 nan 0.000 0.291 102 C C -0.791 174.005 174.990 -0.324 0.000 1.572 102 C CA -1.248 57.602 59.018 -0.280 0.000 1.818 102 C CB 1.073 28.840 27.740 0.044 0.000 2.903 102 C HN -0.244 7.904 8.230 -0.025 0.067 0.632 103 K N 1.175 121.433 120.400 -0.238 0.000 2.319 103 K HA -0.230 nan 4.320 nan 0.000 0.265 103 K C 1.033 177.476 176.600 -0.261 0.000 1.000 103 K CA 1.496 57.656 56.287 -0.210 0.000 0.943 103 K CB 0.056 32.467 32.500 -0.149 0.000 0.950 103 K HN -0.490 7.640 8.250 -0.200 0.000 0.485 104 G N 3.374 112.022 108.800 -0.255 0.000 2.155 104 G HA2 -0.452 nan 3.960 nan 0.000 0.257 104 G HA3 -0.452 nan 3.960 nan 0.000 0.257 104 G C -0.770 173.926 174.900 -0.341 0.000 0.983 104 G CA 0.397 45.312 45.100 -0.308 0.000 0.676 104 G HN 0.332 8.478 8.290 -0.221 0.013 0.528 105 I N 0.631 121.012 120.570 -0.316 0.000 2.532 105 I HA 0.117 nan 4.170 nan 0.000 0.292 105 I C -1.419 174.547 176.117 -0.252 0.000 1.014 105 I CA -1.441 59.693 61.300 -0.277 0.000 1.340 105 I CB 1.626 39.496 38.000 -0.216 0.000 1.422 105 I HN -0.716 7.257 8.210 -0.288 0.064 0.528 106 T N 7.610 122.019 114.554 -0.241 0.000 2.856 106 T HA 0.180 nan 4.350 nan 0.000 0.283 106 T C -0.957 173.631 174.700 -0.187 0.000 1.008 106 T CA -1.507 60.460 62.100 -0.221 0.000 0.997 106 T CB 1.889 70.613 68.868 -0.240 0.000 0.992 106 T HN -0.374 7.949 8.240 -0.227 -0.220 0.454 107 V N 4.607 124.434 119.914 -0.145 0.000 2.508 107 V HA 0.073 nan 4.120 nan 0.000 0.281 107 V C -1.078 174.902 176.094 -0.191 0.000 1.041 107 V CA -2.786 59.425 62.300 -0.149 0.000 1.016 107 V CB -0.684 31.097 31.823 -0.071 0.000 0.984 107 V HN 0.473 8.593 8.190 -0.117 0.000 0.478 108 P HA 0.088 nan 4.420 nan 0.000 0.260 108 P C -2.643 174.663 177.300 0.010 0.000 1.185 108 P CA -0.916 62.023 63.100 -0.268 0.000 0.763 108 P CB 0.139 31.528 31.700 -0.519 0.000 0.776 109 P HA -0.006 nan 4.420 nan 0.000 0.261 109 P C 0.960 178.332 177.300 0.121 0.000 1.203 109 P CA -0.124 63.050 63.100 0.124 0.000 0.767 109 P CB 0.379 32.135 31.700 0.093 0.000 0.785 110 I N -0.076 120.572 120.570 0.130 0.000 2.423 110 I HA -0.522 nan 4.170 nan 0.000 0.254 110 I C 0.963 177.088 176.117 0.012 0.000 1.151 110 I CA 3.446 64.799 61.300 0.088 0.000 1.421 110 I CB -0.235 37.710 38.000 -0.092 0.000 1.079 110 I HN 0.222 8.563 8.210 0.219 0.000 0.431 111 Q N -1.189 118.444 119.800 -0.278 0.000 2.172 111 Q HA -0.269 nan 4.340 nan 0.000 0.200 111 Q C 1.198 177.007 176.000 -0.319 0.000 0.964 111 Q CA 3.047 58.371 55.803 -0.798 0.000 0.855 111 Q CB -0.627 27.552 28.738 -0.930 0.000 0.918 111 Q HN 0.206 8.313 8.270 -0.173 0.059 0.444 112 E N -2.663 117.454 120.200 -0.139 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.442 178.032 176.600 -0.018 0.000 0.973 112 E CA 1.509 57.871 56.400 -0.063 0.000 0.851 112 E CB 1.343 30.997 29.700 -0.078 0.000 0.804 112 E HN -0.429 7.742 8.360 -0.106 0.126 0.477 113 V N -5.772 114.150 119.914 0.014 0.000 2.788 113 V HA -0.083 nan 4.120 nan 0.000 0.251 113 V C -0.107 175.767 176.094 -0.367 0.000 1.068 113 V CA 2.034 64.267 62.300 -0.112 0.000 1.090 113 V CB 0.320 32.158 31.823 0.024 0.000 0.710 113 V HN -0.079 8.046 8.190 0.070 0.107 0.467 114 F N -1.718 118.298 119.950 0.110 0.000 2.660 114 F HA 0.578 nan 4.527 nan 0.000 0.352 114 F C -1.627 174.291 175.800 0.197 0.000 1.257 114 F CA -3.422 54.662 58.000 0.139 0.000 1.200 114 F CB 1.102 40.180 39.000 0.131 0.000 1.473 114 F HN -0.407 7.883 8.300 0.172 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.634 178.135 177.300 0.335 0.000 1.153 115 P CA 1.956 65.203 63.100 0.245 0.000 0.777 115 P CB 0.036 31.813 31.700 0.127 0.000 0.794 116 D N -1.424 119.164 120.400 0.314 0.000 2.123 116 D HA -0.336 nan 4.640 nan 0.000 0.196 116 D C 0.364 176.796 176.300 0.221 0.000 0.992 116 D CA 2.654 56.809 54.000 0.258 0.000 0.833 116 D CB -1.760 39.203 40.800 0.271 0.000 0.954 116 D HN 0.429 8.944 8.370 0.350 0.065 0.455 117 R N -3.482 117.144 120.500 0.211 0.000 2.339 117 R HA -0.130 nan 4.340 nan 0.000 0.199 117 R C 0.489 176.613 176.300 -0.292 0.000 1.018 117 R CA 1.271 57.331 56.100 -0.067 0.000 1.036 117 R CB -0.556 29.652 30.300 -0.154 0.000 0.899 117 R HN -0.288 8.167 8.270 0.308 0.000 0.473 118 F N -2.812 117.133 119.950 -0.008 0.000 2.592 118 F HA 0.089 nan 4.527 nan 0.000 0.280 118 F C -0.525 175.258 175.800 -0.029 0.000 1.083 118 F CA 2.443 60.416 58.000 -0.044 0.000 1.365 118 F CB 2.261 41.225 39.000 -0.061 0.000 1.100 118 F HN -0.358 7.945 8.300 0.335 0.198 0.633 119 V N -6.174 113.855 119.914 0.192 0.000 3.096 119 V HA 0.526 nan 4.120 nan 0.000 0.319 119 V C -2.530 173.637 176.094 0.121 0.000 1.103 119 V CA -4.035 58.348 62.300 0.139 0.000 1.016 119 V CB -0.206 31.701 31.823 0.140 0.000 1.090 119 V HN -0.566 7.758 8.190 0.224 0.000 0.449 120 P HA -0.032 nan 4.420 nan 0.000 0.267 120 P C -0.528 176.837 177.300 0.109 0.000 1.209 120 P CA -0.019 63.145 63.100 0.107 0.000 0.763 120 P CB -0.081 31.663 31.700 0.073 0.000 0.816 121 A N 6.880 129.770 122.820 0.118 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.845 179.482 177.584 0.088 0.000 1.199 121 A CA 3.577 55.678 52.037 0.106 0.000 0.657 121 A CB -0.544 18.518 19.000 0.104 0.000 0.823 121 A HN 0.876 8.997 8.150 0.132 0.108 0.463 122 E N -3.128 117.121 120.200 0.081 0.000 2.038 122 E HA -0.364 nan 4.350 nan 0.000 0.195 122 E C 2.129 178.769 176.600 0.067 0.000 1.000 122 E CA 3.331 59.770 56.400 0.065 0.000 0.803 122 E CB -0.323 29.408 29.700 0.052 0.000 0.750 122 E HN 0.238 8.642 8.360 0.089 0.009 0.448 123 T N 0.783 115.382 114.554 0.076 0.000 3.085 123 T HA -0.049 nan 4.350 nan 0.000 0.263 123 T C 2.457 177.207 174.700 0.085 0.000 1.127 123 T CA 2.608 64.756 62.100 0.080 0.000 1.103 123 T CB -0.763 68.160 68.868 0.090 0.000 0.921 123 T HN -0.406 7.788 8.240 0.080 0.094 0.510 124 I N 2.760 123.383 120.570 0.089 0.000 2.193 124 I HA -0.504 nan 4.170 nan 0.000 0.240 124 I C 0.929 177.092 176.117 0.076 0.000 1.084 124 I CA 4.063 65.417 61.300 0.090 0.000 1.365 124 I CB -0.271 37.789 38.000 0.101 0.000 1.064 124 I HN -0.308 7.930 8.210 0.092 0.028 0.410 125 N N -0.370 118.372 118.700 0.070 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.551 178.093 175.510 0.055 0.000 1.019 125 N CA 3.841 56.926 53.050 0.058 0.000 0.857 125 N CB 0.163 38.682 38.487 0.053 0.000 0.997 125 N HN -0.114 8.310 8.380 0.074 0.000 0.426 126 R N -1.328 119.207 120.500 0.058 0.000 2.057 126 R HA -0.244 nan 4.340 nan 0.000 0.229 126 R C 1.748 178.086 176.300 0.063 0.000 1.136 126 R CA 3.246 59.380 56.100 0.057 0.000 0.952 126 R CB -0.152 30.183 30.300 0.057 0.000 0.848 126 R HN 0.377 8.567 8.270 0.062 0.117 0.430 127 A N -0.940 121.920 122.820 0.067 0.000 1.883 127 A HA -0.329 nan 4.320 nan 0.000 0.217 127 A C 2.228 179.856 177.584 0.074 0.000 1.186 127 A CA 3.097 55.176 52.037 0.071 0.000 0.624 127 A CB -0.933 18.112 19.000 0.075 0.000 0.822 127 A HN -0.569 7.623 8.150 0.069 0.000 0.444 128 N N -1.786 116.956 118.700 0.070 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.227 177.770 175.510 0.054 0.000 1.041 128 N CA 3.068 56.155 53.050 0.061 0.000 0.862 128 N CB -0.580 37.939 38.487 0.052 0.000 1.048 128 N HN -0.214 8.209 8.380 0.071 0.000 0.427 129 K N 0.154 120.584 120.400 0.050 0.000 2.209 129 K HA -0.310 nan 4.320 nan 0.000 0.204 129 K C 2.497 179.129 176.600 0.053 0.000 1.048 129 K CA 2.993 59.305 56.287 0.042 0.000 0.940 129 K CB 0.001 32.523 32.500 0.036 0.000 0.729 129 K HN 0.040 8.141 8.250 0.052 0.180 0.451 130 E N -0.769 119.478 120.200 0.079 0.000 2.152 130 E HA -0.287 nan 4.350 nan 0.000 0.192 130 E C 2.062 178.744 176.600 0.137 0.000 0.983 130 E CA 2.754 59.230 56.400 0.126 0.000 0.818 130 E CB -0.162 29.615 29.700 0.128 0.000 0.758 130 E HN 0.071 8.345 8.360 0.074 0.131 0.467 131 A N -0.738 122.142 122.820 0.100 0.000 1.933 131 A HA -0.185 nan 4.320 nan 0.000 0.218 131 A C 1.445 179.068 177.584 0.066 0.000 1.175 131 A CA 3.074 55.167 52.037 0.093 0.000 0.628 131 A CB -0.708 18.347 19.000 0.091 0.000 0.814 131 A HN -0.278 7.926 8.150 0.089 0.000 0.444 132 S N -2.664 113.061 115.700 0.042 0.000 2.453 132 S HA -0.159 nan 4.470 nan 0.000 0.231 132 S C 1.355 175.946 174.600 -0.016 0.000 1.005 132 S CA 2.340 60.548 58.200 0.014 0.000 0.949 132 S CB 0.600 63.803 63.200 0.006 0.000 0.774 132 S HN -0.337 8.001 8.310 0.045 0.000 0.510 133 N N 0.273 118.960 118.700 -0.022 0.000 2.333 133 N HA -0.093 nan 4.740 nan 0.000 0.178 133 N C -0.168 175.127 175.510 -0.358 0.000 1.018 133 N CA 1.405 54.356 53.050 -0.165 0.000 0.882 133 N CB 1.118 39.510 38.487 -0.158 0.000 0.984 133 N HN -0.272 7.888 8.380 0.029 0.237 0.434 134 H N -1.345 117.734 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.332 173.006 175.328 0.017 0.000 1.198 134 H CA -2.661 53.395 56.048 0.014 0.000 1.489 134 H CB 0.450 30.219 29.762 0.013 0.000 1.519 134 H HN -0.139 8.219 8.280 0.131 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.822 177.300 0.067 0.000 1.635 135 P CA 0.464 63.603 63.100 0.065 0.000 1.199 135 P CB -0.522 31.199 31.700 0.035 0.000 1.850 136 D N 1.819 122.265 120.400 0.077 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.690 175.637 176.300 0.044 0.000 1.176 136 D CA -1.194 52.839 54.000 0.055 0.000 0.914 136 D CB 2.622 43.455 40.800 0.055 0.000 1.431 136 D HN -0.520 7.882 8.370 0.090 0.021 0.454 137 Q N -1.126 118.688 119.800 0.024 0.000 2.451 137 Q HA -0.091 nan 4.340 nan 0.000 0.206 137 Q C 0.044 176.034 176.000 -0.016 0.000 0.947 137 Q CA 0.304 56.111 55.803 0.006 0.000 0.937 137 Q CB 0.415 29.153 28.738 -0.000 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.021 0.000 0.511 138 Q N 0.581 120.372 119.800 -0.014 0.000 2.286 138 Q HA -0.169 nan 4.340 nan 0.000 0.290 138 Q C -0.708 175.272 176.000 -0.033 0.000 1.049 138 Q CA 0.868 56.652 55.803 -0.031 0.000 0.923 138 Q CB 0.404 29.115 28.738 -0.045 0.000 1.183 138 Q HN -0.654 7.834 8.270 -0.004 -0.220 0.383 139 S N 3.724 119.397 115.700 -0.044 0.000 2.576 139 S HA 0.174 nan 4.470 nan 0.000 0.272 139 S C -0.875 173.707 174.600 -0.029 0.000 1.352 139 S CA 1.041 59.216 58.200 -0.042 0.000 1.021 139 S CB 0.518 63.691 63.200 -0.046 0.000 0.887 139 S HN 0.206 8.488 8.310 -0.046 0.000 0.542 140 I N 0.524 121.087 120.570 -0.013 0.000 2.545 140 I HA 0.271 nan 4.170 nan 0.000 0.292 140 I C -2.248 173.871 176.117 0.004 0.000 1.040 140 I CA -0.609 60.691 61.300 -0.000 0.000 1.068 140 I CB 3.435 41.451 38.000 0.027 0.000 1.251 140 I HN 0.538 8.741 8.210 -0.011 0.000 0.424 141 V N 6.449 126.364 119.914 0.002 0.000 2.577 141 V HA 0.605 nan 4.120 nan 0.000 0.303 141 V C -1.825 174.278 176.094 0.015 0.000 1.042 141 V CA -1.688 60.614 62.300 0.003 0.000 0.872 141 V CB 2.089 33.904 31.823 -0.015 0.000 0.998 141 V HN 0.153 8.342 8.190 -0.002 0.000 0.423 142 V N 7.846 127.777 119.914 0.029 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.744 174.378 176.094 0.046 0.000 1.043 142 V CA -1.627 60.698 62.300 0.042 0.000 0.888 142 V CB 3.391 35.248 31.823 0.056 0.000 0.995 142 V HN 0.774 8.983 8.190 0.031 0.000 0.429 143 E N 5.696 125.929 120.200 0.055 0.000 2.105 143 E HA 0.152 nan 4.350 nan 0.000 0.285 143 E C 0.352 177.018 176.600 0.110 0.000 1.055 143 E CA -0.890 55.557 56.400 0.079 0.000 0.843 143 E CB 0.633 30.394 29.700 0.101 0.000 1.067 143 E HN 0.457 8.848 8.360 0.052 0.000 0.398 144 A N 8.197 131.094 122.820 0.130 0.000 2.019 144 A HA -0.241 nan 4.320 nan 0.000 0.219 144 A C 0.859 178.541 177.584 0.165 0.000 1.164 144 A CA 2.600 54.728 52.037 0.152 0.000 0.644 144 A CB -0.496 18.622 19.000 0.197 0.000 0.805 144 A HN 0.849 8.957 8.150 0.108 0.106 0.449 145 E N -2.015 118.317 120.200 0.219 0.000 2.164 145 E HA -0.352 nan 4.350 nan 0.000 0.206 145 E C -0.105 176.569 176.600 0.123 0.000 1.032 145 E CA 1.859 58.381 56.400 0.202 0.000 0.832 145 E CB 0.047 29.850 29.700 0.172 0.000 0.742 145 E HN 0.153 8.624 8.360 0.259 0.045 0.460 146 E N -4.892 115.355 120.200 0.078 0.000 9.237 146 E HA -0.254 nan 4.350 nan 0.000 0.412 146 E C -1.311 175.297 176.600 0.013 0.000 1.429 146 E CA 0.692 57.108 56.400 0.027 0.000 2.483 146 E CB 0.223 29.912 29.700 -0.019 0.000 1.050 146 E HN -0.390 7.986 8.360 0.088 0.037 0.408 147 T N 0.893 115.436 114.554 -0.019 0.000 3.578 147 T HA 0.250 nan 4.350 nan 0.000 0.329 147 T C -1.575 173.095 174.700 -0.050 0.000 0.913 147 T CA 0.472 62.558 62.100 -0.024 0.000 1.029 147 T CB 0.555 69.420 68.868 -0.006 0.000 1.045 147 T HN 0.169 8.390 8.240 -0.032 0.000 0.460 148 G N 3.587 112.338 108.800 -0.082 0.000 2.694 148 G HA2 0.208 nan 3.960 nan 0.000 0.290 148 G HA3 0.208 nan 3.960 nan 0.000 0.290 148 G C -1.962 172.881 174.900 -0.094 0.000 1.386 148 G CA 0.117 45.159 45.100 -0.097 0.000 0.872 148 G HN -0.307 7.930 8.290 -0.089 0.000 0.475 149 N N 0.019 118.675 118.700 -0.074 0.000 2.406 149 N HA 0.087 nan 4.740 nan 0.000 0.251 149 N C 0.046 175.515 175.510 -0.068 0.000 1.069 149 N CA -0.672 52.346 53.050 -0.053 0.000 0.947 149 N CB 0.357 38.827 38.487 -0.028 0.000 1.111 149 N HN 0.066 8.407 8.380 -0.064 0.000 0.497 150 I N 6.106 126.640 120.570 -0.060 0.000 2.366 150 I HA -0.068 nan 4.170 nan 0.000 0.302 150 I C 0.312 176.431 176.117 0.003 0.000 1.194 150 I CA 0.358 61.624 61.300 -0.057 0.000 1.667 150 I CB -1.147 36.860 38.000 0.011 0.000 1.501 150 I HN 0.409 8.597 8.210 -0.035 0.000 0.776 151 L N 4.138 125.360 121.223 -0.002 0.000 2.456 151 L HA -0.134 nan 4.340 nan 0.000 0.224 151 L C 0.845 177.744 176.870 0.049 0.000 1.148 151 L CA 1.485 56.339 54.840 0.023 0.000 0.825 151 L CB -0.376 41.694 42.059 0.019 0.000 0.937 151 L HN -0.045 8.127 8.230 -0.024 0.044 0.450 152 D N -2.114 118.329 120.400 0.071 0.000 2.193 152 D HA 0.341 nan 4.640 nan 0.000 0.244 152 D C -1.086 175.299 176.300 0.140 0.000 1.064 152 D CA -2.923 51.143 54.000 0.110 0.000 0.845 152 D CB 1.401 42.283 40.800 0.137 0.000 1.148 152 D HN -0.592 7.737 8.370 0.058 0.076 0.464 153 P HA -0.149 nan 4.420 nan 0.000 0.217 153 P C 0.841 178.205 177.300 0.106 0.000 1.150 153 P CA 1.671 64.827 63.100 0.094 0.000 0.832 153 P CB 0.509 32.246 31.700 0.062 0.000 0.787 154 E N -2.206 118.070 120.200 0.126 0.000 2.204 154 E HA -0.235 nan 4.350 nan 0.000 0.194 154 E C 1.948 178.629 176.600 0.136 0.000 0.989 154 E CA 1.891 58.360 56.400 0.115 0.000 0.824 154 E CB -0.445 29.336 29.700 0.135 0.000 0.756 154 E HN -0.495 8.297 8.360 0.137 -0.349 0.477 155 Y N 0.621 120.977 120.300 0.094 0.000 2.283 155 Y HA -0.406 nan 4.550 nan 0.000 0.285 155 Y C 1.779 177.724 175.900 0.075 0.000 1.176 155 Y CA 2.736 60.896 58.100 0.100 0.000 1.229 155 Y CB -0.131 38.385 38.460 0.094 0.000 0.975 155 Y HN -0.260 8.471 8.280 0.322 -0.258 0.537 156 K N -1.154 119.184 120.400 -0.105 0.000 2.015 156 K HA -0.416 nan 4.320 nan 0.000 0.216 156 K C 1.989 178.486 176.600 -0.170 0.000 1.052 156 K CA 2.934 59.154 56.287 -0.112 0.000 0.937 156 K CB -0.574 31.935 32.500 0.014 0.000 0.719 156 K HN -0.576 7.688 8.250 0.062 0.023 0.446 157 L N -3.189 117.886 121.223 -0.246 0.000 2.633 157 L HA -0.114 nan 4.340 nan 0.000 0.235 157 L C 1.055 177.616 176.870 -0.517 0.000 1.163 157 L CA 1.188 55.686 54.840 -0.571 0.000 0.859 157 L CB -0.953 40.938 42.059 -0.280 0.000 0.973 157 L HN -0.142 7.913 8.230 -0.128 0.098 0.451 158 S N 0.224 115.742 115.700 -0.302 0.000 2.603 158 S HA -0.204 nan 4.470 nan 0.000 0.229 158 S C 1.314 175.865 174.600 -0.083 0.000 0.972 158 S CA 2.503 60.615 58.200 -0.147 0.000 0.935 158 S CB -0.302 62.834 63.200 -0.108 0.000 0.769 158 S HN -0.570 7.370 8.310 -0.283 0.200 0.536 159 Y N -0.823 119.491 120.300 0.024 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.273 176.296 175.900 0.206 0.000 1.146 159 Y CA 1.771 59.937 58.100 0.110 0.000 1.164 159 Y CB -0.936 37.567 38.460 0.072 0.000 0.982 159 Y HN -0.474 7.630 8.280 -0.248 0.027 0.515 160 F N 0.263 120.104 119.950 -0.182 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.775 177.559 175.800 -0.027 0.000 1.068 160 F CA 1.123 59.119 58.000 -0.008 0.000 1.265 160 F CB 1.709 40.663 39.000 -0.077 0.000 1.087 160 F HN -0.629 7.280 8.300 -0.400 0.150 0.511 161 R N -0.997 119.464 120.500 -0.065 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.588 176.744 176.300 -0.241 0.000 1.136 161 R CA 3.074 59.075 56.100 -0.165 0.000 0.959 161 R CB 0.048 30.343 30.300 -0.010 0.000 0.856 161 R HN -0.525 7.782 8.270 0.063 0.000 0.437 162 E N -4.543 115.578 120.200 -0.130 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.424 175.132 176.600 -0.072 0.000 1.041 162 E CA -0.713 55.632 56.400 -0.092 0.000 0.883 162 E CB -0.234 29.471 29.700 0.008 0.000 1.024 162 E HN -0.207 8.076 8.360 -0.078 0.031 0.470 163 D N 0.040 120.378 120.400 -0.104 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.664 176.948 176.300 -0.028 0.000 1.115 163 D CA -0.233 53.736 54.000 -0.051 0.000 0.917 163 D CB 1.430 42.205 40.800 -0.041 0.000 1.192 163 D HN -0.902 7.260 8.370 -0.196 0.091 0.428 164 I N 3.690 124.239 120.570 -0.036 0.000 2.142 164 I HA -0.277 nan 4.170 nan 0.000 0.240 164 I C 1.072 177.226 176.117 0.063 0.000 1.078 164 I CA 3.664 64.972 61.300 0.012 0.000 1.343 164 I CB 0.246 38.094 38.000 -0.254 0.000 1.046 164 I HN 0.420 8.573 8.210 -0.094 0.000 0.405 165 G N -2.950 105.841 108.800 -0.015 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.421 176.244 174.900 -0.128 0.000 1.154 165 G CA 1.705 46.779 45.100 -0.044 0.000 0.784 165 G HN -0.170 8.115 8.290 -0.009 0.000 0.538 166 I N 2.925 123.321 120.570 -0.290 0.000 2.069 166 I HA -0.550 nan 4.170 nan 0.000 0.237 166 I C 1.659 177.700 176.117 -0.127 0.000 1.053 166 I CA 3.054 64.108 61.300 -0.411 0.000 1.311 166 I CB -0.799 36.873 38.000 -0.546 0.000 1.030 166 I HN -0.870 7.344 8.210 -0.290 -0.178 0.398 167 N N -1.141 117.529 118.700 -0.050 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.321 177.941 175.510 0.184 0.000 1.016 167 N CA 3.022 56.063 53.050 -0.015 0.000 0.866 167 N CB -0.208 38.137 38.487 -0.237 0.000 0.980 167 N HN -0.070 8.288 8.380 -0.038 0.000 0.430 168 A N 0.437 123.428 122.820 0.284 0.000 1.877 168 A HA -0.279 nan 4.320 nan 0.000 0.216 168 A C 1.591 179.179 177.584 0.007 0.000 1.186 168 A CA 3.192 55.295 52.037 0.110 0.000 0.620 168 A CB -0.784 18.263 19.000 0.079 0.000 0.822 168 A HN 0.122 8.470 8.150 0.329 0.000 0.443 169 H N 0.132 119.274 119.070 0.121 0.000 2.357 169 H HA -0.458 nan 4.556 nan 0.000 0.296 169 H C 1.977 177.511 175.328 0.343 0.000 1.108 169 H CA 4.068 60.265 56.048 0.248 0.000 1.273 169 H CB 0.002 29.878 29.762 0.191 0.000 1.367 169 H HN -0.182 8.230 8.280 0.219 0.000 0.498 170 H N -1.115 118.071 119.070 0.192 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.801 178.355 175.328 0.376 0.000 1.087 170 H CA 3.803 60.008 56.048 0.261 0.000 1.291 170 H CB 0.250 30.129 29.762 0.195 0.000 1.369 170 H HN -0.554 7.936 8.280 0.379 0.017 0.492 171 W N 0.662 122.084 121.300 0.202 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.717 178.380 176.519 0.241 0.000 1.219 171 W CA 3.992 61.467 57.345 0.217 0.000 1.277 171 W CB -0.289 29.253 29.460 0.135 0.000 1.161 171 W HN -0.452 8.017 8.180 0.483 0.000 0.476 172 H N -2.452 116.906 119.070 0.479 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.306 177.676 175.328 0.071 0.000 1.113 172 H CA 3.206 59.397 56.048 0.239 0.000 1.277 172 H CB -0.864 29.013 29.762 0.192 0.000 1.370 172 H HN -0.039 8.275 8.280 0.057 0.000 0.506 173 W N -0.255 121.032 121.300 -0.021 0.000 2.358 173 W HA -0.381 nan 4.660 nan 0.000 0.303 173 W C 1.875 178.429 176.519 0.058 0.000 1.208 173 W CA 4.829 62.153 57.345 -0.035 0.000 1.274 173 W CB 0.050 29.428 29.460 -0.138 0.000 1.138 173 W HN 0.676 8.966 8.180 0.184 0.000 0.515 174 H N -3.474 115.796 119.070 0.333 0.000 2.539 174 H HA -0.055 nan 4.556 nan 0.000 0.267 174 H C 1.194 176.472 175.328 -0.083 0.000 0.982 174 H CA 2.563 58.736 56.048 0.208 0.000 1.146 174 H CB 0.241 30.189 29.762 0.311 0.000 1.382 174 H HN -0.671 7.879 8.280 0.450 0.000 0.577 175 I N -0.918 119.614 120.570 -0.062 0.000 2.584 175 I HA -0.206 nan 4.170 nan 0.000 0.255 175 I C 1.075 177.096 176.117 -0.159 0.000 1.145 175 I CA 1.118 62.290 61.300 -0.215 0.000 1.462 175 I CB 0.697 38.623 38.000 -0.124 0.000 1.102 175 I HN -0.293 7.843 8.210 0.036 0.096 0.433 176 V N -6.404 113.362 119.914 -0.247 0.000 2.591 176 V HA -0.073 nan 4.120 nan 0.000 0.249 176 V C 0.453 176.074 176.094 -0.788 0.000 1.053 176 V CA 1.732 63.753 62.300 -0.466 0.000 1.068 176 V CB -0.254 31.197 31.823 -0.619 0.000 0.689 176 V HN -0.381 7.692 8.190 -0.196 0.000 0.462 177 Y N -1.559 118.517 120.300 -0.372 0.000 2.919 177 Y HA 0.553 nan 4.550 nan 0.000 0.341 177 Y C -2.588 173.278 175.900 -0.056 0.000 1.045 177 Y CA -3.609 54.279 58.100 -0.353 0.000 1.218 177 Y CB -0.673 37.434 38.460 -0.589 0.000 1.137 177 Y HN -0.012 7.872 8.280 -0.476 0.111 0.577 178 P HA 0.105 nan 4.420 nan 0.000 0.276 178 P C -0.039 177.355 177.300 0.157 0.000 1.230 178 P CA -0.280 62.897 63.100 0.129 0.000 0.776 178 P CB 0.758 32.474 31.700 0.027 0.000 0.888 179 A N 4.615 127.519 122.820 0.140 0.000 1.940 179 A HA -0.289 nan 4.320 nan 0.000 0.219 179 A C 0.695 178.314 177.584 0.059 0.000 1.176 179 A CA 3.235 55.321 52.037 0.081 0.000 0.631 179 A CB -0.459 18.570 19.000 0.047 0.000 0.814 179 A HN 0.647 8.892 8.150 0.157 0.000 0.446 180 T N -5.705 108.860 114.554 0.019 0.000 3.252 180 T HA -0.091 nan 4.350 nan 0.000 0.250 180 T C 0.644 175.270 174.700 -0.123 0.000 1.123 180 T CA -1.172 60.893 62.100 -0.058 0.000 1.006 180 T CB -1.409 67.380 68.868 -0.132 0.000 0.992 180 T HN -0.171 8.075 8.240 0.019 0.004 0.547 181 W N 4.280 125.466 121.300 -0.189 0.000 2.771 181 W HA -0.223 nan 4.660 nan 0.000 0.407 181 W C -1.735 174.693 176.519 -0.152 0.000 1.221 181 W CA -0.171 57.054 57.345 -0.201 0.000 1.539 181 W CB -0.947 28.404 29.460 -0.181 0.000 1.647 181 W HN -0.269 7.825 8.180 0.168 0.187 0.469 182 N N 7.974 126.393 118.700 -0.468 0.000 2.452 182 N HA -0.063 nan 4.740 nan 0.000 0.266 182 N C -1.104 174.018 175.510 -0.646 0.000 1.209 182 N CA -0.952 51.851 53.050 -0.412 0.000 0.929 182 N CB 0.917 39.199 38.487 -0.341 0.000 1.063 182 N HN -0.347 7.721 8.380 -0.454 0.039 0.472 183 P HA -0.116 nan 4.420 nan 0.000 0.216 183 P C 0.138 177.329 177.300 -0.181 0.000 1.153 183 P CA 1.959 64.978 63.100 -0.135 0.000 0.844 183 P CB 0.629 32.356 31.700 0.045 0.000 0.787 184 T N -4.610 109.850 114.554 -0.157 0.000 2.732 184 T HA -0.154 nan 4.350 nan 0.000 0.261 184 T C 2.837 177.445 174.700 -0.154 0.000 1.040 184 T CA 3.244 65.276 62.100 -0.115 0.000 1.145 184 T CB -0.578 68.243 68.868 -0.077 0.000 0.866 184 T HN -0.241 8.034 8.240 -0.156 -0.128 0.427 185 V N 2.061 121.852 119.914 -0.205 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.205 177.109 176.094 -0.316 0.000 1.080 185 V CA 3.091 65.264 62.300 -0.211 0.000 1.101 185 V CB -0.645 31.065 31.823 -0.189 0.000 0.698 185 V HN 0.257 8.658 8.190 -0.211 -0.337 0.477 186 M N -2.674 116.629 119.600 -0.495 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.590 176.300 -0.258 0.000 1.201 186 M CA -1.581 53.358 55.300 -0.603 0.000 0.973 186 M CB -0.669 31.110 32.600 -1.368 0.000 1.401 186 M HN -0.410 7.546 8.290 -0.520 0.022 0.497 187 G N 0.519 109.233 108.800 -0.144 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.020 173.891 174.900 0.018 0.000 1.113 187 G CA 1.122 46.200 45.100 -0.037 0.000 0.655 187 G HN 0.128 8.120 8.290 -0.174 0.194 0.513 188 K N -0.521 119.928 120.400 0.083 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.053 174.710 176.600 0.271 0.000 1.006 188 K CA -1.206 55.163 56.287 0.137 0.000 0.890 188 K CB 2.510 35.082 32.500 0.120 0.000 1.475 188 K HN -0.369 7.831 8.250 0.087 0.102 0.441 189 E N -0.186 120.122 120.200 0.181 0.000 2.285 189 E HA 0.207 nan 4.350 nan 0.000 0.254 189 E C -0.654 175.957 176.600 0.017 0.000 1.011 189 E CA -1.528 54.983 56.400 0.186 0.000 0.873 189 E CB 1.621 31.391 29.700 0.117 0.000 1.229 189 E HN 0.177 8.602 8.360 0.110 0.000 0.422 190 K N 0.209 120.594 120.400 -0.025 0.000 2.572 190 K HA 0.281 nan 4.320 nan 0.000 0.244 190 K C -1.147 175.467 176.600 0.023 0.000 0.965 190 K CA -1.426 54.801 56.287 -0.101 0.000 0.943 190 K CB 0.893 33.233 32.500 -0.267 0.000 1.154 190 K HN 0.311 8.596 8.250 0.058 0.000 0.447 191 D N 5.851 126.280 120.400 0.048 0.000 2.502 191 D HA -0.195 nan 4.640 nan 0.000 0.249 191 D C -0.242 176.080 176.300 0.035 0.000 1.188 191 D CA 1.459 55.494 54.000 0.059 0.000 0.890 191 D CB 0.163 41.005 40.800 0.071 0.000 1.140 191 D HN 0.472 8.858 8.370 0.027 0.000 0.505 192 R N -0.215 120.300 120.500 0.025 0.000 3.641 192 R HA -0.525 nan 4.340 nan 0.000 0.286 192 R C 0.511 176.785 176.300 -0.043 0.000 1.153 192 R CA 1.186 57.294 56.100 0.012 0.000 0.775 192 R CB -2.088 28.227 30.300 0.025 0.000 1.215 192 R HN 0.696 8.991 8.270 0.042 0.000 0.474 193 K N -1.041 119.301 120.400 -0.098 0.000 2.152 193 K HA -0.278 nan 4.320 nan 0.000 0.206 193 K C 1.823 178.444 176.600 0.035 0.000 1.048 193 K CA 2.788 58.943 56.287 -0.221 0.000 0.933 193 K CB -0.573 31.809 32.500 -0.197 0.000 0.721 193 K HN -0.498 7.725 8.250 -0.045 0.000 0.447 194 G N -1.107 107.757 108.800 0.106 0.000 2.434 194 G HA2 -0.261 nan 3.960 nan 0.000 0.214 194 G HA3 -0.261 nan 3.960 nan 0.000 0.214 194 G C 0.339 175.412 174.900 0.288 0.000 1.202 194 G CA 1.677 46.920 45.100 0.238 0.000 0.788 194 G HN 0.197 8.827 8.290 0.074 -0.295 0.539 195 E N 2.381 122.686 120.200 0.174 0.000 2.058 195 E HA -0.286 nan 4.350 nan 0.000 0.194 195 E C 1.975 178.646 176.600 0.119 0.000 0.997 195 E CA 2.576 59.057 56.400 0.134 0.000 0.801 195 E CB -0.168 29.586 29.700 0.089 0.000 0.746 195 E HN -0.850 7.770 8.360 0.142 -0.174 0.450 196 L N -0.993 120.299 121.223 0.115 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.157 178.191 176.870 0.274 0.000 1.092 196 L CA 2.777 57.728 54.840 0.185 0.000 0.759 196 L CB -0.514 41.634 42.059 0.150 0.000 0.903 196 L HN 0.069 8.351 8.230 0.088 0.000 0.435 197 F N 0.699 120.734 119.950 0.143 0.000 2.234 197 F HA -0.364 nan 4.527 nan 0.000 0.299 197 F C 1.302 176.998 175.800 -0.172 0.000 1.087 197 F CA 3.238 61.208 58.000 -0.050 0.000 1.340 197 F CB -0.062 38.966 39.000 0.047 0.000 1.031 197 F HN -0.482 7.939 8.300 0.393 0.115 0.500 198 F N 1.456 120.996 119.950 -0.684 0.000 2.026 198 F HA -0.491 nan 4.527 nan 0.000 0.296 198 F C 0.617 176.136 175.800 -0.468 0.000 1.133 198 F CA 3.002 60.381 58.000 -1.036 0.000 1.188 198 F CB -0.707 37.453 39.000 -1.399 0.000 0.968 198 F HN 0.046 8.197 8.300 -0.130 0.071 0.476 199 Y N -0.040 119.736 120.300 -0.874 0.000 2.049 199 Y HA -0.557 nan 4.550 nan 0.000 0.277 199 Y C 1.723 177.243 175.900 -0.634 0.000 1.143 199 Y CA 3.550 61.084 58.100 -0.943 0.000 1.115 199 Y CB -0.081 38.066 38.460 -0.521 0.000 0.975 199 Y HN -0.118 8.020 8.280 -0.237 0.000 0.487 200 M N -2.062 117.217 119.600 -0.535 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.833 177.660 176.300 -0.788 0.000 1.071 200 M CA 3.048 57.913 55.300 -0.725 0.000 1.088 200 M CB -0.433 31.707 32.600 -0.767 0.000 1.360 200 M HN 0.079 8.243 8.290 -0.210 0.000 0.404 201 H N -2.047 116.671 119.070 -0.588 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.448 177.618 175.328 -0.263 0.000 1.059 201 H CA 3.962 59.812 56.048 -0.329 0.000 1.363 201 H CB -0.437 29.118 29.762 -0.346 0.000 1.410 201 H HN -0.457 7.449 8.280 -0.397 0.135 0.528 202 Q N -0.101 119.494 119.800 -0.341 0.000 2.020 202 Q HA -0.403 nan 4.340 nan 0.000 0.202 202 Q C 2.330 178.126 176.000 -0.339 0.000 0.982 202 Q CA 3.459 59.087 55.803 -0.292 0.000 0.838 202 Q CB -0.166 28.313 28.738 -0.431 0.000 0.899 202 Q HN -0.004 7.965 8.270 -0.500 0.000 0.423 203 Q N -1.144 118.256 119.800 -0.667 0.000 2.112 203 Q HA -0.344 nan 4.340 nan 0.000 0.206 203 Q C 2.699 178.383 176.000 -0.527 0.000 0.987 203 Q CA 2.787 58.143 55.803 -0.745 0.000 0.858 203 Q CB -0.434 27.464 28.738 -1.401 0.000 0.905 203 Q HN 0.222 7.934 8.270 -0.930 0.000 0.420 204 M N -0.279 119.087 119.600 -0.390 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.071 178.559 176.300 0.312 0.000 1.071 204 M CA 4.516 59.868 55.300 0.086 0.000 1.103 204 M CB -0.019 32.739 32.600 0.263 0.000 1.307 204 M HN 0.060 8.045 8.290 -0.508 0.000 0.409 205 C N -2.537 116.916 119.300 0.255 0.000 2.472 205 C HA -0.150 nan 4.460 nan 0.000 0.278 205 C C 2.086 177.209 174.990 0.222 0.000 1.447 205 C CA 2.419 61.651 59.018 0.356 0.000 1.773 205 C CB -2.439 25.509 27.740 0.346 0.000 1.793 205 C HN -0.179 8.130 8.230 0.132 0.000 0.544 206 A N 1.195 124.067 122.820 0.086 0.000 1.935 206 A HA -0.134 nan 4.320 nan 0.000 0.214 206 A C 1.486 179.080 177.584 0.017 0.000 1.178 206 A CA 3.036 55.098 52.037 0.042 0.000 0.640 206 A CB -0.624 18.379 19.000 0.006 0.000 0.825 206 A HN 0.681 8.712 8.150 0.015 0.128 0.447 207 R N -0.455 120.048 120.500 0.005 0.000 2.083 207 R HA -0.408 nan 4.340 nan 0.000 0.237 207 R C 2.019 178.193 176.300 -0.209 0.000 1.137 207 R CA 3.575 59.655 56.100 -0.032 0.000 0.951 207 R CB -0.129 30.226 30.300 0.093 0.000 0.851 207 R HN -0.169 8.088 8.270 -0.021 0.000 0.434 208 Y N 0.484 120.603 120.300 -0.303 0.000 2.053 208 Y HA -0.481 nan 4.550 nan 0.000 0.277 208 Y C 1.344 177.071 175.900 -0.289 0.000 1.159 208 Y CA 3.477 61.312 58.100 -0.442 0.000 1.125 208 Y CB -0.152 38.128 38.460 -0.300 0.000 0.969 208 Y HN 0.155 8.567 8.280 0.221 0.000 0.492 209 D N -2.675 117.662 120.400 -0.105 0.000 2.228 209 D HA -0.398 nan 4.640 nan 0.000 0.203 209 D C 2.730 178.925 176.300 -0.175 0.000 0.988 209 D CA 3.266 57.170 54.000 -0.160 0.000 0.864 209 D CB -0.931 39.859 40.800 -0.017 0.000 0.928 209 D HN 0.027 8.333 8.370 0.105 0.127 0.469 210 S N -0.221 115.407 115.700 -0.121 0.000 2.345 210 S HA -0.209 nan 4.470 nan 0.000 0.220 210 S C 2.498 177.047 174.600 -0.085 0.000 1.031 210 S CA 3.040 61.221 58.200 -0.032 0.000 0.996 210 S CB -0.013 63.238 63.200 0.085 0.000 0.882 210 S HN -0.197 8.035 8.310 -0.102 0.017 0.445 211 E N 1.683 121.751 120.200 -0.221 0.000 2.187 211 E HA -0.413 nan 4.350 nan 0.000 0.199 211 E C 2.466 178.903 176.600 -0.273 0.000 1.004 211 E CA 3.164 59.428 56.400 -0.227 0.000 0.813 211 E CB -0.480 28.962 29.700 -0.430 0.000 0.736 211 E HN -0.123 8.002 8.360 -0.296 0.058 0.468 212 R N -1.626 118.605 120.500 -0.449 0.000 2.070 212 R HA -0.278 nan 4.340 nan 0.000 0.233 212 R C 2.584 178.772 176.300 -0.186 0.000 1.137 212 R CA 3.182 59.065 56.100 -0.361 0.000 0.945 212 R CB -0.102 29.938 30.300 -0.433 0.000 0.845 212 R HN 0.243 8.160 8.270 -0.581 0.005 0.430 213 L N -1.505 119.626 121.223 -0.153 0.000 2.201 213 L HA -0.229 nan 4.340 nan 0.000 0.212 213 L C 2.702 179.529 176.870 -0.071 0.000 1.105 213 L CA 2.759 57.530 54.840 -0.115 0.000 0.775 213 L CB -0.617 41.359 42.059 -0.139 0.000 0.913 213 L HN -0.498 7.625 8.230 -0.178 0.000 0.440 214 S N 1.775 117.476 115.700 0.001 0.000 2.368 214 S HA -0.352 nan 4.470 nan 0.000 0.225 214 S C 1.707 176.321 174.600 0.023 0.000 1.030 214 S CA 4.445 62.700 58.200 0.092 0.000 0.999 214 S CB -0.542 62.752 63.200 0.157 0.000 0.844 214 S HN 0.492 8.661 8.310 -0.017 0.131 0.459 215 N N -1.477 117.219 118.700 -0.006 0.000 2.520 215 N HA -0.214 nan 4.740 nan 0.000 0.185 215 N C 0.195 175.684 175.510 -0.036 0.000 1.068 215 N CA 0.998 54.038 53.050 -0.017 0.000 0.911 215 N CB 0.226 38.702 38.487 -0.018 0.000 0.961 215 N HN -0.821 7.540 8.380 -0.017 0.009 0.446 216 G N -1.866 106.901 108.800 -0.056 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.867 173.995 174.900 -0.063 0.000 1.062 216 G CA 0.280 45.339 45.100 -0.069 0.000 0.815 216 G HN -0.414 7.624 8.290 -0.059 0.216 0.497 217 L N -2.275 118.904 121.223 -0.074 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.767 176.052 176.870 -0.084 0.000 1.012 217 L CA -2.111 52.685 54.840 -0.072 0.000 0.816 217 L CB 2.826 44.836 42.059 -0.082 0.000 1.355 217 L HN -0.030 8.149 8.230 -0.085 0.000 0.457 218 Q N -3.291 116.467 119.800 -0.069 0.000 2.260 218 Q HA 0.165 nan 4.340 nan 0.000 0.238 218 Q C -0.436 175.515 176.000 -0.082 0.000 0.948 218 Q CA -1.042 54.722 55.803 -0.065 0.000 0.895 218 Q CB 0.974 29.690 28.738 -0.037 0.000 1.218 218 Q HN 0.041 8.279 8.270 -0.054 0.000 0.470 219 R N -0.385 120.072 120.500 -0.072 0.000 2.740 219 R HA -0.258 nan 4.340 nan 0.000 0.263 219 R C -0.139 176.160 176.300 -0.000 0.000 0.997 219 R CA 1.221 57.288 56.100 -0.055 0.000 1.108 219 R CB 0.383 30.670 30.300 -0.021 0.000 0.969 219 R HN -0.082 8.317 8.270 -0.066 -0.168 0.431 220 M N 1.898 121.534 119.600 0.060 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.374 176.013 176.300 0.146 0.000 1.342 220 M CA -1.011 54.380 55.300 0.153 0.000 1.117 220 M CB 0.791 33.598 32.600 0.344 0.000 1.670 220 M HN -0.009 8.681 8.290 0.068 -0.359 0.466 221 I N 7.102 127.748 120.570 0.127 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.380 176.117 0.145 0.000 1.140 221 I CA -2.724 58.644 61.300 0.113 0.000 1.420 221 I CB 0.965 39.017 38.000 0.085 0.000 1.387 221 I HN 0.102 8.384 8.210 0.119 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.146 176.225 177.300 0.119 0.000 1.218 222 P CA -0.866 62.329 63.100 0.159 0.000 0.780 222 P CB 0.725 32.527 31.700 0.172 0.000 0.901 223 F N 4.380 124.251 119.950 -0.131 0.000 2.661 223 F HA -0.035 nan 4.527 nan 0.000 0.356 223 F C -0.513 174.773 175.800 -0.856 0.000 1.244 223 F CA -1.198 56.574 58.000 -0.379 0.000 1.290 223 F CB -0.657 38.148 39.000 -0.326 0.000 1.677 223 F HN 0.162 8.498 8.300 0.180 0.072 0.649 224 H N 5.044 123.754 119.070 -0.599 0.000 2.436 224 H HA -0.143 nan 4.556 nan 0.000 0.294 224 H C -0.625 174.284 175.328 -0.698 0.000 1.048 224 H CA 1.459 57.193 56.048 -0.523 0.000 1.353 224 H CB 0.740 30.401 29.762 -0.167 0.000 1.414 224 H HN -0.060 8.040 8.280 -0.211 0.053 0.536 225 N N -2.423 115.822 118.700 -0.758 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.445 174.409 175.510 -1.092 0.000 1.133 225 N CA -1.410 51.284 53.050 -0.593 0.000 0.853 225 N CB 1.640 39.973 38.487 -0.256 0.000 1.241 225 N HN -0.521 7.379 8.380 -0.800 0.000 0.502 226 F N -0.584 119.022 119.950 -0.572 0.000 2.530 226 F HA -0.035 nan 4.527 nan 0.000 0.292 226 F C 0.955 176.654 175.800 -0.169 0.000 1.109 226 F CA 1.851 59.617 58.000 -0.391 0.000 1.450 226 F CB 0.736 39.680 39.000 -0.092 0.000 1.114 226 F HN 0.424 8.759 8.300 0.059 0.000 0.560 227 D N -0.899 119.501 120.400 0.000 0.000 2.104 227 D HA -0.257 nan 4.640 nan 0.000 0.194 227 D C 0.762 177.071 176.300 0.013 0.000 0.994 227 D CA 2.692 56.697 54.000 0.009 0.000 0.830 227 D CB -0.300 40.491 40.800 -0.015 0.000 0.959 227 D HN -0.706 7.896 8.370 -0.017 -0.243 0.452 228 E N -0.363 119.799 120.200 -0.063 0.000 2.493 228 E HA 0.076 nan 4.350 nan 0.000 0.255 228 E C -1.334 175.349 176.600 0.138 0.000 0.999 228 E CA -1.122 55.273 56.400 -0.007 0.000 0.934 228 E CB -0.686 28.962 29.700 -0.085 0.000 0.940 228 E HN 0.014 8.273 8.360 -0.168 0.000 0.473 229 P HA -0.150 nan 4.420 nan 0.000 0.267 229 P C -1.586 175.865 177.300 0.251 0.000 1.195 229 P CA 0.673 63.899 63.100 0.210 0.000 0.773 229 P CB 0.350 32.148 31.700 0.164 0.000 0.837 230 L N 1.582 122.958 121.223 0.255 0.000 2.325 230 L HA 0.199 nan 4.340 nan 0.000 0.279 230 L C -0.129 176.834 176.870 0.155 0.000 1.054 230 L CA -0.690 54.260 54.840 0.184 0.000 0.804 230 L CB 1.072 43.200 42.059 0.115 0.000 1.200 230 L HN 0.312 8.606 8.230 0.289 0.110 0.436 231 E N 2.021 122.294 120.200 0.121 0.000 2.422 231 E HA -0.151 nan 4.350 nan 0.000 0.260 231 E C 0.351 177.005 176.600 0.091 0.000 1.108 231 E CA 0.638 57.105 56.400 0.111 0.000 0.943 231 E CB 0.780 30.544 29.700 0.106 0.000 0.961 231 E HN 0.282 8.711 8.360 0.115 0.000 0.443 232 G N -0.517 108.344 108.800 0.101 0.000 2.377 232 G HA2 0.390 nan 3.960 nan 0.000 0.299 232 G HA3 0.390 nan 3.960 nan 0.000 0.299 232 G C -1.756 173.251 174.900 0.179 0.000 1.150 232 G CA -0.414 44.734 45.100 0.081 0.000 0.847 232 G HN 0.016 8.374 8.290 0.113 0.000 0.501 233 Y N 3.975 124.250 120.300 -0.040 0.000 2.474 233 Y HA 0.070 nan 4.550 nan 0.000 0.326 233 Y C -2.919 172.937 175.900 -0.073 0.000 1.160 233 Y CA 0.466 58.549 58.100 -0.028 0.000 1.056 233 Y CB 4.255 42.707 38.460 -0.013 0.000 1.330 233 Y HN 0.875 9.086 8.280 0.061 0.106 0.447 234 A N 5.800 128.153 122.820 -0.777 0.000 2.293 234 A HA 0.464 nan 4.320 nan 0.000 0.312 234 A C -1.829 175.103 177.584 -1.087 0.000 1.309 234 A CA -4.433 47.128 52.037 -0.794 0.000 0.839 234 A CB 0.556 19.142 19.000 -0.690 0.000 1.155 234 A HN 0.284 7.946 8.150 -0.813 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.724 176.543 177.300 -0.054 0.000 1.148 235 P CA 1.134 64.040 63.100 -0.323 0.000 0.803 235 P CB 0.172 31.793 31.700 -0.131 0.000 0.782 236 H N -6.866 112.114 119.070 -0.150 0.000 2.880 236 H HA -0.285 nan 4.556 nan 0.000 0.304 236 H C -1.698 173.629 175.328 -0.002 0.000 1.259 236 H CA 0.345 56.356 56.048 -0.061 0.000 1.153 236 H CB -1.886 27.848 29.762 -0.047 0.000 1.395 236 H HN 0.384 8.362 8.280 -0.424 0.047 0.420 237 L N -0.550 120.724 121.223 0.085 0.000 2.377 237 L HA 0.361 nan 4.340 nan 0.000 0.270 237 L C -1.221 175.774 176.870 0.209 0.000 0.991 237 L CA -0.901 54.014 54.840 0.125 0.000 0.851 237 L CB 1.747 43.822 42.059 0.027 0.000 1.218 237 L HN -0.286 7.967 8.230 0.039 0.000 0.420 238 T N -0.508 114.146 114.554 0.166 0.000 2.875 238 T HA 0.463 nan 4.350 nan 0.000 0.284 238 T C -0.118 174.679 174.700 0.162 0.000 0.995 238 T CA -2.450 59.736 62.100 0.143 0.000 1.060 238 T CB 1.153 70.075 68.868 0.090 0.000 0.967 238 T HN 0.106 8.433 8.240 0.145 0.000 0.476 239 S N 3.274 119.042 115.700 0.114 0.000 2.499 239 S HA 0.257 nan 4.470 nan 0.000 0.275 239 S C 1.631 176.300 174.600 0.114 0.000 1.257 239 S CA -1.263 57.008 58.200 0.119 0.000 1.050 239 S CB 0.819 64.010 63.200 -0.016 0.000 0.937 239 S HN 0.144 8.483 8.310 0.048 0.000 0.490 240 L N 1.458 122.782 121.223 0.169 0.000 2.549 240 L HA -0.046 nan 4.340 nan 0.000 0.229 240 L C 0.559 177.511 176.870 0.136 0.000 1.158 240 L CA 2.062 56.993 54.840 0.152 0.000 0.842 240 L CB -0.741 41.427 42.059 0.183 0.000 0.952 240 L HN -0.012 8.586 8.230 0.222 -0.235 0.452 241 V N -7.546 112.450 119.914 0.136 0.000 3.041 241 V HA -0.010 nan 4.120 nan 0.000 0.260 241 V C 0.506 176.632 176.094 0.053 0.000 1.105 241 V CA 0.201 62.566 62.300 0.109 0.000 1.125 241 V CB -0.685 31.201 31.823 0.106 0.000 0.730 241 V HN 0.208 8.417 8.190 0.138 0.064 0.479 242 S N 0.033 115.755 115.700 0.037 0.000 2.873 242 S HA 0.283 nan 4.470 nan 0.000 0.303 242 S C 0.604 175.213 174.600 0.015 0.000 1.222 242 S CA -0.224 57.985 58.200 0.016 0.000 0.923 242 S CB 1.493 64.693 63.200 0.000 0.000 1.286 242 S HN -0.738 7.541 8.310 0.047 0.058 0.571 243 G N -0.003 108.800 108.800 0.005 0.000 2.453 243 G HA2 0.103 nan 3.960 nan 0.000 0.215 243 G HA3 0.103 nan 3.960 nan 0.000 0.215 243 G C -0.234 174.668 174.900 0.003 0.000 1.147 243 G CA 0.708 45.812 45.100 0.007 0.000 0.802 243 G HN 0.306 8.596 8.290 -0.000 0.000 0.535 244 L N 0.532 121.747 121.223 -0.013 0.000 2.456 244 L HA 0.096 nan 4.340 nan 0.000 0.246 244 L C -0.623 176.223 176.870 -0.040 0.000 1.238 244 L CA 0.389 55.211 54.840 -0.030 0.000 0.826 244 L CB 0.929 42.961 42.059 -0.045 0.000 1.150 244 L HN -0.690 7.476 8.230 -0.015 0.055 0.514 245 Q N -4.824 114.944 119.800 -0.053 0.000 2.501 245 Q HA 0.341 nan 4.340 nan 0.000 0.288 245 Q C -1.198 174.758 176.000 -0.074 0.000 1.051 245 Q CA -1.678 54.104 55.803 -0.034 0.000 0.788 245 Q CB 2.835 31.602 28.738 0.048 0.000 1.469 245 Q HN -0.180 8.058 8.270 -0.054 0.000 0.416 246 Y N 0.413 120.708 120.300 -0.007 0.000 2.828 246 Y HA -0.312 nan 4.550 nan 0.000 0.359 246 Y C -0.124 175.756 175.900 -0.032 0.000 1.258 246 Y CA 1.381 59.475 58.100 -0.011 0.000 1.652 246 Y CB -1.131 37.320 38.460 -0.015 0.000 1.232 246 Y HN -0.300 8.136 8.280 0.260 0.000 0.513 247 A N 6.775 129.639 122.820 0.074 0.000 2.567 247 A HA -0.170 nan 4.320 nan 0.000 0.240 247 A C -1.277 176.316 177.584 0.015 0.000 1.053 247 A CA 0.770 52.822 52.037 0.025 0.000 0.755 247 A CB 0.506 19.520 19.000 0.023 0.000 0.978 247 A HN 0.194 8.369 8.150 0.041 0.000 0.507 248 S N 0.137 115.809 115.700 -0.046 0.000 2.509 248 S HA 0.172 nan 4.470 nan 0.000 0.297 248 S C -0.883 173.644 174.600 -0.120 0.000 1.118 248 S CA -1.526 56.624 58.200 -0.084 0.000 1.074 248 S CB 1.993 65.095 63.200 -0.165 0.000 1.038 248 S HN -0.327 7.946 8.310 -0.062 0.000 0.498 249 R N 3.566 123.991 120.500 -0.125 0.000 2.234 249 R HA 0.445 nan 4.340 nan 0.000 0.324 249 R C -1.699 174.436 176.300 -0.274 0.000 1.054 249 R CA -2.685 53.255 56.100 -0.266 0.000 0.912 249 R CB 0.683 30.857 30.300 -0.210 0.000 1.030 249 R HN 0.071 8.304 8.270 -0.061 0.000 0.455 250 P HA -0.019 nan 4.420 nan 0.000 0.272 250 P C -1.409 175.809 177.300 -0.136 0.000 1.240 250 P CA -0.586 62.410 63.100 -0.174 0.000 0.791 250 P CB 0.514 32.213 31.700 -0.002 0.000 0.978 251 E N -1.659 118.592 120.200 0.084 0.000 2.392 251 E HA -0.220 nan 4.350 nan 0.000 0.256 251 E C 0.312 177.122 176.600 0.350 0.000 1.145 251 E CA -0.472 56.034 56.400 0.176 0.000 0.929 251 E CB -0.069 29.711 29.700 0.134 0.000 0.998 251 E HN -0.143 8.265 8.360 0.080 0.000 0.442 252 G N 0.400 109.386 108.800 0.311 0.000 2.142 252 G HA2 -0.402 nan 3.960 nan 0.000 0.225 252 G HA3 -0.402 nan 3.960 nan 0.000 0.225 252 G C -1.490 173.558 174.900 0.246 0.000 1.015 252 G CA 0.026 45.273 45.100 0.246 0.000 0.716 252 G HN 0.046 8.489 8.290 0.255 0.000 0.508 253 Y N -0.148 120.219 120.300 0.112 0.000 2.342 253 Y HA 0.149 nan 4.550 nan 0.000 0.338 253 Y C -1.100 174.900 175.900 0.167 0.000 0.965 253 Y CA -2.040 56.143 58.100 0.139 0.000 1.159 253 Y CB 0.548 39.084 38.460 0.126 0.000 1.157 253 Y HN -0.837 7.725 8.280 0.471 0.000 0.486 254 S N 3.103 118.916 115.700 0.189 0.000 2.603 254 S HA 0.234 nan 4.470 nan 0.000 0.268 254 S C -0.979 173.778 174.600 0.261 0.000 1.317 254 S CA -0.876 57.429 58.200 0.175 0.000 1.012 254 S CB 1.026 64.246 63.200 0.033 0.000 0.926 254 S HN 0.497 8.856 8.310 0.080 0.000 0.539 255 I N 3.678 124.392 120.570 0.240 0.000 2.696 255 I HA -0.057 nan 4.170 nan 0.000 0.284 255 I C -1.570 174.641 176.117 0.157 0.000 1.129 255 I CA -0.182 61.285 61.300 0.278 0.000 1.410 255 I CB 0.897 39.129 38.000 0.388 0.000 1.399 255 I HN 0.052 8.394 8.210 0.220 0.000 0.579 256 H N 6.486 125.632 119.070 0.127 0.000 2.768 256 H HA 0.239 nan 4.556 nan 0.000 0.371 256 H C -1.404 173.962 175.328 0.064 0.000 1.151 256 H CA -1.135 54.964 56.048 0.085 0.000 1.165 256 H CB 3.240 33.053 29.762 0.085 0.000 1.722 256 H HN 0.359 8.826 8.280 0.313 0.000 0.543 257 D N 1.747 122.228 120.400 0.137 0.000 2.364 257 D HA 0.100 nan 4.640 nan 0.000 0.236 257 D C -0.866 175.485 176.300 0.085 0.000 1.221 257 D CA 1.103 55.138 54.000 0.059 0.000 0.891 257 D CB 0.549 41.352 40.800 0.006 0.000 1.190 257 D HN 0.101 8.530 8.370 0.099 0.000 0.449 258 L N -0.886 120.363 121.223 0.043 0.000 2.323 258 L HA 0.291 nan 4.340 nan 0.000 0.265 258 L C 0.468 177.369 176.870 0.051 0.000 1.012 258 L CA -1.056 53.830 54.840 0.076 0.000 0.820 258 L CB 2.355 44.476 42.059 0.104 0.000 1.334 258 L HN 0.220 8.444 8.230 -0.010 0.000 0.427 259 S N 0.846 116.602 115.700 0.094 0.000 2.465 259 S HA -0.281 nan 4.470 nan 0.000 0.241 259 S C 0.033 174.673 174.600 0.066 0.000 1.000 259 S CA 2.797 61.048 58.200 0.086 0.000 0.964 259 S CB -0.205 63.073 63.200 0.131 0.000 0.763 259 S HN 0.810 9.194 8.310 0.124 0.000 0.512 260 D N 0.801 121.231 120.400 0.050 0.000 2.429 260 D HA -0.003 nan 4.640 nan 0.000 0.242 260 D C -0.507 175.678 176.300 -0.192 0.000 1.076 260 D CA 0.725 54.695 54.000 -0.050 0.000 0.955 260 D CB 0.810 41.598 40.800 -0.020 0.000 1.076 260 D HN 0.052 8.449 8.370 0.098 0.032 0.448 261 V N 1.152 120.886 119.914 -0.300 0.000 2.555 261 V HA 0.142 nan 4.120 nan 0.000 0.302 261 V C -1.319 174.615 176.094 -0.267 0.000 1.038 261 V CA -1.443 60.615 62.300 -0.404 0.000 0.887 261 V CB 2.714 34.094 31.823 -0.738 0.000 0.991 261 V HN -0.437 7.624 8.190 -0.214 0.000 0.434 262 D N 3.728 123.958 120.400 -0.282 0.000 2.304 262 D HA 0.062 nan 4.640 nan 0.000 0.247 262 D C 1.050 177.179 176.300 -0.285 0.000 1.089 262 D CA -0.297 53.566 54.000 -0.228 0.000 0.910 262 D CB 1.144 41.821 40.800 -0.205 0.000 1.199 262 D HN -0.085 8.095 8.370 -0.317 0.000 0.426 263 V N 1.173 120.964 119.914 -0.205 0.000 2.568 263 V HA -0.430 nan 4.120 nan 0.000 0.253 263 V C 1.800 177.644 176.094 -0.416 0.000 1.072 263 V CA 4.093 66.253 62.300 -0.234 0.000 1.084 263 V CB -0.747 31.003 31.823 -0.122 0.000 0.676 263 V HN 0.186 8.608 8.190 -0.146 -0.321 0.469 264 Q N -1.524 118.060 119.800 -0.361 0.000 2.079 264 Q HA -0.378 nan 4.340 nan 0.000 0.200 264 Q C 1.531 177.244 176.000 -0.478 0.000 0.974 264 Q CA 3.436 59.009 55.803 -0.384 0.000 0.840 264 Q CB -0.266 28.308 28.738 -0.272 0.000 0.898 264 Q HN 0.171 8.256 8.270 -0.280 0.017 0.430 265 D N 0.537 120.593 120.400 -0.573 0.000 2.218 265 D HA -0.243 nan 4.640 nan 0.000 0.204 265 D C 2.299 177.764 176.300 -1.393 0.000 0.976 265 D CA 3.115 56.584 54.000 -0.884 0.000 0.853 265 D CB 0.041 40.308 40.800 -0.888 0.000 0.939 265 D HN -0.615 7.693 8.370 -0.481 -0.226 0.481 266 M N -0.866 118.131 119.600 -1.005 0.000 2.080 266 M HA -0.302 nan 4.480 nan 0.000 0.260 266 M C 2.455 178.567 176.300 -0.315 0.000 1.068 266 M CA 3.106 58.105 55.300 -0.501 0.000 1.109 266 M CB -0.913 31.580 32.600 -0.179 0.000 1.342 266 M HN -0.429 7.377 8.290 -0.800 0.004 0.405 267 V N -0.392 119.206 119.914 -0.527 0.000 2.407 267 V HA -0.468 nan 4.120 nan 0.000 0.248 267 V C 2.217 178.169 176.094 -0.237 0.000 1.055 267 V CA 4.237 66.287 62.300 -0.417 0.000 1.049 267 V CB -1.149 30.384 31.823 -0.483 0.000 0.662 267 V HN -0.227 7.504 8.190 -0.616 0.090 0.455 268 R N -0.427 119.868 120.500 -0.341 0.000 2.070 268 R HA -0.348 nan 4.340 nan 0.000 0.232 268 R C 1.984 178.189 176.300 -0.159 0.000 1.138 268 R CA 3.900 59.832 56.100 -0.280 0.000 0.936 268 R CB 0.010 30.088 30.300 -0.370 0.000 0.839 268 R HN 0.179 7.987 8.270 -0.464 0.184 0.429 269 W N -2.361 118.841 121.300 -0.164 0.000 2.290 269 W HA -0.334 nan 4.660 nan 0.000 0.311 269 W C 2.427 178.901 176.519 -0.074 0.000 1.238 269 W CA 2.432 59.686 57.345 -0.152 0.000 1.255 269 W CB -1.029 28.405 29.460 -0.042 0.000 1.145 269 W HN -0.099 7.753 8.180 -0.547 0.000 0.506 270 R N -1.955 118.673 120.500 0.214 0.000 2.073 270 R HA -0.447 nan 4.340 nan 0.000 0.234 270 R C 1.948 178.277 176.300 0.048 0.000 1.134 270 R CA 3.867 60.052 56.100 0.141 0.000 0.952 270 R CB -0.292 30.142 30.300 0.223 0.000 0.850 270 R HN -0.478 7.907 8.270 0.207 0.009 0.433 271 E N -1.392 118.817 120.200 0.015 0.000 2.072 271 E HA -0.255 nan 4.350 nan 0.000 0.191 271 E C 2.776 179.365 176.600 -0.018 0.000 0.985 271 E CA 2.490 58.883 56.400 -0.011 0.000 0.801 271 E CB -0.859 28.824 29.700 -0.028 0.000 0.750 271 E HN -0.387 7.891 8.360 0.003 0.084 0.452 272 R N -1.048 119.419 120.500 -0.055 0.000 2.159 272 R HA -0.266 nan 4.340 nan 0.000 0.237 272 R C 3.026 179.367 176.300 0.069 0.000 1.131 272 R CA 2.984 59.016 56.100 -0.112 0.000 0.982 272 R CB -0.158 29.808 30.300 -0.556 0.000 0.868 272 R HN 0.187 8.415 8.270 -0.069 0.000 0.453 273 I N 0.011 120.644 120.570 0.104 0.000 2.270 273 I HA -0.359 nan 4.170 nan 0.000 0.239 273 I C 1.428 177.518 176.117 -0.045 0.000 1.080 273 I CA 3.700 65.066 61.300 0.110 0.000 1.383 273 I CB 0.264 38.277 38.000 0.022 0.000 1.097 273 I HN -0.088 8.028 8.210 0.059 0.130 0.420 274 L N -1.831 119.350 121.223 -0.071 0.000 2.201 274 L HA -0.417 nan 4.340 nan 0.000 0.212 274 L C 2.310 179.112 176.870 -0.113 0.000 1.105 274 L CA 2.812 57.583 54.840 -0.116 0.000 0.775 274 L CB -1.045 40.961 42.059 -0.088 0.000 0.913 274 L HN 0.014 8.219 8.230 -0.041 0.000 0.440 275 D N -0.293 120.065 120.400 -0.071 0.000 2.097 275 D HA -0.272 nan 4.640 nan 0.000 0.195 275 D C 1.404 177.619 176.300 -0.141 0.000 0.989 275 D CA 3.639 57.595 54.000 -0.074 0.000 0.827 275 D CB -0.073 40.713 40.800 -0.022 0.000 0.966 275 D HN -0.068 8.264 8.370 -0.040 0.014 0.456 276 A N -1.002 121.739 122.820 -0.133 0.000 2.067 276 A HA -0.173 nan 4.320 nan 0.000 0.219 276 A C 2.229 179.605 177.584 -0.347 0.000 1.158 276 A CA 2.673 54.562 52.037 -0.248 0.000 0.661 276 A CB -0.782 18.177 19.000 -0.068 0.000 0.801 276 A HN -0.469 7.552 8.150 -0.049 0.099 0.452 277 I N -2.146 118.219 120.570 -0.342 0.000 2.163 277 I HA -0.502 nan 4.170 nan 0.000 0.240 277 I C 1.292 177.045 176.117 -0.608 0.000 1.081 277 I CA 3.883 64.905 61.300 -0.464 0.000 1.353 277 I CB -0.325 37.459 38.000 -0.360 0.000 1.054 277 I HN -0.102 7.851 8.210 -0.263 0.099 0.407 278 N N -1.555 116.935 118.700 -0.350 0.000 2.104 278 N HA -0.214 nan 4.740 nan 0.000 0.190 278 N C 2.148 177.611 175.510 -0.078 0.000 1.024 278 N CA 2.587 55.517 53.050 -0.200 0.000 0.853 278 N CB 0.175 38.612 38.487 -0.083 0.000 1.008 278 N HN -0.667 7.489 8.380 -0.258 0.069 0.424 279 M N -2.079 117.426 119.600 -0.159 0.000 2.476 279 M HA -0.209 nan 4.480 nan 0.000 0.262 279 M C -0.499 175.808 176.300 0.012 0.000 1.079 279 M CA 2.445 57.678 55.300 -0.113 0.000 1.104 279 M CB 0.219 32.542 32.600 -0.462 0.000 1.409 279 M HN 0.370 8.410 8.290 -0.236 0.108 0.467 280 H N -6.943 112.061 119.070 -0.111 0.000 2.936 280 H HA -0.385 nan 4.556 nan 0.000 0.276 280 H C -1.533 173.864 175.328 0.114 0.000 1.216 280 H CA 1.334 57.403 56.048 0.035 0.000 1.132 280 H CB -3.079 26.768 29.762 0.143 0.000 1.303 280 H HN -0.269 7.501 8.280 -0.434 0.249 0.370 281 Y N -6.599 113.742 120.300 0.069 0.000 2.670 281 Y HA 0.850 nan 4.550 nan 0.000 0.334 281 Y C -2.525 173.400 175.900 0.043 0.000 1.185 281 Y CA -2.271 55.868 58.100 0.064 0.000 1.053 281 Y CB 3.168 41.678 38.460 0.083 0.000 1.298 281 Y HN -0.431 7.617 8.280 -0.387 0.000 0.459 282 I N -4.194 116.584 120.570 0.346 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.498 174.811 176.117 0.321 0.000 1.078 282 I CA -1.723 59.749 61.300 0.288 0.000 1.048 282 I CB 3.837 41.867 38.000 0.050 0.000 1.239 282 I HN 0.155 8.570 8.210 0.342 0.000 0.421 283 V N -1.789 118.335 119.914 0.349 0.000 2.348 283 V HA 0.425 nan 4.120 nan 0.000 0.270 283 V C -0.139 176.073 176.094 0.197 0.000 1.037 283 V CA -2.481 59.932 62.300 0.188 0.000 0.872 283 V CB -0.852 30.996 31.823 0.041 0.000 1.002 283 V HN -0.211 8.270 8.190 0.486 0.000 0.464 284 D N 7.814 128.291 120.400 0.127 0.000 2.398 284 D HA 0.170 nan 4.640 nan 0.000 0.247 284 D C 1.345 177.691 176.300 0.076 0.000 1.227 284 D CA -0.899 53.168 54.000 0.113 0.000 0.980 284 D CB 0.940 41.783 40.800 0.072 0.000 1.106 284 D HN -0.454 7.976 8.370 0.101 0.000 0.493 285 K N -0.257 120.186 120.400 0.071 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.088 176.703 176.600 0.024 0.000 1.040 285 K CA 2.350 58.666 56.287 0.047 0.000 0.950 285 K CB -0.716 31.814 32.500 0.050 0.000 0.781 285 K HN 0.518 8.818 8.250 0.083 0.000 0.486 286 D N -5.473 114.938 120.400 0.019 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.156 176.140 176.300 -0.006 0.000 1.065 286 D CA -0.671 53.333 54.000 0.006 0.000 0.848 286 D CB -0.335 40.469 40.800 0.006 0.000 0.949 286 D HN -0.536 7.775 8.370 0.027 0.075 0.509 287 N N -3.569 115.124 118.700 -0.010 0.000 2.994 287 N HA -0.415 nan 4.740 nan 0.000 0.221 287 N C -1.155 174.339 175.510 -0.027 0.000 0.900 287 N CA 1.522 54.554 53.050 -0.031 0.000 1.008 287 N CB -1.576 36.886 38.487 -0.042 0.000 1.053 287 N HN 0.433 8.697 8.380 0.002 0.117 0.580 288 N N 1.897 120.588 118.700 -0.014 0.000 2.488 288 N HA 0.041 nan 4.740 nan 0.000 0.274 288 N C -0.948 174.551 175.510 -0.019 0.000 1.111 288 N CA 0.436 53.470 53.050 -0.026 0.000 0.974 288 N CB 1.045 39.520 38.487 -0.019 0.000 1.089 288 N HN -0.453 8.189 8.380 -0.002 -0.263 0.465 289 K N 2.604 122.960 120.400 -0.074 0.000 2.292 289 K HA 0.198 nan 4.320 nan 0.000 0.290 289 K C -0.246 176.340 176.600 -0.023 0.000 1.083 289 K CA -0.272 55.958 56.287 -0.096 0.000 0.918 289 K CB -0.530 31.721 32.500 -0.414 0.000 1.089 289 K HN 0.173 8.361 8.250 -0.104 0.000 0.473 290 I N 0.843 121.447 120.570 0.057 0.000 2.488 290 I HA 0.548 nan 4.170 nan 0.000 0.299 290 I C -2.040 174.149 176.117 0.121 0.000 0.984 290 I CA -3.334 58.004 61.300 0.063 0.000 1.250 290 I CB 0.987 39.016 38.000 0.047 0.000 1.389 290 I HN 0.294 8.557 8.210 0.088 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.720 176.708 177.300 0.213 0.000 1.216 291 P CA -0.185 63.026 63.100 0.185 0.000 0.771 291 P CB 0.122 31.915 31.700 0.155 0.000 0.864 292 L N 5.596 126.973 121.223 0.257 0.000 2.391 292 L HA -0.051 nan 4.340 nan 0.000 0.249 292 L C -0.556 176.596 176.870 0.470 0.000 1.308 292 L CA -0.838 54.188 54.840 0.310 0.000 1.209 292 L CB -1.344 40.794 42.059 0.132 0.000 1.401 292 L HN 0.265 8.577 8.230 0.286 0.090 0.416 293 D N 3.110 123.716 120.400 0.343 0.000 2.354 293 D HA -0.097 nan 4.640 nan 0.000 0.238 293 D C 1.012 177.374 176.300 0.102 0.000 1.250 293 D CA 0.123 54.261 54.000 0.229 0.000 0.911 293 D CB 2.134 43.070 40.800 0.227 0.000 1.163 293 D HN -0.345 8.135 8.370 0.299 0.069 0.456 294 I N -0.045 120.370 120.570 -0.257 0.000 2.113 294 I HA -0.477 nan 4.170 nan 0.000 0.238 294 I C 1.610 177.379 176.117 -0.580 0.000 1.070 294 I CA 3.559 64.310 61.300 -0.916 0.000 1.332 294 I CB 0.147 37.717 38.000 -0.717 0.000 1.044 294 I HN 0.123 8.242 8.210 -0.152 0.000 0.402 295 E N -1.934 118.038 120.200 -0.380 0.000 2.001 295 E HA -0.357 nan 4.350 nan 0.000 0.193 295 E C 2.914 179.354 176.600 -0.267 0.000 0.994 295 E CA 2.899 59.068 56.400 -0.385 0.000 0.815 295 E CB -0.085 29.237 29.700 -0.631 0.000 0.770 295 E HN -0.615 7.666 8.360 -0.332 -0.121 0.453 296 H N -1.090 118.002 119.070 0.037 0.000 2.421 296 H HA -0.183 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.976 175.328 0.147 0.000 1.087 296 H CA 2.709 58.804 56.048 0.078 0.000 1.330 296 H CB -0.353 29.449 29.762 0.067 0.000 1.388 296 H HN 0.083 8.454 8.280 -0.450 -0.361 0.526 297 G N -1.655 107.335 108.800 0.316 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.771 175.911 174.900 0.401 0.000 1.113 297 G CA 2.490 47.870 45.100 0.466 0.000 0.748 297 G HN -0.211 8.200 8.290 0.261 0.036 0.585 298 T N 2.206 116.958 114.554 0.331 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.764 176.607 174.700 0.238 0.000 1.078 298 T CA 3.773 66.045 62.100 0.286 0.000 1.132 298 T CB -0.302 68.677 68.868 0.185 0.000 0.900 298 T HN -0.714 7.629 8.240 0.260 0.053 0.480 299 D N 2.844 123.357 120.400 0.189 0.000 2.123 299 D HA -0.090 nan 4.640 nan 0.000 0.200 299 D C 1.304 177.700 176.300 0.160 0.000 0.976 299 D CA 2.918 57.015 54.000 0.162 0.000 0.831 299 D CB 0.007 40.888 40.800 0.134 0.000 0.974 299 D HN -0.113 8.366 8.370 0.181 0.000 0.469 300 I N -4.046 116.615 120.570 0.151 0.000 2.928 300 I HA -0.054 nan 4.170 nan 0.000 0.266 300 I C 1.619 177.756 176.117 0.034 0.000 1.234 300 I CA 2.679 64.034 61.300 0.090 0.000 1.483 300 I CB -0.015 38.034 38.000 0.082 0.000 1.097 300 I HN -0.397 7.921 8.210 0.179 0.000 0.455 301 L N 0.867 122.139 121.223 0.080 0.000 2.162 301 L HA 0.001 nan 4.340 nan 0.000 0.205 301 L C 1.373 178.342 176.870 0.165 0.000 1.086 301 L CA 2.126 56.967 54.840 0.003 0.000 0.778 301 L CB -0.067 41.980 42.059 -0.019 0.000 0.928 301 L HN 0.218 8.444 8.230 0.159 0.100 0.446 302 G N -1.612 107.442 108.800 0.425 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.811 174.900 0.279 0.000 1.162 302 G CA 2.491 47.962 45.100 0.617 0.000 0.777 302 G HN -0.056 8.358 8.290 0.379 0.104 0.539 303 D N 0.874 121.351 120.400 0.129 0.000 2.097 303 D HA -0.325 nan 4.640 nan 0.000 0.195 303 D C 2.131 178.422 176.300 -0.015 0.000 0.989 303 D CA 2.819 56.828 54.000 0.016 0.000 0.827 303 D CB -0.719 40.102 40.800 0.035 0.000 0.966 303 D HN 0.166 8.628 8.370 0.153 0.000 0.456 304 I N -0.530 120.035 120.570 -0.009 0.000 2.127 304 I HA -0.467 nan 4.170 nan 0.000 0.241 304 I C 2.105 178.207 176.117 -0.025 0.000 1.075 304 I CA 3.137 64.410 61.300 -0.046 0.000 1.334 304 I CB 0.205 38.090 38.000 -0.192 0.000 1.040 304 I HN -0.895 7.315 8.210 0.001 0.000 0.405 305 I N -1.715 118.850 120.570 -0.009 0.000 2.394 305 I HA -0.455 nan 4.170 nan 0.000 0.251 305 I C 1.373 177.567 176.117 0.128 0.000 1.136 305 I CA 2.232 63.559 61.300 0.045 0.000 1.425 305 I CB -0.771 37.211 38.000 -0.030 0.000 1.079 305 I HN -0.015 8.188 8.210 -0.012 0.000 0.425 306 E N -0.133 120.072 120.200 0.008 0.000 2.023 306 E HA -0.286 nan 4.350 nan 0.000 0.196 306 E C -0.047 176.583 176.600 0.050 0.000 1.003 306 E CA 3.394 59.714 56.400 -0.133 0.000 0.809 306 E CB 0.135 29.419 29.700 -0.692 0.000 0.755 306 E HN -0.422 7.890 8.360 -0.041 0.024 0.449 307 S N -3.727 111.964 115.700 -0.015 0.000 2.687 307 S HA 0.324 nan 4.470 nan 0.000 0.283 307 S C -0.257 174.314 174.600 -0.048 0.000 1.170 307 S CA -0.511 57.668 58.200 -0.036 0.000 1.008 307 S CB 1.728 64.918 63.200 -0.016 0.000 1.026 307 S HN -0.499 7.794 8.310 -0.028 0.000 0.541 308 S N 0.376 116.055 115.700 -0.035 0.000 2.738 308 S HA 0.225 nan 4.470 nan 0.000 0.284 308 S C 1.462 176.074 174.600 0.020 0.000 1.146 308 S CA -0.323 57.875 58.200 -0.005 0.000 0.997 308 S CB 1.802 65.004 63.200 0.005 0.000 1.081 308 S HN 0.405 8.603 8.310 -0.032 0.093 0.553 309 D N 3.404 123.822 120.400 0.030 0.000 2.149 309 D HA -0.208 nan 4.640 nan 0.000 0.198 309 D C 1.030 177.347 176.300 0.029 0.000 0.990 309 D CA 3.145 57.160 54.000 0.025 0.000 0.839 309 D CB -0.080 40.721 40.800 0.002 0.000 0.948 309 D HN 0.550 8.940 8.370 0.033 0.000 0.460 310 E N -1.665 118.559 120.200 0.039 0.000 2.510 310 E HA -0.170 nan 4.350 nan 0.000 0.202 310 E C -0.511 176.112 176.600 0.039 0.000 1.072 310 E CA 0.806 57.232 56.400 0.043 0.000 0.883 310 E CB -0.409 29.326 29.700 0.058 0.000 0.818 310 E HN 0.216 8.605 8.360 0.049 0.000 0.548 311 S N -0.233 115.489 115.700 0.036 0.000 2.429 311 S HA -0.096 nan 4.470 nan 0.000 0.292 311 S C 0.279 174.922 174.600 0.072 0.000 1.183 311 S CA 0.141 58.367 58.200 0.044 0.000 1.088 311 S CB -0.023 63.203 63.200 0.042 0.000 1.018 311 S HN -0.628 7.490 8.310 0.032 0.211 0.511 312 K N 4.451 124.896 120.400 0.074 0.000 2.113 312 K HA -0.265 nan 4.320 nan 0.000 0.208 312 K C -0.531 176.162 176.600 0.154 0.000 1.047 312 K CA 2.379 58.723 56.287 0.094 0.000 0.928 312 K CB 0.177 32.724 32.500 0.079 0.000 0.716 312 K HN -0.059 8.221 8.250 0.049 0.000 0.446 313 N N -4.692 114.164 118.700 0.260 0.000 2.249 313 N HA 0.206 nan 4.740 nan 0.000 0.296 313 N C -0.156 175.501 175.510 0.246 0.000 1.051 313 N CA -1.294 51.922 53.050 0.276 0.000 0.815 313 N CB 2.508 41.194 38.487 0.332 0.000 1.487 313 N HN -0.474 8.081 8.380 0.292 0.000 0.475 314 V N -0.748 119.241 119.914 0.126 0.000 2.690 314 V HA 0.275 nan 4.120 nan 0.000 0.240 314 V C 1.173 177.263 176.094 -0.007 0.000 1.078 314 V CA 2.002 64.334 62.300 0.053 0.000 1.102 314 V CB 0.353 32.211 31.823 0.058 0.000 0.800 314 V HN 0.497 8.758 8.190 0.118 0.000 0.479 315 E N 1.525 121.758 120.200 0.056 0.000 2.107 315 E HA -0.362 nan 4.350 nan 0.000 0.191 315 E C 1.753 178.422 176.600 0.114 0.000 0.982 315 E CA 2.799 59.256 56.400 0.096 0.000 0.809 315 E CB -0.339 29.436 29.700 0.125 0.000 0.756 315 E HN -0.279 8.272 8.360 0.083 -0.141 0.459 316 Y N 0.716 120.958 120.300 -0.096 0.000 2.206 316 Y HA -0.313 nan 4.550 nan 0.000 0.292 316 Y C 2.133 177.802 175.900 -0.385 0.000 1.123 316 Y CA 4.390 62.344 58.100 -0.242 0.000 1.142 316 Y CB 0.676 38.875 38.460 -0.434 0.000 1.006 316 Y HN -0.332 8.280 8.280 0.118 -0.261 0.518 317 Y N -3.893 116.324 120.300 -0.138 0.000 2.462 317 Y HA -0.036 nan 4.550 nan 0.000 0.261 317 Y C -0.147 175.342 175.900 -0.685 0.000 1.146 317 Y CA 0.616 58.555 58.100 -0.269 0.000 1.283 317 Y CB 0.299 38.694 38.460 -0.108 0.000 1.090 317 Y HN -0.319 7.875 8.280 -0.143 0.000 0.526 318 G N -1.238 106.937 108.800 -1.042 0.000 2.553 318 G HA2 -0.379 nan 3.960 nan 0.000 0.242 318 G HA3 -0.379 nan 3.960 nan 0.000 0.242 318 G C -2.112 172.454 174.900 -0.557 0.000 1.277 318 G CA 0.002 44.073 45.100 -1.715 0.000 0.910 318 G HN -0.280 7.543 8.290 -0.618 0.096 0.576 319 S N 0.077 115.615 115.700 -0.270 0.000 2.327 319 S HA 0.225 nan 4.470 nan 0.000 0.203 319 S C 0.338 175.062 174.600 0.208 0.000 1.326 319 S CA -0.683 57.528 58.200 0.018 0.000 1.248 319 S CB 0.473 63.614 63.200 -0.098 0.000 1.199 319 S HN 0.162 8.279 8.310 -0.322 0.000 0.422 320 L N 6.353 127.722 121.223 0.244 0.000 2.081 320 L HA -0.408 nan 4.340 nan 0.000 0.212 320 L C 0.341 177.594 176.870 0.637 0.000 1.080 320 L CA 3.373 58.533 54.840 0.534 0.000 0.754 320 L CB -0.361 41.993 42.059 0.491 0.000 0.893 320 L HN -0.086 8.222 8.230 0.130 0.000 0.433 321 H N -0.381 118.950 119.070 0.435 0.000 2.253 321 H HA -0.439 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.463 175.328 0.144 0.000 1.074 321 H CA 4.523 60.856 56.048 0.474 0.000 1.263 321 H CB -0.211 29.787 29.762 0.394 0.000 1.363 321 H HN 0.003 8.546 8.280 0.469 0.018 0.489 322 N N -0.258 118.180 118.700 -0.437 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.271 175.510 -0.692 0.000 1.030 322 N CA 2.666 55.221 53.050 -0.825 0.000 0.849 322 N CB -0.637 37.590 38.487 -0.433 0.000 1.012 322 N HN -0.407 7.970 8.380 -0.005 0.000 0.423 323 W N -0.915 120.273 121.300 -0.185 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.892 178.286 176.519 -0.209 0.000 1.213 323 W CA 3.044 60.356 57.345 -0.055 0.000 1.274 323 W CB -0.094 29.495 29.460 0.216 0.000 1.148 323 W HN 0.349 8.491 8.180 -0.063 0.000 0.498 324 G N -3.389 105.290 108.800 -0.200 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.148 175.503 174.900 -0.907 0.000 1.136 324 G CA 2.152 46.681 45.100 -0.952 0.000 0.759 324 G HN 0.200 8.504 8.290 0.024 0.000 0.562 325 H N 1.619 120.124 119.070 -0.941 0.000 2.353 325 H HA -0.298 nan 4.556 nan 0.000 0.300 325 H C 2.396 177.495 175.328 -0.383 0.000 1.090 325 H CA 3.603 59.196 56.048 -0.759 0.000 1.327 325 H CB 0.247 29.272 29.762 -1.228 0.000 1.383 325 H HN -0.503 7.215 8.280 -0.719 0.131 0.508 326 V N -1.444 118.406 119.914 -0.108 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.057 178.187 176.094 0.061 0.000 1.049 326 V CA 3.806 66.170 62.300 0.108 0.000 1.003 326 V CB -0.860 31.107 31.823 0.240 0.000 0.634 326 V HN -0.408 7.570 8.190 -0.205 0.090 0.444 327 M N -2.613 117.018 119.600 0.051 0.000 2.144 327 M HA -0.418 nan 4.480 nan 0.000 0.260 327 M C 2.218 178.509 176.300 -0.015 0.000 1.067 327 M CA 3.506 58.838 55.300 0.053 0.000 1.095 327 M CB -0.282 32.373 32.600 0.091 0.000 1.365 327 M HN -0.770 7.573 8.290 0.088 0.000 0.406 328 M N -3.116 116.385 119.600 -0.165 0.000 2.562 328 M HA -0.112 nan 4.480 nan 0.000 0.257 328 M C 0.717 176.959 176.300 -0.097 0.000 1.099 328 M CA 2.379 57.559 55.300 -0.200 0.000 1.099 328 M CB 0.313 32.666 32.600 -0.411 0.000 1.427 328 M HN -0.049 8.084 8.290 -0.262 0.000 0.489 329 A N -1.560 121.235 122.820 -0.041 0.000 2.070 329 A HA 0.120 nan 4.320 nan 0.000 0.202 329 A C 0.233 177.851 177.584 0.057 0.000 1.277 329 A CA 1.894 53.943 52.037 0.020 0.000 0.872 329 A CB 0.835 19.875 19.000 0.066 0.000 0.933 329 A HN 0.113 8.059 8.150 -0.036 0.183 0.475 330 N N -1.294 117.445 118.700 0.066 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.402 176.978 175.510 0.109 0.000 1.144 330 N CA -0.385 52.716 53.050 0.086 0.000 0.837 330 N CB -0.961 37.571 38.487 0.076 0.000 1.069 330 N HN 0.288 8.705 8.380 0.061 0.000 0.487 331 I N -1.497 119.135 120.570 0.105 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.242 176.491 176.117 0.221 0.000 1.257 331 I CA 1.696 63.095 61.300 0.165 0.000 1.465 331 I CB -0.131 37.942 38.000 0.121 0.000 1.091 331 I HN -0.176 7.952 8.210 0.072 0.126 0.467 332 T N -0.573 114.073 114.554 0.153 0.000 3.009 332 T HA -0.064 nan 4.350 nan 0.000 0.258 332 T C -1.176 173.653 174.700 0.216 0.000 1.063 332 T CA 1.306 63.522 62.100 0.193 0.000 1.139 332 T CB 0.763 69.698 68.868 0.112 0.000 0.890 332 T HN 0.008 8.260 8.240 0.116 0.057 0.471 333 D N -1.571 118.939 120.400 0.182 0.000 3.117 333 D HA 0.421 nan 4.640 nan 0.000 0.241 333 D C -2.132 174.275 176.300 0.179 0.000 1.385 333 D CA -1.444 52.684 54.000 0.212 0.000 0.855 333 D CB 0.739 41.757 40.800 0.364 0.000 1.498 333 D HN -0.315 7.963 8.370 0.148 0.181 0.584 334 P HA -0.139 nan 4.420 nan 0.000 0.215 334 P C 0.870 178.240 177.300 0.117 0.000 1.157 334 P CA 1.781 64.948 63.100 0.113 0.000 0.856 334 P CB 0.138 31.904 31.700 0.111 0.000 0.786 335 D N -1.955 118.480 120.400 0.059 0.000 2.158 335 D HA -0.266 nan 4.640 nan 0.000 0.197 335 D C 0.550 176.882 176.300 0.053 0.000 0.995 335 D CA 2.065 56.076 54.000 0.018 0.000 0.846 335 D CB -0.149 40.605 40.800 -0.077 0.000 0.941 335 D HN 0.170 8.555 8.370 0.025 0.000 0.456 336 H N -4.001 115.028 119.070 -0.068 0.000 3.395 336 H HA -0.349 nan 4.556 nan 0.000 0.222 336 H C 0.571 175.863 175.328 -0.060 0.000 1.099 336 H CA 1.121 57.149 56.048 -0.032 0.000 1.182 336 H CB -1.039 28.724 29.762 0.001 0.000 1.188 336 H HN -0.303 8.206 8.280 0.070 -0.187 0.317 337 R N -1.529 118.820 120.500 -0.252 0.000 2.153 337 R HA -0.350 nan 4.340 nan 0.000 0.252 337 R C 0.449 176.613 176.300 -0.226 0.000 1.158 337 R CA 2.853 58.775 56.100 -0.297 0.000 0.975 337 R CB -1.082 28.949 30.300 -0.447 0.000 0.871 337 R HN -0.336 7.841 8.270 -0.217 -0.037 0.450 338 F N -4.022 115.810 119.950 -0.196 0.000 2.416 338 F HA 0.024 nan 4.527 nan 0.000 0.296 338 F C -0.326 175.335 175.800 -0.231 0.000 1.099 338 F CA -0.688 57.214 58.000 -0.163 0.000 1.427 338 F CB 0.072 39.017 39.000 -0.092 0.000 1.079 338 F HN -0.488 7.873 8.300 -0.280 -0.228 0.536 339 Q N -4.753 114.850 119.800 -0.327 0.000 2.489 339 Q HA -0.344 nan 4.340 nan 0.000 0.259 339 Q C -0.689 175.306 176.000 -0.008 0.000 0.934 339 Q CA 0.799 56.408 55.803 -0.323 0.000 1.131 339 Q CB -2.099 26.562 28.738 -0.129 0.000 1.472 339 Q HN -0.435 7.537 8.270 -0.659 -0.097 0.560 340 E N -0.540 119.714 120.200 0.089 0.000 2.376 340 E HA -0.103 nan 4.350 nan 0.000 0.266 340 E C -0.884 175.817 176.600 0.169 0.000 1.009 340 E CA 0.190 56.660 56.400 0.117 0.000 0.902 340 E CB 0.676 30.445 29.700 0.115 0.000 0.972 340 E HN -0.436 7.937 8.360 0.088 0.039 0.439 341 N N 5.489 124.218 118.700 0.048 0.000 2.434 341 N HA 0.133 nan 4.740 nan 0.000 0.268 341 N C -2.022 173.492 175.510 0.008 0.000 1.256 341 N CA -1.525 51.505 53.050 -0.034 0.000 0.914 341 N CB -0.555 37.802 38.487 -0.217 0.000 1.088 341 N HN 0.193 8.579 8.380 0.009 0.000 0.478 342 P HA -0.072 nan 4.420 nan 0.000 0.271 342 P C -0.419 176.993 177.300 0.187 0.000 1.238 342 P CA -0.014 63.144 63.100 0.097 0.000 0.794 342 P CB 0.657 32.393 31.700 0.060 0.000 0.959 343 G N -1.047 107.840 108.800 0.145 0.000 2.432 343 G HA2 -0.097 nan 3.960 nan 0.000 0.239 343 G HA3 -0.097 nan 3.960 nan 0.000 0.239 343 G C 1.062 176.055 174.900 0.155 0.000 1.291 343 G CA -0.682 44.502 45.100 0.140 0.000 0.863 343 G HN 0.072 8.424 8.290 0.103 0.000 0.560 344 V N -1.563 118.397 119.914 0.076 0.000 3.099 344 V HA -0.426 nan 4.120 nan 0.000 0.269 344 V C 1.388 177.490 176.094 0.013 0.000 1.150 344 V CA 2.088 64.351 62.300 -0.061 0.000 1.165 344 V CB -0.846 30.836 31.823 -0.235 0.000 0.756 344 V HN 0.660 8.887 8.190 0.062 0.000 0.527 345 M N 1.175 120.822 119.600 0.079 0.000 2.562 345 M HA -0.128 nan 4.480 nan 0.000 0.257 345 M C 1.308 177.853 176.300 0.408 0.000 1.099 345 M CA 1.248 56.656 55.300 0.179 0.000 1.099 345 M CB -1.019 31.587 32.600 0.010 0.000 1.427 345 M HN -0.145 8.084 8.290 0.068 0.102 0.489 346 S N -0.122 115.762 115.700 0.307 0.000 2.481 346 S HA -0.220 nan 4.470 nan 0.000 0.231 346 S C -0.815 173.865 174.600 0.134 0.000 0.996 346 S CA 3.098 61.483 58.200 0.308 0.000 0.942 346 S CB -0.049 63.222 63.200 0.118 0.000 0.768 346 S HN -0.323 8.054 8.310 0.212 0.060 0.520 347 D N -2.387 118.133 120.400 0.200 0.000 2.490 347 D HA 0.175 nan 4.640 nan 0.000 0.232 347 D C -0.293 176.189 176.300 0.304 0.000 1.053 347 D CA -0.959 53.145 54.000 0.173 0.000 0.914 347 D CB 2.598 43.510 40.800 0.187 0.000 1.431 347 D HN -0.980 7.472 8.370 0.237 0.061 0.483 348 T N 0.912 115.706 114.554 0.400 0.000 3.014 348 T HA 0.067 nan 4.350 nan 0.000 0.263 348 T C 1.687 176.699 174.700 0.519 0.000 1.078 348 T CA 2.273 64.716 62.100 0.571 0.000 1.135 348 T CB -0.450 68.743 68.868 0.542 0.000 0.895 348 T HN 0.504 8.990 8.240 0.409 0.000 0.480 349 S N 0.829 116.774 115.700 0.408 0.000 2.406 349 S HA -0.129 nan 4.470 nan 0.000 0.228 349 S C 1.419 175.860 174.600 -0.266 0.000 1.020 349 S CA 3.430 61.686 58.200 0.093 0.000 0.965 349 S CB 0.197 63.389 63.200 -0.014 0.000 0.798 349 S HN -0.289 8.754 8.310 0.520 -0.421 0.488 350 T N -1.321 113.095 114.554 -0.230 0.000 2.939 350 T HA 0.229 nan 4.350 nan 0.000 0.254 350 T C 2.342 176.816 174.700 -0.378 0.000 1.041 350 T CA 2.253 64.133 62.100 -0.367 0.000 1.142 350 T CB 0.382 69.010 68.868 -0.400 0.000 0.874 350 T HN -0.265 8.205 8.240 -0.080 -0.278 0.452 351 S N 4.135 119.658 115.700 -0.296 0.000 2.570 351 S HA -0.476 nan 4.470 nan 0.000 0.300 351 S C 1.460 175.441 174.600 -1.032 0.000 1.224 351 S CA 3.157 61.080 58.200 -0.462 0.000 1.103 351 S CB -1.310 61.787 63.200 -0.171 0.000 1.009 351 S HN -0.016 8.219 8.310 -0.125 0.000 0.458 352 L N -1.058 119.500 121.223 -1.107 0.000 2.567 352 L HA 0.076 nan 4.340 nan 0.000 0.225 352 L C 0.733 177.241 176.870 -0.604 0.000 1.119 352 L CA 0.967 55.057 54.840 -1.249 0.000 0.871 352 L CB -0.196 41.280 42.059 -0.972 0.000 1.036 352 L HN -0.660 7.037 8.230 -0.808 0.048 0.459 353 R N -2.097 118.128 120.500 -0.457 0.000 2.062 353 R HA -0.211 nan 4.340 nan 0.000 0.229 353 R C 0.141 176.091 176.300 -0.584 0.000 1.128 353 R CA 1.841 57.755 56.100 -0.309 0.000 0.960 353 R CB -0.232 30.014 30.300 -0.090 0.000 0.855 353 R HN -0.898 7.034 8.270 -0.484 0.047 0.432 354 D N 1.130 121.154 120.400 -0.627 0.000 2.382 354 D HA 0.205 nan 4.640 nan 0.000 0.259 354 D C -0.774 175.305 176.300 -0.368 0.000 1.224 354 D CA -2.559 51.009 54.000 -0.720 0.000 0.894 354 D CB 0.339 40.975 40.800 -0.274 0.000 1.127 354 D HN -0.558 7.543 8.370 -0.448 0.000 0.487 355 P HA -0.186 nan 4.420 nan 0.000 0.217 355 P C 0.777 178.146 177.300 0.115 0.000 1.148 355 P CA 2.195 65.306 63.100 0.017 0.000 0.828 355 P CB -0.009 31.703 31.700 0.020 0.000 0.783 356 I N -5.307 115.273 120.570 0.017 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.006 177.109 176.117 -0.023 0.000 1.184 356 I CA 2.324 63.633 61.300 0.014 0.000 1.451 356 I CB -0.744 37.225 38.000 -0.050 0.000 1.089 356 I HN -0.858 7.305 8.210 -0.041 0.022 0.441 357 F N 2.242 122.006 119.950 -0.310 0.000 2.085 357 F HA -0.593 nan 4.527 nan 0.000 0.299 357 F C 0.646 176.067 175.800 -0.631 0.000 1.096 357 F CA 4.571 62.222 58.000 -0.582 0.000 1.227 357 F CB 0.033 38.489 39.000 -0.907 0.000 0.983 357 F HN -0.380 7.774 8.300 -0.033 0.126 0.482 358 Y N -5.279 114.910 120.300 -0.184 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.892 177.806 175.900 0.023 0.000 1.123 358 Y CA 3.033 61.033 58.100 -0.166 0.000 1.227 358 Y CB -0.628 37.738 38.460 -0.157 0.000 1.012 358 Y HN -0.690 7.503 8.280 -0.121 0.015 0.552 359 R N 0.839 121.453 120.500 0.189 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.176 178.622 176.300 0.243 0.000 1.134 359 R CA 3.644 59.874 56.100 0.217 0.000 0.952 359 R CB -0.389 30.035 30.300 0.207 0.000 0.850 359 R HN -0.344 7.861 8.270 0.146 0.153 0.433 360 W N -1.571 119.757 121.300 0.046 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.772 177.444 176.519 0.254 0.000 1.231 360 W CA 3.637 61.064 57.345 0.135 0.000 1.248 360 W CB 0.217 29.649 29.460 -0.047 0.000 1.117 360 W HN -0.264 8.052 8.180 0.228 0.000 0.568 361 H N -1.757 117.303 119.070 -0.016 0.000 2.525 361 H HA 0.040 nan 4.556 nan 0.000 0.275 361 H C 2.890 178.237 175.328 0.031 0.000 0.984 361 H CA 2.849 58.871 56.048 -0.044 0.000 1.264 361 H CB 0.099 29.739 29.762 -0.203 0.000 1.432 361 H HN -0.582 7.683 8.280 0.294 0.191 0.549 362 R N -0.017 120.603 120.500 0.200 0.000 2.115 362 R HA -0.187 nan 4.340 nan 0.000 0.226 362 R C 1.688 178.061 176.300 0.122 0.000 1.100 362 R CA 1.859 58.059 56.100 0.168 0.000 0.980 362 R CB -0.882 29.527 30.300 0.181 0.000 0.875 362 R HN 0.267 8.670 8.270 0.222 0.000 0.445 363 F N 1.890 121.762 119.950 -0.129 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.580 177.198 175.800 -0.303 0.000 1.122 363 F CA 2.735 60.564 58.000 -0.286 0.000 1.201 363 F CB -0.190 38.466 39.000 -0.572 0.000 0.978 363 F HN -0.794 7.463 8.300 0.148 0.133 0.472 364 I N -4.732 115.533 120.570 -0.510 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.315 177.358 176.117 -0.124 0.000 1.097 364 I CA 3.696 64.728 61.300 -0.446 0.000 1.363 364 I CB -0.739 37.149 38.000 -0.187 0.000 1.051 364 I HN -0.071 7.865 8.210 -0.456 0.000 0.413 365 D N 0.201 120.664 120.400 0.104 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.439 176.300 0.126 0.000 0.990 365 D CA 3.711 57.886 54.000 0.292 0.000 0.839 365 D CB -0.146 40.806 40.800 0.253 0.000 0.948 365 D HN -0.429 7.971 8.370 0.050 0.000 0.460 366 N N -0.950 117.743 118.700 -0.012 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.015 175.510 -0.153 0.000 1.019 366 N CA 3.178 56.202 53.050 -0.044 0.000 0.856 366 N CB -0.120 38.373 38.487 0.009 0.000 0.993 366 N HN 0.059 8.184 8.380 -0.044 0.229 0.426 367 I N 0.348 120.721 120.570 -0.329 0.000 2.163 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.641 177.543 176.117 -0.358 0.000 1.081 367 I CA 4.219 65.269 61.300 -0.417 0.000 1.353 367 I CB -0.168 37.450 38.000 -0.635 0.000 1.054 367 I HN -0.569 7.284 8.210 -0.413 0.110 0.407 368 F N -1.255 118.524 119.950 -0.284 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.290 177.839 175.800 -0.417 0.000 1.089 368 F CA 4.068 61.813 58.000 -0.424 0.000 1.282 368 F CB -0.983 37.571 39.000 -0.743 0.000 1.010 368 F HN -0.359 7.737 8.300 -0.339 0.000 0.485 369 Q N -2.254 117.495 119.800 -0.084 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.805 176.000 -0.126 0.000 0.977 369 Q CA 3.193 58.952 55.803 -0.073 0.000 0.850 369 Q CB -0.829 27.911 28.738 0.003 0.000 0.901 369 Q HN 0.633 8.772 8.270 -0.016 0.122 0.429 370 E N -0.036 120.079 120.200 -0.142 0.000 2.110 370 E HA -0.390 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.785 176.600 -0.221 0.000 0.988 370 E CA 3.021 59.325 56.400 -0.161 0.000 0.804 370 E CB -0.292 29.312 29.700 -0.160 0.000 0.745 370 E HN -0.172 8.011 8.360 -0.143 0.092 0.458 371 H N 0.541 119.381 119.070 -0.382 0.000 2.357 371 H HA -0.169 nan 4.556 nan 0.000 0.301 371 H C 2.430 177.182 175.328 -0.961 0.000 1.082 371 H CA 2.735 58.442 56.048 -0.569 0.000 1.342 371 H CB 0.057 29.559 29.762 -0.432 0.000 1.389 371 H HN -0.537 7.538 8.280 -0.162 0.108 0.511 372 K N -1.991 117.997 120.400 -0.688 0.000 2.097 372 K HA -0.315 nan 4.320 nan 0.000 0.206 372 K C 2.530 178.905 176.600 -0.375 0.000 1.049 372 K CA 2.075 58.058 56.287 -0.507 0.000 0.933 372 K CB -0.532 31.880 32.500 -0.148 0.000 0.717 372 K HN -0.074 7.934 8.250 -0.404 0.000 0.442 373 K N -1.708 118.519 120.400 -0.288 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.327 178.796 176.600 -0.218 0.000 1.049 373 K CA 2.434 58.605 56.287 -0.194 0.000 0.933 373 K CB 0.200 32.617 32.500 -0.138 0.000 0.717 373 K HN -0.103 7.795 8.250 -0.272 0.188 0.442 374 S N -2.150 113.382 115.700 -0.280 0.000 2.453 374 S HA -0.142 nan 4.470 nan 0.000 0.231 374 S C 0.607 175.095 174.600 -0.185 0.000 1.005 374 S CA 1.993 60.090 58.200 -0.173 0.000 0.949 374 S CB 0.419 63.632 63.200 0.021 0.000 0.774 374 S HN -0.371 7.733 8.310 -0.344 0.000 0.510 375 F N 2.781 122.604 119.950 -0.212 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.029 175.570 175.800 -0.337 0.000 1.155 375 F CA -0.132 57.719 58.000 -0.249 0.000 1.302 375 F CB -0.073 38.809 39.000 -0.197 0.000 1.159 375 F HN -0.816 7.077 8.300 -0.677 0.000 0.595 376 H N 1.142 120.254 119.070 0.071 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.796 175.328 -0.165 0.000 1.128 376 H CA -0.994 55.033 56.048 -0.035 0.000 1.342 376 H CB -0.067 29.678 29.762 -0.029 0.000 1.470 376 H HN 0.239 8.630 8.280 0.185 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.226 175.971 177.300 -0.171 0.000 1.228 377 P CA 0.675 63.710 63.100 -0.109 0.000 0.797 377 P CB 0.425 32.147 31.700 0.038 0.000 0.914 378 Y N -0.600 119.782 120.300 0.137 0.000 2.327 378 Y HA -0.017 nan 4.550 nan 0.000 0.336 378 Y C 0.299 176.228 175.900 0.048 0.000 1.035 378 Y CA 0.359 58.513 58.100 0.089 0.000 1.165 378 Y CB 0.347 38.835 38.460 0.046 0.000 1.181 378 Y HN 0.239 8.615 8.280 0.160 0.000 0.494 379 T N 4.904 119.589 114.554 0.218 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.086 175.822 174.700 0.060 0.000 1.071 379 T CA -0.034 62.132 62.100 0.109 0.000 1.128 379 T CB 0.541 69.458 68.868 0.083 0.000 0.984 379 T HN 0.320 8.709 8.240 0.247 0.000 0.549 380 K N 3.621 124.028 120.400 0.012 0.000 2.103 380 K HA -0.459 nan 4.320 nan 0.000 0.207 380 K C 2.107 178.692 176.600 -0.024 0.000 1.048 380 K CA 3.527 59.791 56.287 -0.038 0.000 0.930 380 K CB -0.032 32.451 32.500 -0.027 0.000 0.716 380 K HN 0.369 8.634 8.250 0.024 0.000 0.444 381 E N -0.618 119.585 120.200 0.005 0.000 2.035 381 E HA -0.301 nan 4.350 nan 0.000 0.204 381 E C 2.383 178.994 176.600 0.018 0.000 1.025 381 E CA 3.241 59.649 56.400 0.013 0.000 0.835 381 E CB -0.382 29.331 29.700 0.021 0.000 0.764 381 E HN -0.086 8.279 8.360 0.013 0.003 0.457 382 E N -1.400 118.824 120.200 0.039 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.107 177.710 176.600 0.006 0.000 0.994 382 E CA 2.255 58.685 56.400 0.051 0.000 0.801 382 E CB -0.747 29.042 29.700 0.149 0.000 0.743 382 E HN 0.134 8.527 8.360 0.055 0.000 0.453 383 L N -4.518 116.668 121.223 -0.062 0.000 2.465 383 L HA -0.088 nan 4.340 nan 0.000 0.224 383 L C 0.055 176.868 176.870 -0.094 0.000 1.145 383 L CA 0.971 55.706 54.840 -0.176 0.000 0.834 383 L CB 0.245 42.101 42.059 -0.339 0.000 0.944 383 L HN -0.409 7.702 8.230 -0.039 0.095 0.451 384 S N -1.170 114.518 115.700 -0.020 0.000 2.420 384 S HA 0.104 nan 4.470 nan 0.000 0.313 384 S C -1.264 173.417 174.600 0.135 0.000 1.079 384 S CA -0.689 57.534 58.200 0.038 0.000 1.104 384 S CB 0.411 63.619 63.200 0.013 0.000 0.969 384 S HN -0.478 7.641 8.310 -0.015 0.183 0.471 385 F N 8.413 128.345 119.950 -0.029 0.000 2.487 385 F HA 0.183 nan 4.527 nan 0.000 0.364 385 F C -2.046 173.749 175.800 -0.009 0.000 1.126 385 F CA -3.344 54.649 58.000 -0.011 0.000 1.135 385 F CB 0.242 39.240 39.000 -0.003 0.000 1.127 385 F HN 0.185 8.920 8.300 0.240 -0.291 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.430 176.740 177.300 -0.216 0.000 1.205 386 P CA 0.461 63.514 63.100 -0.078 0.000 0.765 386 P CB 0.120 31.797 31.700 -0.038 0.000 0.828 387 G N 2.191 110.896 108.800 -0.157 0.000 2.336 387 G HA2 -0.369 nan 3.960 nan 0.000 0.233 387 G HA3 -0.369 nan 3.960 nan 0.000 0.233 387 G C -1.041 173.747 174.900 -0.187 0.000 1.053 387 G CA 0.383 45.386 45.100 -0.162 0.000 0.625 387 G HN 0.366 8.596 8.290 -0.101 0.000 0.511 388 V N 2.891 122.628 119.914 -0.295 0.000 2.455 388 V HA 0.006 nan 4.120 nan 0.000 0.273 388 V C -1.057 174.993 176.094 -0.073 0.000 1.045 388 V CA -0.145 62.023 62.300 -0.220 0.000 0.976 388 V CB -0.213 31.372 31.823 -0.397 0.000 0.993 388 V HN -0.713 7.147 8.190 -0.419 0.079 0.475 389 E N 8.043 128.226 120.200 -0.028 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.254 176.368 176.600 0.036 0.000 0.900 389 E CA -1.699 54.706 56.400 0.009 0.000 0.755 389 E CB 2.805 32.506 29.700 0.002 0.000 1.117 389 E HN 0.233 8.443 8.360 -0.035 0.129 0.410 390 V N 9.061 129.011 119.914 0.061 0.000 2.415 390 V HA -0.165 nan 4.120 nan 0.000 0.252 390 V C 0.064 176.194 176.094 0.060 0.000 1.043 390 V CA 1.705 64.050 62.300 0.074 0.000 1.149 390 V CB -1.856 30.026 31.823 0.100 0.000 1.143 390 V HN 0.749 8.979 8.190 0.067 0.000 0.478 391 V N 7.445 127.390 119.914 0.051 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.311 176.433 176.094 0.048 0.000 1.157 391 V CA 0.605 62.930 62.300 0.042 0.000 1.157 391 V CB -0.393 31.450 31.823 0.034 0.000 0.772 391 V HN 0.544 8.670 8.190 0.052 0.096 0.498 392 G N -3.388 105.450 108.800 0.062 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.098 171.857 174.900 0.091 0.000 1.367 392 G CA 0.170 45.312 45.100 0.069 0.000 0.951 392 G HN -0.702 7.602 8.290 0.069 0.027 0.615 393 V N -1.983 117.995 119.914 0.106 0.000 3.160 393 V HA 0.779 nan 4.120 nan 0.000 0.310 393 V C -1.420 174.746 176.094 0.121 0.000 1.181 393 V CA -2.241 60.144 62.300 0.142 0.000 1.047 393 V CB 3.538 35.487 31.823 0.211 0.000 1.068 393 V HN 0.200 8.446 8.190 0.094 0.000 0.441 394 S N -1.030 114.745 115.700 0.126 0.000 2.552 394 S HA 0.516 nan 4.470 nan 0.000 0.272 394 S C -2.197 172.454 174.600 0.085 0.000 1.150 394 S CA -0.425 57.832 58.200 0.094 0.000 0.849 394 S CB 4.090 67.327 63.200 0.062 0.000 1.113 394 S HN -0.147 8.249 8.310 0.144 0.000 0.458 395 I N -1.999 118.615 120.570 0.073 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.049 174.102 176.117 0.057 0.000 0.992 395 I CA -2.051 59.289 61.300 0.066 0.000 1.149 395 I CB 1.672 39.766 38.000 0.156 0.000 1.315 395 I HN 0.669 9.265 8.210 0.070 -0.344 0.446 396 N N 7.064 125.792 118.700 0.047 0.000 2.558 396 N HA 0.363 nan 4.740 nan 0.000 0.242 396 N C -0.741 174.809 175.510 0.066 0.000 0.979 396 N CA -0.268 52.806 53.050 0.040 0.000 0.931 396 N CB 0.882 39.381 38.487 0.020 0.000 1.122 396 N HN -0.142 8.250 8.380 0.020 0.000 0.508 397 S N 6.855 122.590 115.700 0.058 0.000 3.320 397 S HA 0.081 nan 4.470 nan 0.000 0.185 397 S C 0.158 174.775 174.600 0.028 0.000 1.028 397 S CA 1.033 59.268 58.200 0.059 0.000 1.641 397 S CB 0.753 63.959 63.200 0.011 0.000 0.630 397 S HN 0.435 8.766 8.310 0.035 0.000 0.555 398 K N 1.036 121.438 120.400 0.005 0.000 2.148 398 K HA -0.125 nan 4.320 nan 0.000 0.204 398 K C -0.598 175.999 176.600 -0.005 0.000 1.050 398 K CA 1.798 58.081 56.287 -0.006 0.000 0.942 398 K CB 0.489 32.976 32.500 -0.022 0.000 0.724 398 K HN -0.241 8.422 8.250 -0.003 -0.415 0.446 399 T N -0.827 113.724 114.554 -0.005 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.257 172.445 174.700 0.004 0.000 1.070 399 T CA -1.898 60.200 62.100 -0.002 0.000 1.010 399 T CB 3.292 72.155 68.868 -0.008 0.000 1.264 399 T HN -0.716 7.494 8.240 -0.006 0.026 0.532 400 A N -0.276 122.548 122.820 0.007 0.000 2.407 400 A HA 0.107 nan 4.320 nan 0.000 0.248 400 A C 0.138 177.728 177.584 0.010 0.000 1.082 400 A CA 0.469 52.514 52.037 0.013 0.000 0.785 400 A CB 0.017 19.027 19.000 0.016 0.000 1.020 400 A HN 0.112 8.265 8.150 0.005 0.000 0.489 401 N N -1.971 116.739 118.700 0.016 0.000 2.678 401 N HA -0.352 nan 4.740 nan 0.000 0.249 401 N C -1.262 174.246 175.510 -0.005 0.000 1.119 401 N CA 1.411 54.470 53.050 0.014 0.000 0.718 401 N CB -1.584 36.918 38.487 0.026 0.000 1.060 401 N HN 0.078 8.474 8.380 0.026 0.000 0.552 402 V N -9.445 110.454 119.914 -0.026 0.000 2.769 402 V HA 0.805 nan 4.120 nan 0.000 0.312 402 V C -1.806 174.224 176.094 -0.107 0.000 1.061 402 V CA -2.820 59.450 62.300 -0.050 0.000 0.931 402 V CB 3.670 35.471 31.823 -0.036 0.000 1.010 402 V HN -0.843 7.267 8.190 -0.021 0.068 0.433 403 I N 2.944 123.412 120.570 -0.171 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.118 173.918 176.117 -0.134 0.000 1.025 403 I CA -2.104 59.060 61.300 -0.227 0.000 1.086 403 I CB 3.489 41.199 38.000 -0.484 0.000 1.268 403 I HN 0.618 8.627 8.210 -0.161 0.105 0.440 404 T N 7.453 121.954 114.554 -0.087 0.000 2.809 404 T HA 0.450 nan 4.350 nan 0.000 0.284 404 T C -1.247 173.448 174.700 -0.009 0.000 0.992 404 T CA -0.621 61.453 62.100 -0.043 0.000 0.957 404 T CB 1.577 70.417 68.868 -0.047 0.000 0.942 404 T HN 0.165 8.355 8.240 -0.085 0.000 0.439 405 T N 7.720 122.295 114.554 0.034 0.000 2.918 405 T HA 0.665 nan 4.350 nan 0.000 0.283 405 T C -1.765 172.969 174.700 0.057 0.000 1.001 405 T CA -1.937 60.228 62.100 0.109 0.000 1.041 405 T CB 1.101 70.087 68.868 0.195 0.000 1.028 405 T HN 0.629 8.891 8.240 0.038 0.000 0.511 406 L N 1.257 122.540 121.223 0.100 0.000 2.301 406 L HA 0.647 nan 4.340 nan 0.000 0.249 406 L C -1.474 175.496 176.870 0.168 0.000 1.069 406 L CA -1.291 53.556 54.840 0.011 0.000 0.865 406 L CB 3.798 45.861 42.059 0.006 0.000 1.467 406 L HN -0.287 7.946 8.230 0.185 0.108 0.419 407 I N -0.487 120.142 120.570 0.098 0.000 2.392 407 I HA 0.419 nan 4.170 nan 0.000 0.295 407 I C -1.805 174.305 176.117 -0.011 0.000 0.985 407 I CA -2.118 59.269 61.300 0.145 0.000 1.221 407 I CB 1.375 39.496 38.000 0.202 0.000 1.366 407 I HN 0.216 8.422 8.210 -0.005 0.000 0.467 408 K N 8.809 129.089 120.400 -0.200 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.322 174.958 176.600 -0.532 0.000 0.948 408 K CA -1.664 54.394 56.287 -0.382 0.000 0.827 408 K CB 2.587 34.794 32.500 -0.488 0.000 1.128 408 K HN 0.838 8.834 8.250 -0.244 0.108 0.429 409 E N 5.586 125.592 120.200 -0.324 0.000 2.398 409 E HA 0.111 nan 4.350 nan 0.000 0.263 409 E C -1.035 175.242 176.600 -0.538 0.000 1.046 409 E CA 0.379 56.495 56.400 -0.472 0.000 0.908 409 E CB 0.488 29.971 29.700 -0.363 0.000 0.963 409 E HN 0.403 8.650 8.360 -0.188 0.000 0.431 410 S N 1.792 117.046 115.700 -0.744 0.000 2.727 410 S HA 0.350 nan 4.470 nan 0.000 0.278 410 S C -2.063 172.090 174.600 -0.746 0.000 1.186 410 S CA -0.977 56.788 58.200 -0.726 0.000 0.836 410 S CB 2.047 64.768 63.200 -0.799 0.000 1.186 410 S HN 0.425 8.225 8.310 -0.850 0.000 0.499 411 L N -1.023 119.967 121.223 -0.388 0.000 2.309 411 L HA 0.545 nan 4.340 nan 0.000 0.261 411 L C -2.219 174.759 176.870 0.180 0.000 1.021 411 L CA -1.258 53.528 54.840 -0.090 0.000 0.823 411 L CB 3.252 45.277 42.059 -0.057 0.000 1.366 411 L HN 0.479 8.539 8.230 -0.283 0.000 0.423 412 L N -0.655 120.678 121.223 0.183 0.000 2.543 412 L HA 0.260 nan 4.340 nan 0.000 0.265 412 L C -2.229 174.694 176.870 0.088 0.000 0.945 412 L CA 0.148 55.076 54.840 0.148 0.000 0.869 412 L CB 3.556 45.708 42.059 0.155 0.000 1.294 412 L HN -0.175 8.133 8.230 0.131 0.000 0.405 413 E N 6.533 126.770 120.200 0.062 0.000 1.941 413 E HA 0.211 nan 4.350 nan 0.000 0.275 413 E C 0.746 177.420 176.600 0.123 0.000 1.113 413 E CA -0.878 55.580 56.400 0.096 0.000 0.878 413 E CB -0.021 29.756 29.700 0.128 0.000 1.070 413 E HN 0.258 8.637 8.360 0.032 0.000 0.399 414 L N 6.164 127.447 121.223 0.099 0.000 2.083 414 L HA -0.383 nan 4.340 nan 0.000 0.209 414 L C 1.455 178.392 176.870 0.113 0.000 1.083 414 L CA 3.020 57.920 54.840 0.099 0.000 0.752 414 L CB -0.351 41.766 42.059 0.097 0.000 0.899 414 L HN 0.932 9.214 8.230 0.087 0.000 0.433 415 S N -0.694 115.079 115.700 0.122 0.000 2.434 415 S HA -0.505 nan 4.470 nan 0.000 0.250 415 S C 2.150 176.783 174.600 0.055 0.000 1.102 415 S CA 3.060 61.359 58.200 0.165 0.000 1.104 415 S CB -0.480 62.678 63.200 -0.070 0.000 0.957 415 S HN -0.211 8.159 8.310 0.101 0.000 0.456 416 H N -0.191 118.838 119.070 -0.068 0.000 2.326 416 H HA -0.169 nan 4.556 nan 0.000 0.301 416 H C 1.902 177.096 175.328 -0.224 0.000 1.081 416 H CA 2.979 58.856 56.048 -0.284 0.000 1.334 416 H CB 0.135 29.616 29.762 -0.469 0.000 1.385 416 H HN -0.835 7.492 8.280 0.139 0.036 0.504 417 G N -2.976 105.815 108.800 -0.015 0.000 2.404 417 G HA2 -0.131 nan 3.960 nan 0.000 0.214 417 G HA3 -0.131 nan 3.960 nan 0.000 0.214 417 G C -0.197 174.691 174.900 -0.020 0.000 1.189 417 G CA 0.933 45.997 45.100 -0.060 0.000 0.789 417 G HN -0.271 8.047 8.290 0.047 0.000 0.533 418 I N -3.707 116.891 120.570 0.046 0.000 3.076 418 I HA 0.443 nan 4.170 nan 0.000 0.313 418 I C -1.930 174.226 176.117 0.063 0.000 1.053 418 I CA -3.314 58.018 61.300 0.054 0.000 1.048 418 I CB 2.151 40.190 38.000 0.064 0.000 1.264 418 I HN -0.305 7.838 8.210 0.070 0.109 0.498 419 N N 1.593 120.283 118.700 -0.016 0.000 2.415 419 N HA -0.058 nan 4.740 nan 0.000 0.250 419 N C -0.032 175.400 175.510 -0.129 0.000 1.127 419 N CA -0.531 52.413 53.050 -0.176 0.000 0.945 419 N CB -0.664 37.677 38.487 -0.243 0.000 1.196 419 N HN -0.012 8.359 8.380 -0.015 0.000 0.499 420 F N 1.576 121.531 119.950 0.008 0.000 2.161 420 F HA -0.139 nan 4.527 nan 0.000 0.300 420 F C 1.388 177.179 175.800 -0.016 0.000 1.089 420 F CA 0.784 58.782 58.000 -0.003 0.000 1.282 420 F CB -0.198 38.797 39.000 -0.007 0.000 1.010 420 F HN -0.341 7.837 8.300 -0.204 0.000 0.485 421 G N -0.537 108.050 108.800 -0.355 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.425 175.359 174.900 0.056 0.000 1.351 421 G CA 1.543 46.525 45.100 -0.198 0.000 0.905 421 G HN -0.248 7.520 8.290 -1.054 -0.110 0.561 422 T N 0.654 115.339 114.554 0.218 0.000 3.348 422 T HA 0.129 nan 4.350 nan 0.000 0.233 422 T C 0.249 175.109 174.700 0.265 0.000 0.960 422 T CA 0.194 62.424 62.100 0.217 0.000 1.343 422 T CB 0.917 69.854 68.868 0.115 0.000 1.068 422 T HN 0.189 8.487 8.240 0.184 0.052 0.410 423 D N 2.271 122.784 120.400 0.188 0.000 2.352 423 D HA -0.151 nan 4.640 nan 0.000 0.238 423 D C 0.410 176.595 176.300 -0.192 0.000 1.286 423 D CA 0.235 54.249 54.000 0.024 0.000 0.923 423 D CB 0.534 41.351 40.800 0.028 0.000 1.146 423 D HN -0.362 8.142 8.370 0.223 0.000 0.471 424 Q N -1.397 118.283 119.800 -0.200 0.000 2.016 424 Q HA -0.135 nan 4.340 nan 0.000 0.200 424 Q C 0.756 176.512 176.000 -0.408 0.000 0.978 424 Q CA 2.581 58.195 55.803 -0.314 0.000 0.833 424 Q CB 0.833 29.467 28.738 -0.173 0.000 0.895 424 Q HN -0.038 8.164 8.270 -0.113 0.000 0.427 425 S N -4.895 110.674 115.700 -0.219 0.000 2.543 425 S HA 0.280 nan 4.470 nan 0.000 0.273 425 S C -2.606 171.966 174.600 -0.047 0.000 1.152 425 S CA -0.189 57.927 58.200 -0.140 0.000 0.910 425 S CB 2.338 65.484 63.200 -0.090 0.000 1.105 425 S HN -0.711 7.621 8.310 -0.149 -0.111 0.465 426 V N 1.628 121.544 119.914 0.004 0.000 2.409 426 V HA 0.771 nan 4.120 nan 0.000 0.291 426 V C -1.597 174.525 176.094 0.046 0.000 1.020 426 V CA -2.702 59.622 62.300 0.040 0.000 0.848 426 V CB 1.400 33.269 31.823 0.078 0.000 0.990 426 V HN 0.753 8.947 8.190 0.007 0.000 0.430 427 K N 4.880 125.302 120.400 0.038 0.000 2.270 427 K HA 0.733 nan 4.320 nan 0.000 0.255 427 K C -2.075 174.557 176.600 0.054 0.000 0.936 427 K CA -2.528 53.784 56.287 0.041 0.000 0.809 427 K CB 2.969 35.477 32.500 0.013 0.000 1.131 427 K HN 0.682 8.848 8.250 0.032 0.103 0.427 428 V N 4.136 124.101 119.914 0.085 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.503 174.658 176.094 0.111 0.000 1.030 428 V CA -2.426 59.941 62.300 0.111 0.000 0.844 428 V CB 0.689 32.601 31.823 0.148 0.000 1.015 428 V HN 0.070 8.318 8.190 0.098 0.000 0.460 429 K N 11.302 131.710 120.400 0.014 0.000 2.336 429 K HA 0.063 nan 4.320 nan 0.000 0.290 429 K C -1.012 175.518 176.600 -0.117 0.000 1.067 429 K CA 0.054 56.264 56.287 -0.128 0.000 0.962 429 K CB 0.038 32.459 32.500 -0.133 0.000 1.008 429 K HN 0.723 8.985 8.250 0.021 0.000 0.467 430 Y N 3.383 123.594 120.300 -0.148 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.122 173.590 175.900 -0.313 0.000 1.168 430 Y CA -3.050 54.979 58.100 -0.117 0.000 1.269 430 Y CB 2.444 40.923 38.460 0.030 0.000 1.388 430 Y HN 0.249 8.034 8.280 -0.649 0.106 0.528 431 H N -0.687 118.497 119.070 0.190 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.254 174.208 175.328 0.223 0.000 1.040 431 H CA -1.267 54.820 56.048 0.065 0.000 1.216 431 H CB 2.879 32.682 29.762 0.069 0.000 1.529 431 H HN -0.117 8.421 8.280 0.431 0.000 0.519 432 H N 1.490 120.693 119.070 0.220 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.084 173.367 175.328 0.205 0.000 1.168 432 H CA -2.439 53.745 56.048 0.226 0.000 1.163 432 H CB 2.369 32.197 29.762 0.109 0.000 1.778 432 H HN 0.795 8.850 8.280 -0.179 0.117 0.551 433 L N 0.135 121.675 121.223 0.527 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.059 176.124 176.870 0.522 0.000 1.188 433 L CA 0.837 55.931 54.840 0.422 0.000 0.821 433 L CB 1.283 43.521 42.059 0.298 0.000 1.102 433 L HN 0.372 8.950 8.230 0.579 0.000 0.470 434 D N 0.984 121.605 120.400 0.368 0.000 3.158 434 D HA 0.299 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.267 176.300 0.200 0.000 1.308 434 D CA -1.995 52.170 54.000 0.275 0.000 1.001 434 D CB 2.828 43.733 40.800 0.174 0.000 1.389 434 D HN 0.368 8.932 8.370 0.323 0.000 0.595 435 H N -4.800 114.319 119.070 0.082 0.000 3.064 435 H HA 0.330 nan 4.556 nan 0.000 0.352 435 H C -1.686 173.606 175.328 -0.061 0.000 1.260 435 H CA -1.655 54.383 56.048 -0.016 0.000 1.160 435 H CB 2.773 32.496 29.762 -0.064 0.000 1.879 435 H HN -0.113 7.991 8.280 -0.292 0.000 0.544 436 E N 1.580 121.808 120.200 0.046 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.298 175.377 176.600 0.126 0.000 1.046 436 E CA -1.641 54.775 56.400 0.026 0.000 0.908 436 E CB 0.764 30.467 29.700 0.004 0.000 0.963 436 E HN 0.229 8.490 8.360 0.037 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.200 175.335 177.300 0.391 0.000 1.233 437 P CA 0.387 63.653 63.100 0.277 0.000 0.789 437 P CB 0.591 32.467 31.700 0.292 0.000 0.951 438 F N -5.837 114.148 119.950 0.059 0.000 2.807 438 F HA 0.368 nan 4.527 nan 0.000 0.316 438 F C -2.404 173.335 175.800 -0.102 0.000 1.162 438 F CA -2.310 55.658 58.000 -0.052 0.000 0.910 438 F CB 1.783 40.708 39.000 -0.124 0.000 1.314 438 F HN -0.284 8.225 8.300 0.349 0.000 0.454 439 T N -0.585 113.807 114.554 -0.269 0.000 2.916 439 T HA 0.617 nan 4.350 nan 0.000 0.292 439 T C -1.625 172.750 174.700 -0.542 0.000 1.055 439 T CA -1.595 60.250 62.100 -0.426 0.000 1.009 439 T CB 2.860 71.626 68.868 -0.169 0.000 1.118 439 T HN -0.149 8.065 8.240 -0.043 0.000 0.497 440 Y N 1.810 122.021 120.300 -0.149 0.000 2.313 440 Y HA 0.217 nan 4.550 nan 0.000 0.332 440 Y C -1.319 174.567 175.900 -0.022 0.000 1.071 440 Y CA -0.843 57.240 58.100 -0.028 0.000 1.169 440 Y CB 1.244 39.701 38.460 -0.004 0.000 1.192 440 Y HN 0.498 8.541 8.280 -0.220 0.105 0.487 441 N N 3.513 122.279 118.700 0.111 0.000 2.446 441 N HA 0.429 nan 4.740 nan 0.000 0.265 441 N C -2.210 173.366 175.510 0.110 0.000 0.975 441 N CA -0.805 52.291 53.050 0.076 0.000 0.928 441 N CB 2.517 41.030 38.487 0.044 0.000 1.160 441 N HN -0.090 8.356 8.380 0.110 0.000 0.495 442 I N 6.061 126.689 120.570 0.097 0.000 2.418 442 I HA 0.613 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.603 176.117 0.069 0.000 1.008 442 I CA -1.945 59.415 61.300 0.101 0.000 1.104 442 I CB 2.997 41.069 38.000 0.120 0.000 1.264 442 I HN 0.469 8.719 8.210 0.067 0.000 0.438 443 V N 9.011 128.966 119.914 0.068 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.556 174.573 176.094 0.058 0.000 1.041 443 V CA -1.617 60.716 62.300 0.056 0.000 0.926 443 V CB 1.332 33.184 31.823 0.047 0.000 0.992 443 V HN 0.808 8.933 8.190 0.075 0.110 0.457 444 V N 5.326 125.273 119.914 0.054 0.000 2.841 444 V HA 0.408 nan 4.120 nan 0.000 0.310 444 V C -2.043 174.068 176.094 0.030 0.000 1.090 444 V CA -1.223 61.106 62.300 0.049 0.000 0.930 444 V CB 4.326 36.189 31.823 0.068 0.000 1.014 444 V HN 0.885 9.018 8.190 0.051 0.088 0.425 445 E N 6.365 126.574 120.200 0.014 0.000 2.070 445 E HA 0.273 nan 4.350 nan 0.000 0.261 445 E C -1.361 175.224 176.600 -0.024 0.000 0.926 445 E CA -2.359 54.040 56.400 -0.002 0.000 0.760 445 E CB 1.255 30.953 29.700 -0.003 0.000 1.133 445 E HN 0.731 8.982 8.360 0.015 0.118 0.420 446 N N 8.215 126.897 118.700 -0.029 0.000 2.739 446 N HA 0.019 nan 4.740 nan 0.000 0.266 446 N C 0.727 176.202 175.510 -0.060 0.000 1.168 446 N CA -1.308 51.705 53.050 -0.062 0.000 1.055 446 N CB -0.353 38.101 38.487 -0.055 0.000 1.393 446 N HN 0.348 8.631 8.380 -0.012 0.090 0.514 447 N N 4.244 122.905 118.700 -0.065 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.081 175.396 175.510 -0.055 0.000 1.013 447 N CA 2.358 55.377 53.050 -0.053 0.000 0.863 447 N CB -0.007 38.448 38.487 -0.053 0.000 0.990 447 N HN -0.240 8.064 8.380 -0.074 0.032 0.430 448 S N -0.617 115.038 115.700 -0.074 0.000 2.533 448 S HA 0.004 nan 4.470 nan 0.000 0.282 448 S C 1.060 175.627 174.600 -0.054 0.000 1.304 448 S CA 0.306 58.466 58.200 -0.067 0.000 1.063 448 S CB 0.359 63.505 63.200 -0.089 0.000 0.881 448 S HN -0.692 7.531 8.310 -0.096 0.030 0.493 449 G N 1.571 110.346 108.800 -0.041 0.000 2.479 449 G HA2 -0.241 nan 3.960 nan 0.000 0.220 449 G HA3 -0.241 nan 3.960 nan 0.000 0.220 449 G C -0.942 173.936 174.900 -0.036 0.000 1.115 449 G CA 0.846 45.926 45.100 -0.033 0.000 0.757 449 G HN 0.431 8.699 8.290 -0.037 0.000 0.560 450 A N -0.985 121.809 122.820 -0.043 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.677 176.864 177.584 -0.071 0.000 1.147 450 A CA -1.569 50.439 52.037 -0.048 0.000 0.818 450 A CB 1.058 20.036 19.000 -0.037 0.000 1.096 450 A HN -0.667 7.419 8.150 -0.045 0.037 0.495 451 E N 1.136 121.284 120.200 -0.085 0.000 2.652 451 E HA -0.309 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.462 176.600 -0.184 0.000 0.952 451 E CA 0.989 57.309 56.400 -0.134 0.000 0.947 451 E CB 0.087 29.685 29.700 -0.170 0.000 0.912 451 E HN 0.360 8.678 8.360 -0.069 0.000 0.489 452 K N 4.841 125.154 120.400 -0.144 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.226 175.381 176.600 0.011 0.000 0.987 452 K CA -1.573 54.676 56.287 -0.064 0.000 0.865 452 K CB 1.771 34.239 32.500 -0.054 0.000 1.090 452 K HN 0.574 8.678 8.250 -0.106 0.082 0.450 453 H N 4.180 123.438 119.070 0.312 0.000 2.552 453 H HA 0.509 nan 4.556 nan 0.000 0.311 453 H C -0.293 175.316 175.328 0.469 0.000 1.071 453 H CA -1.006 55.296 56.048 0.424 0.000 1.307 453 H CB 1.116 31.166 29.762 0.480 0.000 1.416 453 H HN 0.468 8.908 8.280 0.267 0.000 0.464 454 S N 4.029 120.036 115.700 0.512 0.000 2.648 454 S HA 0.708 nan 4.470 nan 0.000 0.305 454 S C -0.711 173.994 174.600 0.175 0.000 1.094 454 S CA -1.711 56.627 58.200 0.230 0.000 0.983 454 S CB 2.033 65.356 63.200 0.206 0.000 1.101 454 S HN 0.691 9.286 8.310 0.476 0.000 0.514 455 T N 2.030 116.564 114.554 -0.034 0.000 2.791 455 T HA 0.372 nan 4.350 nan 0.000 0.288 455 T C -1.290 173.283 174.700 -0.211 0.000 0.999 455 T CA -0.474 61.601 62.100 -0.041 0.000 0.952 455 T CB 0.740 69.649 68.868 0.068 0.000 0.938 455 T HN 0.653 8.641 8.240 -0.229 0.115 0.444 456 V N 7.420 127.094 119.914 -0.399 0.000 2.318 456 V HA 0.374 nan 4.120 nan 0.000 0.271 456 V C -0.884 175.001 176.094 -0.348 0.000 1.030 456 V CA -1.095 60.909 62.300 -0.493 0.000 0.844 456 V CB -0.350 30.851 31.823 -1.037 0.000 1.015 456 V HN 1.051 8.834 8.190 -0.500 0.107 0.460 457 R N 7.535 127.960 120.500 -0.126 0.000 2.207 457 R HA 0.597 nan 4.340 nan 0.000 0.334 457 R C -1.061 175.259 176.300 0.033 0.000 1.013 457 R CA -1.059 55.027 56.100 -0.024 0.000 0.858 457 R CB 0.567 30.965 30.300 0.164 0.000 1.094 457 R HN 0.421 8.639 8.270 -0.088 0.000 0.457 458 I N 4.098 124.612 120.570 -0.094 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.492 174.629 176.117 0.007 0.000 0.998 458 I CA -1.023 60.297 61.300 0.033 0.000 1.137 458 I CB 2.678 40.571 38.000 -0.179 0.000 1.310 458 I HN 0.762 8.754 8.210 -0.188 0.105 0.445 459 F N 4.486 124.598 119.950 0.271 0.000 2.593 459 F HA 0.788 nan 4.527 nan 0.000 0.320 459 F C -1.550 174.483 175.800 0.388 0.000 1.060 459 F CA -1.577 56.635 58.000 0.354 0.000 0.940 459 F CB 4.269 43.529 39.000 0.433 0.000 1.268 459 F HN 0.434 8.998 8.300 0.611 0.102 0.475 460 L N 1.267 122.815 121.223 0.542 0.000 2.406 460 L HA 0.669 nan 4.340 nan 0.000 0.272 460 L C -2.361 174.692 176.870 0.305 0.000 0.980 460 L CA -1.337 53.728 54.840 0.374 0.000 0.831 460 L CB 3.537 45.735 42.059 0.232 0.000 1.253 460 L HN 0.894 9.333 8.230 0.537 0.113 0.406 461 A N 5.984 128.892 122.820 0.147 0.000 2.483 461 A HA 0.839 nan 4.320 nan 0.000 0.286 461 A C -3.474 174.112 177.584 0.003 0.000 1.207 461 A CA -2.709 49.248 52.037 -0.134 0.000 0.764 461 A CB 1.980 20.477 19.000 -0.838 0.000 1.341 461 A HN 1.014 9.167 8.150 0.191 0.112 0.428 462 P HA 0.310 nan 4.420 nan 0.000 0.292 462 P C -1.449 175.630 177.300 -0.369 0.000 1.283 462 P CA -0.780 62.046 63.100 -0.457 0.000 0.835 462 P CB 1.278 32.653 31.700 -0.540 0.000 1.017 463 K N 1.174 121.345 120.400 -0.383 0.000 2.166 463 K HA -0.058 nan 4.320 nan 0.000 0.201 463 K C 0.568 176.926 176.600 -0.403 0.000 1.052 463 K CA 1.207 57.282 56.287 -0.353 0.000 0.969 463 K CB 0.892 33.181 32.500 -0.352 0.000 0.761 463 K HN -0.246 7.715 8.250 -0.482 0.000 0.459 464 Y N -1.945 118.198 120.300 -0.261 0.000 2.326 464 Y HA -0.160 nan 4.550 nan 0.000 0.333 464 Y C -0.383 175.396 175.900 -0.202 0.000 1.240 464 Y CA 1.933 59.908 58.100 -0.209 0.000 1.365 464 Y CB 0.708 39.042 38.460 -0.211 0.000 1.289 464 Y HN -0.872 7.229 8.280 -0.298 0.000 0.548 465 D N 1.190 121.626 120.400 0.059 0.000 2.511 465 D HA 0.118 nan 4.640 nan 0.000 0.276 465 D C -0.272 176.018 176.300 -0.017 0.000 1.220 465 D CA -0.907 53.084 54.000 -0.015 0.000 1.077 465 D CB 1.938 42.724 40.800 -0.023 0.000 1.126 465 D HN 0.192 8.515 8.370 0.116 0.116 0.583 466 E N -1.833 118.338 120.200 -0.048 0.000 2.489 466 E HA -0.081 nan 4.350 nan 0.000 0.193 466 E C -0.541 176.027 176.600 -0.052 0.000 1.057 466 E CA 1.629 57.990 56.400 -0.064 0.000 0.866 466 E CB -0.108 29.553 29.700 -0.065 0.000 0.916 466 E HN 0.311 8.641 8.360 -0.051 0.000 0.500 467 L N -2.306 118.899 121.223 -0.031 0.000 2.379 467 L HA 0.147 nan 4.340 nan 0.000 0.190 467 L C 0.570 177.436 176.870 -0.007 0.000 1.111 467 L CA 1.110 55.937 54.840 -0.022 0.000 0.820 467 L CB 0.317 42.366 42.059 -0.017 0.000 1.046 467 L HN -0.138 7.977 8.230 -0.023 0.102 0.485 468 N N -3.570 115.145 118.700 0.026 0.000 3.339 468 N HA -0.018 nan 4.740 nan 0.000 0.275 468 N C -2.150 173.443 175.510 0.139 0.000 1.514 468 N CA -0.680 52.416 53.050 0.077 0.000 0.879 468 N CB 1.535 40.047 38.487 0.042 0.000 1.557 468 N HN -0.620 7.774 8.380 0.023 0.000 0.524 469 N N -0.285 118.513 118.700 0.163 0.000 2.406 469 N HA -0.136 nan 4.740 nan 0.000 0.269 469 N C -1.484 173.981 175.510 -0.075 0.000 1.210 469 N CA 0.924 53.961 53.050 -0.022 0.000 0.966 469 N CB 0.016 38.396 38.487 -0.178 0.000 1.293 469 N HN 0.224 8.713 8.380 0.183 0.000 0.491 470 K N 3.479 123.831 120.400 -0.078 0.000 2.616 470 K HA 0.267 nan 4.320 nan 0.000 0.241 470 K C -0.344 176.201 176.600 -0.092 0.000 0.961 470 K CA -1.437 54.807 56.287 -0.073 0.000 0.942 470 K CB 1.183 33.657 32.500 -0.043 0.000 1.153 470 K HN -0.308 7.902 8.250 -0.067 0.000 0.452 471 L N 6.440 127.607 121.223 -0.094 0.000 2.930 471 L HA -0.002 nan 4.340 nan 0.000 0.250 471 L C -0.808 176.029 176.870 -0.055 0.000 1.320 471 L CA -0.865 53.919 54.840 -0.093 0.000 1.163 471 L CB -1.722 40.285 42.059 -0.085 0.000 1.542 471 L HN 0.823 9.001 8.230 -0.086 0.000 0.428 472 E N 1.530 121.695 120.200 -0.058 0.000 2.081 472 E HA 0.004 nan 4.350 nan 0.000 0.270 472 E C -1.303 175.268 176.600 -0.049 0.000 1.180 472 E CA -1.208 55.168 56.400 -0.040 0.000 0.926 472 E CB -0.647 29.030 29.700 -0.039 0.000 1.035 472 E HN -0.250 7.960 8.360 -0.069 0.109 0.418 473 P HA -0.124 nan 4.420 nan 0.000 0.222 473 P C 0.729 178.026 177.300 -0.005 0.000 1.153 473 P CA 2.420 65.522 63.100 0.003 0.000 0.798 473 P CB 0.298 32.011 31.700 0.022 0.000 0.796 474 D N -0.358 120.025 120.400 -0.028 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.400 177.702 176.300 0.002 0.000 0.984 474 D CA 3.360 57.352 54.000 -0.012 0.000 0.826 474 D CB -0.427 40.362 40.800 -0.018 0.000 0.973 474 D HN 0.308 8.658 8.370 -0.034 0.000 0.460 475 E N -1.730 118.458 120.200 -0.019 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.478 179.047 176.600 -0.053 0.000 0.994 475 E CA 2.991 59.373 56.400 -0.031 0.000 0.801 475 E CB -0.162 29.509 29.700 -0.048 0.000 0.743 475 E HN 0.113 8.458 8.360 -0.025 0.000 0.453 476 Q N -1.430 118.310 119.800 -0.101 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.196 176.000 -0.101 0.000 0.970 476 Q CA 2.570 58.227 55.803 -0.243 0.000 0.876 476 Q CB -0.250 28.194 28.738 -0.490 0.000 0.935 476 Q HN 0.116 8.153 8.270 -0.091 0.179 0.455 477 R N -1.447 119.141 120.500 0.147 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.713 178.144 176.300 0.217 0.000 1.127 477 R CA 2.611 58.890 56.100 0.300 0.000 0.989 477 R CB -0.489 29.936 30.300 0.209 0.000 0.869 477 R HN -0.205 8.007 8.270 0.095 0.116 0.459 478 R N -2.927 117.643 120.500 0.116 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.176 177.522 176.300 0.077 0.000 1.088 478 R CA 1.285 57.446 56.100 0.101 0.000 0.985 478 R CB -0.134 30.208 30.300 0.070 0.000 0.880 478 R HN -0.657 7.620 8.270 0.071 0.036 0.451 479 L N -1.453 119.785 121.223 0.025 0.000 2.316 479 L HA 0.062 nan 4.340 nan 0.000 0.207 479 L C 0.804 177.703 176.870 0.049 0.000 1.070 479 L CA 0.736 55.566 54.840 -0.017 0.000 0.820 479 L CB 0.112 42.093 42.059 -0.129 0.000 0.992 479 L HN -0.352 7.702 8.230 -0.006 0.173 0.466 480 F N -0.643 119.314 119.950 0.013 0.000 2.512 480 F HA -0.304 nan 4.527 nan 0.000 0.406 480 F C 0.242 176.195 175.800 0.255 0.000 0.990 480 F CA 2.574 60.624 58.000 0.084 0.000 1.137 480 F CB -0.253 38.684 39.000 -0.106 0.000 0.960 480 F HN -0.212 8.098 8.300 0.017 0.000 0.533 481 I N -0.395 120.499 120.570 0.540 0.000 2.465 481 I HA 0.404 nan 4.170 nan 0.000 0.291 481 I C -1.645 174.621 176.117 0.249 0.000 1.014 481 I CA -2.163 59.337 61.300 0.334 0.000 1.093 481 I CB 3.321 41.408 38.000 0.144 0.000 1.267 481 I HN 0.723 9.156 8.210 0.561 0.114 0.431 482 E N 6.667 126.862 120.200 -0.009 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.116 175.383 176.600 -0.167 0.000 1.068 482 E CA 0.368 56.476 56.400 -0.487 0.000 0.882 482 E CB 0.476 29.956 29.700 -0.366 0.000 1.039 482 E HN 0.049 8.782 8.360 0.145 -0.286 0.418 483 L N 5.883 127.029 121.223 -0.128 0.000 2.375 483 L HA 0.106 nan 4.340 nan 0.000 0.215 483 L C -0.457 176.394 176.870 -0.032 0.000 1.108 483 L CA 0.525 55.368 54.840 0.006 0.000 0.830 483 L CB 0.588 42.757 42.059 0.182 0.000 0.959 483 L HN 0.764 8.768 8.230 -0.191 0.111 0.457 484 D N -3.876 116.465 120.400 -0.098 0.000 2.683 484 D HA 0.155 nan 4.640 nan 0.000 0.246 484 D C -2.926 173.353 176.300 -0.035 0.000 1.238 484 D CA -0.470 53.508 54.000 -0.036 0.000 0.759 484 D CB 2.569 43.356 40.800 -0.023 0.000 1.349 484 D HN -0.835 7.428 8.370 -0.178 0.000 0.426 485 K N 2.100 122.540 120.400 0.066 0.000 2.651 485 K HA 0.477 nan 4.320 nan 0.000 0.259 485 K C -1.880 174.805 176.600 0.142 0.000 1.017 485 K CA -0.239 56.064 56.287 0.027 0.000 0.897 485 K CB 1.711 34.214 32.500 0.006 0.000 1.262 485 K HN 0.143 8.472 8.250 0.131 0.000 0.460 486 F N 0.659 120.590 119.950 -0.032 0.000 2.675 486 F HA 0.432 nan 4.527 nan 0.000 0.324 486 F C -2.390 173.440 175.800 0.051 0.000 1.106 486 F CA -2.511 55.487 58.000 -0.005 0.000 0.970 486 F CB 2.578 41.557 39.000 -0.035 0.000 1.385 486 F HN 0.018 8.085 8.300 -0.388 0.000 0.489 487 F N -0.218 119.767 119.950 0.058 0.000 2.436 487 F HA 0.433 nan 4.527 nan 0.000 0.340 487 F C -2.274 173.660 175.800 0.224 0.000 1.113 487 F CA -1.695 56.218 58.000 -0.146 0.000 1.022 487 F CB 2.182 40.788 39.000 -0.656 0.000 1.128 487 F HN -0.046 8.487 8.300 0.388 0.000 0.466 488 Y N 7.228 127.357 120.300 -0.285 0.000 2.638 488 Y HA 0.236 nan 4.550 nan 0.000 0.339 488 Y C -2.271 173.449 175.900 -0.300 0.000 1.084 488 Y CA -1.278 56.604 58.100 -0.362 0.000 1.068 488 Y CB 4.726 43.206 38.460 0.034 0.000 1.294 488 Y HN -0.214 8.158 8.280 0.153 0.000 0.480 489 T N 3.910 118.095 114.554 -0.616 0.000 2.841 489 T HA 0.592 nan 4.350 nan 0.000 0.283 489 T C -1.566 172.960 174.700 -0.291 0.000 1.000 489 T CA -0.639 61.284 62.100 -0.296 0.000 0.977 489 T CB 1.220 69.954 68.868 -0.224 0.000 0.979 489 T HN -0.004 7.434 8.240 -1.337 0.000 0.446 490 L N 5.897 127.065 121.223 -0.093 0.000 2.372 490 L HA 0.434 nan 4.340 nan 0.000 0.273 490 L C -0.503 176.338 176.870 -0.049 0.000 0.989 490 L CA -1.030 53.813 54.840 0.005 0.000 0.841 490 L CB 2.210 44.324 42.059 0.092 0.000 1.225 490 L HN 0.840 8.903 8.230 -0.112 0.100 0.414 491 T N 2.461 116.990 114.554 -0.040 0.000 2.748 491 T HA 0.213 nan 4.350 nan 0.000 0.304 491 T C -0.948 173.733 174.700 -0.031 0.000 1.041 491 T CA -2.156 59.918 62.100 -0.044 0.000 1.033 491 T CB -1.085 67.765 68.868 -0.031 0.000 0.995 491 T HN 0.084 8.489 8.240 -0.014 -0.174 0.536 492 P HA -0.294 nan 4.420 nan 0.000 0.268 492 P C -0.696 176.594 177.300 -0.015 0.000 1.208 492 P CA 0.554 63.637 63.100 -0.029 0.000 0.777 492 P CB 0.118 31.801 31.700 -0.028 0.000 0.875 493 G N 2.276 111.066 108.800 -0.015 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.473 173.430 174.900 0.005 0.000 1.286 493 G CA -0.373 44.724 45.100 -0.006 0.000 0.904 493 G HN -0.067 8.105 8.290 -0.024 0.103 0.577 494 K N 2.989 123.395 120.400 0.011 0.000 2.419 494 K HA -0.173 nan 4.320 nan 0.000 0.282 494 K C -0.826 175.795 176.600 0.033 0.000 1.056 494 K CA 1.039 57.339 56.287 0.021 0.000 1.035 494 K CB -0.228 32.284 32.500 0.019 0.000 0.921 494 K HN 0.116 8.370 8.250 0.008 0.000 0.472 495 N N 5.488 124.216 118.700 0.047 0.000 2.269 495 N HA 0.304 nan 4.740 nan 0.000 0.304 495 N C -1.684 173.869 175.510 0.071 0.000 1.072 495 N CA -0.514 52.580 53.050 0.074 0.000 0.802 495 N CB 4.250 42.801 38.487 0.107 0.000 1.348 495 N HN 0.555 8.858 8.380 0.044 0.103 0.484 496 T N -2.445 112.154 114.554 0.074 0.000 2.841 496 T HA 0.658 nan 4.350 nan 0.000 0.283 496 T C -1.213 173.496 174.700 0.014 0.000 1.000 496 T CA -1.622 60.506 62.100 0.046 0.000 0.977 496 T CB 1.818 70.707 68.868 0.035 0.000 0.979 496 T HN 0.295 8.589 8.240 0.090 0.000 0.446 497 I N 2.051 122.583 120.570 -0.062 0.000 2.530 497 I HA 0.551 nan 4.170 nan 0.000 0.297 497 I C -1.541 174.497 176.117 -0.132 0.000 1.011 497 I CA -1.389 59.752 61.300 -0.264 0.000 1.107 497 I CB 3.361 41.156 38.000 -0.342 0.000 1.285 497 I HN 0.413 8.614 8.210 -0.015 0.000 0.436 498 V N 5.073 124.888 119.914 -0.166 0.000 2.588 498 V HA 0.596 nan 4.120 nan 0.000 0.304 498 V C -1.474 174.528 176.094 -0.154 0.000 1.042 498 V CA -1.354 60.890 62.300 -0.092 0.000 0.877 498 V CB 1.791 33.576 31.823 -0.065 0.000 0.996 498 V HN 0.118 8.157 8.190 -0.251 0.000 0.425 499 R N 7.287 127.726 120.500 -0.102 0.000 2.510 499 R HA 0.343 nan 4.340 nan 0.000 0.294 499 R C -1.887 174.335 176.300 -0.130 0.000 1.056 499 R CA -1.759 54.234 56.100 -0.179 0.000 0.918 499 R CB 2.948 33.097 30.300 -0.252 0.000 1.187 499 R HN 0.328 8.580 8.270 -0.029 0.000 0.437 500 N N 6.427 125.016 118.700 -0.185 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.778 176.157 175.510 -0.219 0.000 1.119 500 N CA -0.430 52.501 53.050 -0.198 0.000 0.983 500 N CB 0.881 39.284 38.487 -0.140 0.000 1.139 500 N HN 0.462 8.721 8.380 -0.202 0.000 0.465 501 H N 3.460 122.347 119.070 -0.305 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.783 177.113 175.328 0.004 0.000 1.121 501 H CA 4.295 60.234 56.048 -0.182 0.000 1.207 501 H CB -0.053 29.753 29.762 0.074 0.000 1.355 501 H HN 0.634 8.778 8.280 -0.227 0.000 0.486 502 Q N -1.606 117.780 119.800 -0.690 0.000 2.124 502 Q HA -0.279 nan 4.340 nan 0.000 0.202 502 Q C 0.860 176.728 176.000 -0.219 0.000 0.977 502 Q CA 2.553 57.997 55.803 -0.598 0.000 0.850 502 Q CB -0.710 27.797 28.738 -0.386 0.000 0.901 502 Q HN 0.291 8.214 8.270 -0.475 0.063 0.429 503 D N -3.017 117.273 120.400 -0.183 0.000 2.344 503 D HA 0.087 nan 4.640 nan 0.000 0.242 503 D C -0.176 176.073 176.300 -0.085 0.000 1.159 503 D CA -0.676 53.249 54.000 -0.124 0.000 0.859 503 D CB -0.818 39.886 40.800 -0.159 0.000 0.925 503 D HN -0.676 7.535 8.370 -0.222 0.026 0.510 504 S N 0.587 116.263 115.700 -0.041 0.000 2.544 504 S HA -0.169 nan 4.470 nan 0.000 0.290 504 S C 0.382 174.967 174.600 -0.024 0.000 1.276 504 S CA 1.280 59.479 58.200 -0.001 0.000 1.075 504 S CB 0.306 63.544 63.200 0.062 0.000 0.849 504 S HN -0.747 7.440 8.310 -0.045 0.096 0.494 505 S N 7.864 123.544 115.700 -0.033 0.000 2.727 505 S HA -0.024 nan 4.470 nan 0.000 0.226 505 S C 0.456 174.999 174.600 -0.095 0.000 0.963 505 S CA 1.732 59.910 58.200 -0.037 0.000 0.950 505 S CB -0.601 62.596 63.200 -0.005 0.000 0.779 505 S HN 0.355 8.806 8.310 -0.017 -0.151 0.532 506 V N -6.788 113.007 119.914 -0.199 0.000 3.635 506 V HA 0.391 nan 4.120 nan 0.000 0.266 506 V C -0.558 175.458 176.094 -0.131 0.000 1.316 506 V CA 0.015 62.047 62.300 -0.447 0.000 1.060 506 V CB 0.761 31.901 31.823 -1.139 0.000 0.820 506 V HN -0.766 7.235 8.190 -0.139 0.105 0.447 507 T N -0.993 113.566 114.554 0.008 0.000 2.928 507 T HA 0.350 nan 4.350 nan 0.000 0.284 507 T C -1.355 173.420 174.700 0.126 0.000 1.008 507 T CA -1.511 60.670 62.100 0.136 0.000 1.057 507 T CB 1.611 70.574 68.868 0.158 0.000 1.018 507 T HN -0.740 7.487 8.240 -0.022 0.000 0.493 508 I N 2.251 122.908 120.570 0.144 0.000 2.472 508 I HA 0.225 nan 4.170 nan 0.000 0.290 508 I C -0.113 176.047 176.117 0.073 0.000 1.016 508 I CA -1.741 59.610 61.300 0.086 0.000 1.348 508 I CB 2.241 40.285 38.000 0.073 0.000 1.417 508 I HN 0.121 8.387 8.210 0.179 0.052 0.521 509 S N 7.423 123.141 115.700 0.030 0.000 2.324 509 S HA -0.041 nan 4.470 nan 0.000 0.210 509 S C 0.059 174.670 174.600 0.018 0.000 1.027 509 S CA 1.532 59.750 58.200 0.029 0.000 0.945 509 S CB 0.568 63.768 63.200 -0.000 0.000 0.908 509 S HN -0.067 8.406 8.310 0.007 -0.158 0.496 510 K N 1.648 122.033 120.400 -0.026 0.000 2.339 510 K HA 0.105 nan 4.320 nan 0.000 0.264 510 K C -1.367 175.183 176.600 -0.084 0.000 0.986 510 K CA -1.288 54.980 56.287 -0.033 0.000 0.866 510 K CB 0.860 33.343 32.500 -0.029 0.000 1.103 510 K HN -0.377 7.841 8.250 -0.053 0.000 0.441 511 V N 4.357 124.251 119.914 -0.034 0.000 2.649 511 V HA -0.004 nan 4.120 nan 0.000 0.292 511 V C -0.524 175.555 176.094 -0.026 0.000 1.055 511 V CA -1.291 60.986 62.300 -0.038 0.000 1.023 511 V CB 1.145 32.980 31.823 0.019 0.000 0.992 511 V HN 0.382 8.576 8.190 0.006 0.000 0.480 512 R N 7.095 127.583 120.500 -0.019 0.000 2.445 512 R HA 0.307 nan 4.340 nan 0.000 0.308 512 R C -0.458 175.866 176.300 0.040 0.000 0.961 512 R CA -1.736 54.386 56.100 0.036 0.000 0.862 512 R CB 1.205 31.581 30.300 0.127 0.000 1.144 512 R HN -0.257 7.994 8.270 -0.031 0.000 0.447 513 T N 1.643 116.217 114.554 0.032 0.000 2.849 513 T HA 0.340 nan 4.350 nan 0.000 0.284 513 T C 0.789 175.518 174.700 0.049 0.000 1.004 513 T CA -1.145 60.968 62.100 0.022 0.000 1.021 513 T CB 1.881 70.749 68.868 -0.001 0.000 1.013 513 T HN 0.263 8.523 8.240 0.033 0.000 0.527 514 F N 3.960 123.805 119.950 -0.175 0.000 2.126 514 F HA -0.411 nan 4.527 nan 0.000 0.299 514 F C 1.314 177.080 175.800 -0.057 0.000 1.096 514 F CA 4.393 62.304 58.000 -0.149 0.000 1.255 514 F CB 0.446 39.244 39.000 -0.337 0.000 0.997 514 F HN 0.142 8.743 8.300 0.037 -0.280 0.479 515 D N -1.888 118.640 120.400 0.215 0.000 2.104 515 D HA -0.358 nan 4.640 nan 0.000 0.194 515 D C 2.443 178.799 176.300 0.092 0.000 0.994 515 D CA 4.040 58.142 54.000 0.169 0.000 0.830 515 D CB -0.600 40.271 40.800 0.119 0.000 0.959 515 D HN -0.324 8.115 8.370 0.116 0.000 0.452 516 Q N -1.158 118.677 119.800 0.060 0.000 2.084 516 Q HA -0.278 nan 4.340 nan 0.000 0.202 516 Q C 2.514 178.529 176.000 0.025 0.000 0.978 516 Q CA 2.838 58.666 55.803 0.041 0.000 0.844 516 Q CB 0.040 28.803 28.738 0.043 0.000 0.898 516 Q HN -0.712 7.502 8.270 0.058 0.090 0.426 517 L N -2.016 119.209 121.223 0.002 0.000 2.079 517 L HA -0.278 nan 4.340 nan 0.000 0.210 517 L C 2.303 179.141 176.870 -0.053 0.000 1.081 517 L CA 2.201 57.008 54.840 -0.056 0.000 0.752 517 L CB -0.522 41.450 42.059 -0.144 0.000 0.896 517 L HN -0.150 8.085 8.230 0.010 0.000 0.433 518 G N -2.528 106.267 108.800 -0.008 0.000 2.479 518 G HA2 -0.309 nan 3.960 nan 0.000 0.220 518 G HA3 -0.309 nan 3.960 nan 0.000 0.220 518 G C -0.114 174.799 174.900 0.021 0.000 1.115 518 G CA 0.951 46.067 45.100 0.027 0.000 0.757 518 G HN -0.301 7.901 8.290 0.017 0.098 0.560 519 A N 1.132 123.961 122.820 0.015 0.000 1.991 519 A HA 0.223 nan 4.320 nan 0.000 0.217 519 A C -0.333 177.241 177.584 -0.017 0.000 1.487 519 A CA 0.469 52.508 52.037 0.004 0.000 0.603 519 A CB 1.095 20.101 19.000 0.010 0.000 1.112 519 A HN -0.579 7.584 8.150 0.022 0.000 0.492 520 G N -1.450 107.337 108.800 -0.021 0.000 2.194 520 G HA2 -0.112 nan 3.960 nan 0.000 0.178 520 G HA3 -0.112 nan 3.960 nan 0.000 0.178 520 G C -1.534 173.348 174.900 -0.030 0.000 2.173 520 G CA -0.130 44.945 45.100 -0.041 0.000 1.042 520 G HN -0.109 8.175 8.290 -0.010 0.000 0.588 521 E N 0.855 121.042 120.200 -0.022 0.000 2.405 521 E HA 0.359 nan 4.350 nan 0.000 0.249 521 E C -0.669 175.926 176.600 -0.007 0.000 1.028 521 E CA -1.062 55.339 56.400 0.001 0.000 0.897 521 E CB 1.585 31.308 29.700 0.038 0.000 1.262 521 E HN 0.131 8.475 8.360 -0.027 0.000 0.442 522 G N -0.340 108.472 108.800 0.019 0.000 4.566 522 G HA2 0.144 nan 3.960 nan 0.000 0.276 522 G HA3 0.144 nan 3.960 nan 0.000 0.276 522 G C -1.308 173.616 174.900 0.040 0.000 1.248 522 G CA 0.266 45.372 45.100 0.009 0.000 0.858 522 G HN 0.199 8.511 8.290 0.036 0.000 0.549 523 V N 0.404 120.376 119.914 0.097 0.000 2.374 523 V HA 0.060 nan 4.120 nan 0.000 0.241 523 V C 0.292 176.450 176.094 0.107 0.000 1.034 523 V CA 1.612 63.988 62.300 0.127 0.000 1.037 523 V CB -0.126 31.833 31.823 0.227 0.000 0.682 523 V HN 0.292 8.550 8.190 0.114 0.000 0.463 524 S N 0.058 115.824 115.700 0.111 0.000 4.572 524 S HA 0.030 nan 4.470 nan 0.000 0.234 524 S C -1.743 172.802 174.600 -0.092 0.000 1.071 524 S CA -0.170 58.032 58.200 0.003 0.000 1.087 524 S CB 0.621 63.821 63.200 0.000 0.000 1.979 524 S HN -0.292 8.146 8.310 0.214 0.000 0.503 525 E N 0.999 121.119 120.200 -0.133 0.000 2.646 525 E HA 0.224 nan 4.350 nan 0.000 0.336 525 E C -1.900 174.585 176.600 -0.192 0.000 1.027 525 E CA -0.016 56.226 56.400 -0.262 0.000 0.765 525 E CB 2.879 32.434 29.700 -0.242 0.000 1.545 525 E HN -0.198 8.115 8.360 -0.078 0.000 0.382 526 D N 1.982 122.278 120.400 -0.174 0.000 2.887 526 D HA 0.245 nan 4.640 nan 0.000 0.221 526 D C -0.988 175.243 176.300 -0.115 0.000 1.276 526 D CA -1.283 52.659 54.000 -0.097 0.000 1.078 526 D CB 2.542 43.336 40.800 -0.010 0.000 1.217 526 D HN -0.087 8.135 8.370 -0.246 0.000 0.631 527 S N -1.155 114.510 115.700 -0.058 0.000 4.228 527 S HA 0.317 nan 4.470 nan 0.000 0.207 527 S C 1.272 175.818 174.600 -0.089 0.000 1.152 527 S CA 0.193 58.328 58.200 -0.109 0.000 1.645 527 S CB 2.283 65.379 63.200 -0.173 0.000 1.307 527 S HN 0.195 8.497 8.310 -0.015 0.000 0.761 528 T N 2.747 117.204 114.554 -0.162 0.000 3.118 528 T HA 0.130 nan 4.350 nan 0.000 0.260 528 T C 0.614 175.195 174.700 -0.199 0.000 1.139 528 T CA 3.184 65.164 62.100 -0.201 0.000 1.085 528 T CB -0.395 68.356 68.868 -0.195 0.000 0.934 528 T HN 0.364 8.478 8.240 -0.210 0.000 0.518 529 E N -0.115 120.023 120.200 -0.104 0.000 2.107 529 E HA -0.238 nan 4.350 nan 0.000 0.191 529 E C 1.555 178.157 176.600 0.003 0.000 0.982 529 E CA 1.682 58.068 56.400 -0.024 0.000 0.809 529 E CB -1.112 28.586 29.700 -0.003 0.000 0.756 529 E HN 0.211 8.479 8.360 -0.124 0.018 0.459 530 Y N 2.478 122.727 120.300 -0.084 0.000 2.185 530 Y HA -0.505 nan 4.550 nan 0.000 0.268 530 Y C -0.300 175.590 175.900 -0.017 0.000 1.281 530 Y CA 3.167 61.233 58.100 -0.058 0.000 1.101 530 Y CB -0.186 38.220 38.460 -0.089 0.000 0.914 530 Y HN -0.137 8.038 8.280 0.092 0.160 0.517 531 C N -7.899 111.185 119.300 -0.360 0.000 4.111 531 C HA 0.282 nan 4.460 nan 0.000 0.443 531 C C 0.737 175.678 174.990 -0.081 0.000 1.586 531 C CA -1.670 57.118 59.018 -0.384 0.000 2.085 531 C CB 0.522 27.989 27.740 -0.456 0.000 3.126 531 C HN 0.078 8.220 8.230 -0.146 0.000 0.684 532 S N 3.171 118.875 115.700 0.007 0.000 2.361 532 S HA -0.109 nan 4.470 nan 0.000 0.214 532 S C 0.795 175.593 174.600 0.329 0.000 1.034 532 S CA 2.443 60.763 58.200 0.200 0.000 1.025 532 S CB -0.229 62.932 63.200 -0.065 0.000 0.996 532 S HN -0.253 8.023 8.310 -0.056 0.000 0.422 533 C N -0.239 119.231 119.300 0.285 0.000 2.827 533 C HA -0.129 nan 4.460 nan 0.000 0.287 533 C C 0.313 175.598 174.990 0.491 0.000 1.497 533 C CA 1.525 60.802 59.018 0.431 0.000 2.161 533 C CB 0.294 28.208 27.740 0.289 0.000 2.120 533 C HN -0.319 7.877 8.230 0.145 0.120 0.676 534 G N -0.210 108.976 108.800 0.643 0.000 2.829 534 G HA2 -0.341 nan 3.960 nan 0.000 0.628 534 G HA3 -0.341 nan 3.960 nan 0.000 0.628 534 G C -1.741 173.351 174.900 0.320 0.000 1.412 534 G CA -0.472 44.872 45.100 0.407 0.000 0.864 534 G HN -0.084 8.697 8.290 0.818 0.000 0.544 535 W N -0.170 121.137 121.300 0.011 0.000 2.313 535 W HA 0.194 nan 4.660 nan 0.000 0.328 535 W C -1.403 175.133 176.519 0.028 0.000 1.197 535 W CA -2.597 54.745 57.345 -0.005 0.000 1.235 535 W CB 1.571 31.069 29.460 0.062 0.000 1.158 535 W HN 0.071 8.366 8.180 0.372 0.108 0.578 536 P HA -0.099 nan 4.420 nan 0.000 0.266 536 P C -0.163 177.050 177.300 -0.145 0.000 1.215 536 P CA 0.326 63.210 63.100 -0.360 0.000 0.763 536 P CB 0.200 31.450 31.700 -0.750 0.000 0.806 537 E N 6.068 126.319 120.200 0.085 0.000 2.049 537 E HA -0.474 nan 4.350 nan 0.000 0.198 537 E C 0.992 177.798 176.600 0.344 0.000 1.007 537 E CA 3.656 60.226 56.400 0.283 0.000 0.809 537 E CB -0.501 29.376 29.700 0.295 0.000 0.749 537 E HN 0.610 9.020 8.360 0.083 0.000 0.450 538 H N -3.812 115.343 119.070 0.142 0.000 2.520 538 H HA -0.177 nan 4.556 nan 0.000 0.295 538 H C 0.331 175.850 175.328 0.318 0.000 1.096 538 H CA 2.090 58.226 56.048 0.147 0.000 1.249 538 H CB -1.025 28.712 29.762 -0.042 0.000 1.365 538 H HN 0.192 8.678 8.280 0.343 0.000 0.556 539 M N -2.198 117.485 119.600 0.139 0.000 2.475 539 M HA 0.199 nan 4.480 nan 0.000 0.283 539 M C 0.660 177.308 176.300 0.581 0.000 1.165 539 M CA -2.747 52.779 55.300 0.377 0.000 0.976 539 M CB -0.999 31.797 32.600 0.325 0.000 1.428 539 M HN -0.424 7.654 8.290 -0.052 0.181 0.495 540 L N 2.326 123.830 121.223 0.469 0.000 2.131 540 L HA -0.171 nan 4.340 nan 0.000 0.210 540 L C -1.410 175.507 176.870 0.077 0.000 1.092 540 L CA 2.882 57.903 54.840 0.302 0.000 0.759 540 L CB 0.499 42.707 42.059 0.247 0.000 0.903 540 L HN -0.051 8.297 8.230 0.494 0.178 0.435 541 I N -3.584 116.964 120.570 -0.037 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.599 173.474 176.117 -0.072 0.000 1.042 541 I CA -3.330 57.881 61.300 -0.147 0.000 1.067 541 I CB 1.867 39.642 38.000 -0.375 0.000 1.233 541 I HN -0.544 7.673 8.210 0.048 0.021 0.431 542 P HA 0.004 nan 4.420 nan 0.000 0.270 542 P C -1.406 175.825 177.300 -0.114 0.000 1.221 542 P CA -0.228 62.828 63.100 -0.073 0.000 0.788 542 P CB 0.681 32.317 31.700 -0.106 0.000 0.904 543 R N 1.427 121.880 120.500 -0.078 0.000 2.127 543 R HA -0.377 nan 4.340 nan 0.000 0.238 543 R C 0.821 177.095 176.300 -0.044 0.000 1.134 543 R CA 1.895 57.915 56.100 -0.133 0.000 0.975 543 R CB 0.463 30.500 30.300 -0.437 0.000 0.865 543 R HN 0.233 8.837 8.270 -0.029 -0.351 0.447 544 G N -2.153 106.651 108.800 0.007 0.000 2.591 544 G HA2 -0.433 nan 3.960 nan 0.000 0.298 544 G HA3 -0.433 nan 3.960 nan 0.000 0.298 544 G C -0.709 174.263 174.900 0.120 0.000 1.195 544 G CA 0.362 45.560 45.100 0.164 0.000 0.989 544 G HN -0.641 7.620 8.290 0.010 0.035 0.551 545 S N -0.720 115.057 115.700 0.128 0.000 2.625 545 S HA 0.240 nan 4.470 nan 0.000 0.271 545 S C -0.121 174.574 174.600 0.158 0.000 1.161 545 S CA -0.868 57.401 58.200 0.115 0.000 0.820 545 S CB 2.432 65.675 63.200 0.072 0.000 1.137 545 S HN -0.446 7.945 8.310 0.136 0.000 0.470 546 H N 3.987 123.121 119.070 0.106 0.000 2.423 546 H HA -0.171 nan 4.556 nan 0.000 0.297 546 H C -0.411 174.951 175.328 0.056 0.000 1.075 546 H CA 2.355 58.462 56.048 0.098 0.000 1.342 546 H CB 0.325 30.139 29.762 0.087 0.000 1.395 546 H HN 0.661 9.082 8.280 0.236 0.000 0.530 547 K N -5.174 115.174 120.400 -0.086 0.000 2.147 547 K HA -0.188 nan 4.320 nan 0.000 0.205 547 K C 0.402 176.950 176.600 -0.086 0.000 1.049 547 K CA 0.475 56.700 56.287 -0.103 0.000 0.936 547 K CB -0.106 32.371 32.500 -0.037 0.000 0.722 547 K HN -0.216 8.027 8.250 0.026 0.022 0.446 548 G N 0.835 109.615 108.800 -0.034 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.402 173.550 174.900 0.086 0.000 1.134 548 G CA -0.600 44.511 45.100 0.019 0.000 1.049 548 G HN -0.586 7.519 8.290 -0.020 0.173 0.458 549 M N 2.576 122.277 119.600 0.168 0.000 2.283 549 M HA 0.151 nan 4.480 nan 0.000 0.314 549 M C -2.081 174.446 176.300 0.378 0.000 1.153 549 M CA -0.469 54.978 55.300 0.246 0.000 1.084 549 M CB 3.178 35.964 32.600 0.310 0.000 1.468 549 M HN 0.198 8.593 8.290 0.176 0.000 0.474 550 E N 0.681 121.047 120.200 0.277 0.000 2.224 550 E HA 0.707 nan 4.350 nan 0.000 0.265 550 E C -1.451 175.139 176.600 -0.016 0.000 0.878 550 E CA -1.141 55.378 56.400 0.197 0.000 0.759 550 E CB 2.610 32.395 29.700 0.140 0.000 1.164 550 E HN 0.144 8.596 8.360 0.152 0.000 0.414 551 F N 4.514 124.447 119.950 -0.028 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.336 174.434 175.800 -0.050 0.000 1.177 551 F CA -1.332 56.643 58.000 -0.043 0.000 1.036 551 F CB 5.005 43.992 39.000 -0.021 0.000 1.455 551 F HN 0.820 9.273 8.300 0.256 0.000 0.520 552 E N -0.395 119.919 120.200 0.190 0.000 2.265 552 E HA 0.350 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.720 176.600 0.242 0.000 0.889 552 E CA -1.344 55.126 56.400 0.117 0.000 0.789 552 E CB 3.577 33.273 29.700 -0.005 0.000 1.221 552 E HN 0.537 8.984 8.360 0.285 0.084 0.414 553 L N 8.388 129.763 121.223 0.254 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.182 174.945 176.870 0.427 0.000 1.055 553 L CA -0.762 54.295 54.840 0.362 0.000 0.863 553 L CB 0.990 43.257 42.059 0.346 0.000 1.245 553 L HN 0.070 8.410 8.230 0.184 0.000 0.432 554 F N 8.952 129.145 119.950 0.406 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.816 174.233 175.800 0.414 0.000 1.123 554 F CA -2.800 55.437 58.000 0.395 0.000 1.044 554 F CB 2.050 41.327 39.000 0.462 0.000 1.135 554 F HN 0.386 9.003 8.300 0.734 0.123 0.461 555 V N 8.129 128.456 119.914 0.689 0.000 2.630 555 V HA 0.643 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.203 176.094 0.293 0.000 1.046 555 V CA -1.847 60.686 62.300 0.389 0.000 0.934 555 V CB 2.606 34.574 31.823 0.242 0.000 1.003 555 V HN 0.974 9.493 8.190 0.740 0.115 0.451 556 M N 3.592 123.275 119.600 0.138 0.000 2.530 556 M HA 0.739 nan 4.480 nan 0.000 0.307 556 M C -2.236 174.054 176.300 -0.016 0.000 1.161 556 M CA -1.496 53.816 55.300 0.019 0.000 0.903 556 M CB 4.435 36.967 32.600 -0.114 0.000 1.711 556 M HN 0.672 9.047 8.290 0.142 0.000 0.451 557 L N 5.197 126.414 121.223 -0.010 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.759 174.943 176.870 -0.280 0.000 1.006 557 L CA -0.651 54.137 54.840 -0.086 0.000 0.836 557 L CB 0.881 43.019 42.059 0.131 0.000 1.221 557 L HN 0.565 8.821 8.230 0.044 0.000 0.418 558 T N 4.801 119.098 114.554 -0.429 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.522 172.595 174.700 -0.971 0.000 1.012 558 T CA -1.650 60.107 62.100 -0.571 0.000 0.997 558 T CB 2.005 70.744 68.868 -0.216 0.000 1.136 558 T HN 0.478 8.547 8.240 -0.285 0.000 0.551 559 D N 0.382 120.339 120.400 -0.739 0.000 2.255 559 D HA 0.233 nan 4.640 nan 0.000 0.249 559 D C 0.154 176.342 176.300 -0.187 0.000 1.078 559 D CA -0.540 53.177 54.000 -0.472 0.000 0.896 559 D CB 1.794 42.564 40.800 -0.050 0.000 1.194 559 D HN 0.309 8.412 8.370 -0.446 0.000 0.429 560 H N 5.498 124.523 119.070 -0.075 0.000 2.448 560 H HA -0.093 nan 4.556 nan 0.000 0.292 560 H C 2.055 177.290 175.328 -0.155 0.000 1.035 560 H CA 3.115 59.105 56.048 -0.096 0.000 1.349 560 H CB 0.949 30.692 29.762 -0.032 0.000 1.425 560 H HN 0.343 8.645 8.280 0.181 0.086 0.539 561 D N -1.160 119.158 120.400 -0.136 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.314 177.504 176.300 -0.183 0.000 0.969 561 D CA 3.049 56.945 54.000 -0.174 0.000 0.842 561 D CB -0.260 40.517 40.800 -0.037 0.000 0.957 561 D HN -0.039 8.611 8.370 0.052 -0.249 0.484 562 E N 0.115 120.227 120.200 -0.148 0.000 2.006 562 E HA -0.264 nan 4.350 nan 0.000 0.192 562 E C 1.140 177.598 176.600 -0.236 0.000 0.993 562 E CA 2.451 58.755 56.400 -0.159 0.000 0.808 562 E CB 0.407 30.029 29.700 -0.130 0.000 0.764 562 E HN -0.767 7.751 8.360 -0.092 -0.213 0.449 563 D N -3.130 117.089 120.400 -0.301 0.000 2.178 563 D HA -0.059 nan 4.640 nan 0.000 0.201 563 D C 0.644 176.712 176.300 -0.387 0.000 0.980 563 D CA 1.791 55.597 54.000 -0.324 0.000 0.842 563 D CB 0.569 41.198 40.800 -0.285 0.000 0.948 563 D HN -0.263 7.823 8.370 -0.288 0.111 0.472 564 T N 0.880 115.082 114.554 -0.587 0.000 2.814 564 T HA -0.001 nan 4.350 nan 0.000 0.297 564 T C 0.498 175.031 174.700 -0.278 0.000 0.956 564 T CA 0.476 62.276 62.100 -0.499 0.000 1.123 564 T CB 0.424 68.916 68.868 -0.627 0.000 0.902 564 T HN -0.401 7.347 8.240 -0.670 0.091 0.528 565 V N 4.131 123.931 119.914 -0.190 0.000 2.694 565 V HA -0.031 nan 4.120 nan 0.000 0.306 565 V C -0.766 175.255 176.094 -0.121 0.000 1.054 565 V CA -0.436 61.788 62.300 -0.127 0.000 1.161 565 V CB 0.244 32.017 31.823 -0.082 0.000 0.916 565 V HN -0.303 7.777 8.190 -0.183 0.000 0.490 566 A N 4.791 127.552 122.820 -0.099 0.000 2.303 566 A HA 0.461 nan 4.320 nan 0.000 0.317 566 A C -0.632 176.917 177.584 -0.058 0.000 1.149 566 A CA -0.205 51.782 52.037 -0.084 0.000 0.822 566 A CB 1.095 20.048 19.000 -0.078 0.000 1.131 566 A HN 0.311 8.407 8.150 -0.091 0.000 0.493 567 G N -0.041 108.729 108.800 -0.049 0.000 2.313 567 G HA2 0.014 nan 3.960 nan 0.000 0.296 567 G HA3 0.014 nan 3.960 nan 0.000 0.296 567 G C -2.280 172.601 174.900 -0.031 0.000 1.356 567 G CA -0.096 44.983 45.100 -0.035 0.000 0.833 567 G HN -0.084 8.174 8.290 -0.054 0.000 0.552 568 L N 0.512 121.721 121.223 -0.022 0.000 2.406 568 L HA 0.409 nan 4.340 nan 0.000 0.270 568 L C -0.503 176.358 176.870 -0.015 0.000 0.982 568 L CA 0.281 55.109 54.840 -0.019 0.000 0.843 568 L CB 1.393 43.442 42.059 -0.017 0.000 1.225 568 L HN 0.277 8.496 8.230 -0.018 0.000 0.412 569 S N 3.763 119.454 115.700 -0.016 0.000 3.576 569 S HA 0.164 nan 4.470 nan 0.000 0.179 569 S C -0.934 173.659 174.600 -0.012 0.000 0.977 569 S CA -0.584 57.608 58.200 -0.012 0.000 1.189 569 S CB 0.844 64.036 63.200 -0.013 0.000 1.443 569 S HN 0.548 8.846 8.310 -0.018 0.000 0.874 570 E N 0.420 120.613 120.200 -0.012 0.000 2.446 570 E HA 0.208 nan 4.350 nan 0.000 0.269 570 E C -1.670 174.925 176.600 -0.008 0.000 0.977 570 E CA -0.305 56.089 56.400 -0.010 0.000 0.854 570 E CB 1.485 31.178 29.700 -0.010 0.000 1.545 570 E HN 0.044 8.397 8.360 -0.013 0.000 0.448 571 N N -0.307 118.389 118.700 -0.007 0.000 2.250 571 N HA -0.135 nan 4.740 nan 0.000 0.256 571 N C -1.420 174.090 175.510 0.000 0.000 1.302 571 N CA 0.078 53.125 53.050 -0.004 0.000 0.894 571 N CB 0.356 38.840 38.487 -0.005 0.000 1.067 571 N HN 0.014 8.389 8.380 -0.009 0.000 0.487 572 A N -1.856 120.967 122.820 0.004 0.000 2.404 572 A HA 0.046 nan 4.320 nan 0.000 0.273 572 A C -1.394 176.194 177.584 0.007 0.000 1.144 572 A CA 0.229 52.270 52.037 0.006 0.000 0.806 572 A CB 0.450 19.455 19.000 0.008 0.000 1.080 572 A HN 0.013 8.165 8.150 0.003 0.000 0.509 573 V N 4.131 124.051 119.914 0.010 0.000 5.000 573 V HA 0.110 nan 4.120 nan 0.000 0.311 573 V C -0.426 175.682 176.094 0.023 0.000 1.608 573 V CA -0.601 61.709 62.300 0.016 0.000 0.814 573 V CB 1.927 33.755 31.823 0.009 0.000 1.241 573 V HN 0.062 8.257 8.190 0.009 0.000 0.451 574 C N 3.531 122.848 119.300 0.030 0.000 3.424 574 C HA 0.252 nan 4.460 nan 0.000 0.577 574 C C 0.319 175.327 174.990 0.031 0.000 1.086 574 C CA -0.381 58.658 59.018 0.034 0.000 1.153 574 C CB -3.378 24.389 27.740 0.043 0.000 1.411 574 C HN 0.435 8.682 8.230 0.029 0.000 0.636 575 S N 3.155 118.870 115.700 0.025 0.000 2.559 575 S HA 0.159 nan 4.470 nan 0.000 0.226 575 S C 0.716 175.332 174.600 0.027 0.000 1.000 575 S CA 1.362 59.576 58.200 0.023 0.000 0.948 575 S CB 1.269 64.474 63.200 0.008 0.000 0.870 575 S HN 0.205 8.437 8.310 0.020 0.090 0.497 576 D N 3.044 123.460 120.400 0.028 0.000 2.103 576 D HA -0.248 nan 4.640 nan 0.000 0.190 576 D C 0.273 176.595 176.300 0.036 0.000 0.997 576 D CA 3.017 57.030 54.000 0.022 0.000 0.833 576 D CB -0.226 40.584 40.800 0.016 0.000 0.961 576 D HN -0.106 8.223 8.370 0.027 0.057 0.447 577 A N -0.790 122.075 122.820 0.073 0.000 2.728 577 A HA 0.091 nan 4.320 nan 0.000 0.258 577 A C 1.272 178.935 177.584 0.132 0.000 1.454 577 A CA -0.183 51.916 52.037 0.104 0.000 1.146 577 A CB -1.305 17.810 19.000 0.192 0.000 0.985 577 A HN -0.155 8.044 8.150 0.081 0.000 0.603 578 V N -2.242 117.719 119.914 0.079 0.000 2.380 578 V HA -0.442 nan 4.120 nan 0.000 0.251 578 V C 1.358 177.560 176.094 0.180 0.000 1.063 578 V CA 2.729 65.070 62.300 0.068 0.000 1.055 578 V CB -1.231 30.555 31.823 -0.061 0.000 0.657 578 V HN 0.224 8.365 8.190 0.043 0.075 0.455 579 S N 2.893 118.711 115.700 0.196 0.000 2.363 579 S HA -0.258 nan 4.470 nan 0.000 0.218 579 S C 1.617 176.617 174.600 0.667 0.000 1.035 579 S CA 3.169 61.620 58.200 0.419 0.000 1.043 579 S CB 0.066 63.348 63.200 0.136 0.000 0.986 579 S HN 0.152 8.508 8.310 0.076 0.000 0.423 580 Y N -2.642 117.866 120.300 0.346 0.000 2.583 580 Y HA 0.038 nan 4.550 nan 0.000 0.293 580 Y C 0.063 176.272 175.900 0.514 0.000 1.157 580 Y CA -0.122 58.164 58.100 0.310 0.000 1.315 580 Y CB -0.271 38.256 38.460 0.112 0.000 1.021 580 Y HN 0.077 8.505 8.280 0.246 0.000 0.536 581 C N -4.781 114.929 119.300 0.684 0.000 3.217 581 C HA 0.348 nan 4.460 nan 0.000 0.220 581 C C -0.204 175.079 174.990 0.488 0.000 2.519 581 C CA -0.324 59.087 59.018 0.656 0.000 1.255 581 C CB 3.208 31.294 27.740 0.577 0.000 1.291 581 C HN -0.624 7.861 8.230 0.601 0.105 0.714 582 G N 0.206 109.220 108.800 0.357 0.000 2.240 582 G HA2 -0.084 nan 3.960 nan 0.000 0.199 582 G HA3 -0.084 nan 3.960 nan 0.000 0.199 582 G C -2.653 172.328 174.900 0.134 0.000 1.342 582 G CA -0.091 45.163 45.100 0.257 0.000 1.145 582 G HN 0.125 8.503 8.290 0.318 0.103 0.477 583 A N -0.327 122.548 122.820 0.092 0.000 2.609 583 A HA 0.240 nan 4.320 nan 0.000 0.291 583 A C -1.842 175.756 177.584 0.023 0.000 1.096 583 A CA -0.839 51.223 52.037 0.042 0.000 0.684 583 A CB 2.477 21.486 19.000 0.015 0.000 1.282 583 A HN 0.056 8.273 8.150 0.112 0.000 0.412 584 R N -0.282 120.219 120.500 0.002 0.000 2.407 584 R HA 0.092 nan 4.340 nan 0.000 0.303 584 R C -0.629 175.663 176.300 -0.013 0.000 0.981 584 R CA 0.085 56.175 56.100 -0.017 0.000 0.905 584 R CB 0.693 30.974 30.300 -0.032 0.000 1.099 584 R HN 0.480 8.753 8.270 0.004 0.000 0.459 585 D N 0.393 120.783 120.400 -0.018 0.000 2.713 585 D HA -0.311 nan 4.640 nan 0.000 0.231 585 D C -1.490 174.809 176.300 -0.001 0.000 1.173 585 D CA 1.498 55.492 54.000 -0.011 0.000 0.628 585 D CB -0.420 40.376 40.800 -0.007 0.000 1.033 585 D HN 0.245 8.596 8.370 -0.032 0.000 0.419 586 D N -2.078 118.325 120.400 0.006 0.000 2.732 586 D HA 0.242 nan 4.640 nan 0.000 0.292 586 D C -1.617 174.700 176.300 0.029 0.000 1.135 586 D CA -1.547 52.458 54.000 0.009 0.000 1.071 586 D CB 2.470 43.269 40.800 -0.001 0.000 1.457 586 D HN -0.437 7.927 8.370 0.010 0.012 0.547 587 R N -0.294 120.222 120.500 0.027 0.000 2.719 587 R HA 0.234 nan 4.340 nan 0.000 0.233 587 R C -0.673 175.677 176.300 0.082 0.000 1.257 587 R CA -1.576 54.561 56.100 0.062 0.000 1.109 587 R CB 1.862 32.188 30.300 0.044 0.000 1.447 587 R HN 0.208 8.482 8.270 0.007 0.000 0.537 588 Y N 2.112 122.423 120.300 0.018 0.000 2.637 588 Y HA 0.103 nan 4.550 nan 0.000 0.350 588 Y C -1.312 174.581 175.900 -0.012 0.000 1.069 588 Y CA -1.213 56.898 58.100 0.017 0.000 1.397 588 Y CB 0.427 38.892 38.460 0.010 0.000 1.163 588 Y HN 0.153 8.571 8.280 0.229 0.000 0.527 589 P HA -0.277 nan 4.420 nan 0.000 0.227 589 P C -1.629 175.569 177.300 -0.171 0.000 1.145 589 P CA 1.391 64.361 63.100 -0.217 0.000 0.769 589 P CB -0.104 31.463 31.700 -0.221 0.000 0.769 590 D N -3.519 116.795 120.400 -0.143 0.000 2.391 590 D HA 0.192 nan 4.640 nan 0.000 0.245 590 D C -0.513 175.793 176.300 0.010 0.000 1.069 590 D CA -2.264 51.699 54.000 -0.060 0.000 0.831 590 D CB 2.577 43.386 40.800 0.015 0.000 1.204 590 D HN -0.521 7.669 8.370 -0.106 0.116 0.503 591 K N 6.342 126.677 120.400 -0.108 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.619 177.115 176.600 -0.173 0.000 1.050 591 K CA 1.936 58.137 56.287 -0.143 0.000 0.927 591 K CB 0.266 32.642 32.500 -0.207 0.000 0.714 591 K HN -0.069 8.087 8.250 -0.156 0.000 0.447 592 K N -2.341 117.902 120.400 -0.262 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.091 176.389 176.600 -0.201 0.000 1.010 592 K CA -0.482 55.572 56.287 -0.389 0.000 0.929 592 K CB 0.583 32.529 32.500 -0.922 0.000 0.998 592 K HN -0.619 7.766 8.250 -0.236 -0.276 0.479 593 A N 2.161 124.890 122.820 -0.151 0.000 2.540 593 A HA -0.060 nan 4.320 nan 0.000 0.239 593 A C -0.130 177.383 177.584 -0.117 0.000 1.061 593 A CA 0.429 52.417 52.037 -0.081 0.000 0.758 593 A CB 0.480 19.517 19.000 0.061 0.000 0.991 593 A HN 0.438 8.485 8.150 -0.170 0.000 0.502 594 M N 3.474 122.848 119.600 -0.377 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.866 176.876 176.300 -0.484 0.000 1.653 594 M CA 1.957 56.787 55.300 -0.782 0.000 1.138 594 M CB -0.568 31.078 32.600 -1.590 0.000 1.995 594 M HN 0.427 8.480 8.290 -0.395 0.000 0.459 595 G N 1.385 110.155 108.800 -0.049 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.675 174.408 174.900 0.305 0.000 1.054 595 G CA -0.532 44.758 45.100 0.318 0.000 0.828 595 G HN -0.052 8.228 8.290 -0.015 0.000 0.462 596 F N 5.394 125.361 119.950 0.029 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.785 173.848 175.800 -0.279 0.000 1.004 596 F CA -0.261 57.646 58.000 -0.154 0.000 1.177 596 F CB 0.834 39.733 39.000 -0.169 0.000 0.974 596 F HN -0.323 8.146 8.300 0.283 0.000 0.541 597 P HA -0.199 nan 4.420 nan 0.000 0.223 597 P C 0.037 176.782 177.300 -0.925 0.000 1.151 597 P CA 2.010 64.096 63.100 -1.690 0.000 0.787 597 P CB 0.144 30.782 31.700 -1.770 0.000 0.788 598 F N -2.290 117.404 119.950 -0.426 0.000 2.757 598 F HA 0.047 nan 4.527 nan 0.000 0.292 598 F C -0.064 175.715 175.800 -0.034 0.000 1.204 598 F CA -0.964 56.828 58.000 -0.347 0.000 1.417 598 F CB -1.969 36.606 39.000 -0.709 0.000 1.001 598 F HN 0.132 7.797 8.300 -0.833 0.135 0.508 599 D N 0.306 120.820 120.400 0.190 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.591 177.005 176.300 0.191 0.000 0.970 599 D CA 2.438 56.598 54.000 0.267 0.000 0.837 599 D CB 0.248 41.243 40.800 0.325 0.000 0.981 599 D HN -0.078 8.272 8.370 0.142 0.105 0.475 600 R N -1.424 119.165 120.500 0.149 0.000 2.719 600 R HA 0.171 nan 4.340 nan 0.000 0.233 600 R C -1.308 174.991 176.300 -0.002 0.000 1.257 600 R CA -1.103 55.012 56.100 0.025 0.000 1.109 600 R CB 1.703 31.922 30.300 -0.135 0.000 1.447 600 R HN -0.887 7.522 8.270 0.232 0.000 0.537 601 K N -0.027 120.350 120.400 -0.038 0.000 2.382 601 K HA -0.134 nan 4.320 nan 0.000 0.275 601 K C -0.764 175.823 176.600 -0.022 0.000 1.009 601 K CA 0.991 57.261 56.287 -0.028 0.000 0.970 601 K CB 0.194 32.675 32.500 -0.032 0.000 0.934 601 K HN 0.197 8.409 8.250 -0.062 0.000 0.479 602 I N 5.104 125.651 120.570 -0.039 0.000 2.418 602 I HA 0.061 nan 4.170 nan 0.000 0.287 602 I C -0.675 175.443 176.117 0.001 0.000 1.008 602 I CA -0.838 60.435 61.300 -0.044 0.000 1.104 602 I CB 1.365 39.236 38.000 -0.216 0.000 1.264 602 I HN 0.100 8.624 8.210 -0.039 -0.337 0.438 603 E N 6.091 126.316 120.200 0.043 0.000 2.358 603 E HA -0.127 nan 4.350 nan 0.000 0.195 603 E C -0.398 176.231 176.600 0.048 0.000 1.010 603 E CA 0.793 57.218 56.400 0.042 0.000 0.856 603 E CB 0.119 29.851 29.700 0.054 0.000 0.795 603 E HN 0.395 8.796 8.360 0.069 0.000 0.504 604 A N -2.359 120.503 122.820 0.070 0.000 2.371 604 A HA 0.126 nan 4.320 nan 0.000 0.257 604 A C 0.370 177.988 177.584 0.057 0.000 1.089 604 A CA 0.061 52.150 52.037 0.086 0.000 0.794 604 A CB 0.788 19.885 19.000 0.160 0.000 1.029 604 A HN -0.459 7.671 8.150 0.078 0.066 0.488 605 R N -1.005 119.527 120.500 0.053 0.000 2.173 605 R HA 0.024 nan 4.340 nan 0.000 0.208 605 R C 0.329 176.648 176.300 0.031 0.000 1.035 605 R CA 0.491 56.609 56.100 0.031 0.000 1.004 605 R CB 0.253 30.567 30.300 0.023 0.000 0.917 605 R HN -0.096 8.637 8.270 0.062 -0.426 0.462 606 T N -2.579 112.011 114.554 0.059 0.000 2.893 606 T HA 0.317 nan 4.350 nan 0.000 0.291 606 T C -0.615 174.167 174.700 0.135 0.000 1.028 606 T CA -1.804 60.333 62.100 0.061 0.000 0.995 606 T CB 2.764 71.652 68.868 0.034 0.000 1.051 606 T HN -0.681 7.821 8.240 0.077 -0.216 0.470 607 A N 7.780 130.686 122.820 0.144 0.000 2.093 607 A HA -0.238 nan 4.320 nan 0.000 0.222 607 A C 0.618 178.352 177.584 0.250 0.000 1.162 607 A CA 2.914 55.132 52.037 0.301 0.000 0.655 607 A CB -0.239 18.904 19.000 0.237 0.000 0.805 607 A HN 0.512 8.710 8.150 0.081 0.000 0.461 608 A N -2.432 120.452 122.820 0.106 0.000 1.929 608 A HA -0.207 nan 4.320 nan 0.000 0.216 608 A C 2.389 180.059 177.584 0.144 0.000 1.176 608 A CA 2.293 54.377 52.037 0.078 0.000 0.628 608 A CB 0.117 19.131 19.000 0.024 0.000 0.816 608 A HN -0.285 7.880 8.150 0.066 0.024 0.444 609 E N -0.169 120.132 120.200 0.169 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.754 178.500 176.600 0.244 0.000 0.988 609 E CA 2.341 58.844 56.400 0.171 0.000 0.811 609 E CB -0.139 29.655 29.700 0.158 0.000 0.746 609 E HN -0.444 7.900 8.360 0.159 0.112 0.466 610 F N -2.650 117.393 119.950 0.155 0.000 2.699 610 F HA -0.172 nan 4.527 nan 0.000 0.298 610 F C -0.542 175.386 175.800 0.213 0.000 1.154 610 F CA 0.594 58.704 58.000 0.184 0.000 1.457 610 F CB 0.757 39.915 39.000 0.263 0.000 1.106 610 F HN -0.918 7.642 8.300 0.464 0.017 0.585 611 L N 1.118 122.491 121.223 0.251 0.000 2.530 611 L HA -0.153 nan 4.340 nan 0.000 0.273 611 L C -0.911 175.977 176.870 0.030 0.000 1.141 611 L CA 0.134 55.078 54.840 0.173 0.000 0.905 611 L CB 0.313 42.449 42.059 0.129 0.000 1.202 611 L HN -0.706 7.487 8.230 0.261 0.193 0.473 612 T N 3.569 118.106 114.554 -0.029 0.000 2.918 612 T HA 0.484 nan 4.350 nan 0.000 0.283 612 T C -0.680 174.035 174.700 0.025 0.000 1.001 612 T CA -2.941 59.138 62.100 -0.035 0.000 1.041 612 T CB -0.087 68.723 68.868 -0.096 0.000 1.028 612 T HN -0.418 7.783 8.240 -0.065 0.000 0.511 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.990 176.348 177.300 0.063 0.000 1.172 613 P CA 1.545 64.668 63.100 0.039 0.000 0.759 613 P CB -0.401 31.310 31.700 0.019 0.000 0.843 614 N N -6.256 112.492 118.700 0.079 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.800 173.778 175.510 0.113 0.000 1.165 614 N CA -1.020 52.105 53.050 0.125 0.000 0.873 614 N CB 0.129 38.742 38.487 0.211 0.000 1.125 614 N HN 0.194 8.534 8.380 0.055 0.074 0.513 615 M N -0.775 118.909 119.600 0.140 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.461 175.019 176.300 0.301 0.000 1.229 615 M CA -0.356 55.105 55.300 0.268 0.000 0.860 615 M CB 5.335 38.144 32.600 0.349 0.000 1.741 615 M HN -0.004 8.209 8.290 0.122 0.150 0.462 616 G N 0.203 109.241 108.800 0.397 0.000 2.635 616 G HA2 0.222 nan 3.960 nan 0.000 0.295 616 G HA3 0.222 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.934 174.900 0.062 0.000 1.359 616 G CA 0.404 45.598 45.100 0.158 0.000 1.232 616 G HN 0.234 8.929 8.290 0.676 0.000 0.597 617 L N 3.379 124.461 121.223 -0.234 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.634 176.213 176.870 -0.039 0.000 1.065 617 L CA -0.407 54.282 54.840 -0.252 0.000 0.806 617 L CB 1.183 42.991 42.059 -0.419 0.000 1.175 617 L HN 0.264 8.348 8.230 -0.244 0.000 0.431 618 T N 6.329 120.919 114.554 0.060 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.303 173.444 174.700 0.078 0.000 1.033 618 T CA -0.662 61.487 62.100 0.080 0.000 0.991 618 T CB 0.910 69.865 68.868 0.145 0.000 0.981 618 T HN 0.448 8.639 8.240 0.112 0.116 0.457 619 D N 6.186 126.607 120.400 0.034 0.000 2.371 619 D HA 0.045 nan 4.640 nan 0.000 0.256 619 D C -0.729 175.603 176.300 0.053 0.000 1.193 619 D CA -0.165 53.852 54.000 0.029 0.000 0.881 619 D CB 0.274 41.061 40.800 -0.022 0.000 1.143 619 D HN 0.211 8.591 8.370 0.017 0.000 0.473 620 I N -3.724 116.898 120.570 0.087 0.000 2.785 620 I HA 0.480 nan 4.170 nan 0.000 0.302 620 I C -1.458 174.727 176.117 0.113 0.000 1.069 620 I CA -2.877 58.468 61.300 0.075 0.000 1.045 620 I CB 3.393 41.421 38.000 0.046 0.000 1.236 620 I HN -0.437 7.842 8.210 0.114 0.000 0.429 621 K N 1.193 121.630 120.400 0.061 0.000 2.118 621 K HA 0.749 nan 4.320 nan 0.000 0.254 621 K C -1.006 175.585 176.600 -0.016 0.000 0.961 621 K CA -2.339 53.996 56.287 0.080 0.000 0.876 621 K CB 1.824 34.351 32.500 0.046 0.000 1.077 621 K HN 0.420 8.573 8.250 0.024 0.112 0.440 622 I N 1.124 121.691 120.570 -0.004 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.069 174.046 176.117 -0.004 0.000 1.032 622 I CA -0.972 60.266 61.300 -0.103 0.000 1.073 622 I CB 2.957 40.781 38.000 -0.293 0.000 1.251 622 I HN 0.729 9.014 8.210 0.124 0.000 0.426 623 K N 3.426 123.823 120.400 -0.004 0.000 2.471 623 K HA 0.555 nan 4.320 nan 0.000 0.252 623 K C -1.598 175.064 176.600 0.103 0.000 0.938 623 K CA -2.370 53.938 56.287 0.034 0.000 0.796 623 K CB 3.040 35.522 32.500 -0.031 0.000 1.161 623 K HN 0.523 8.754 8.250 -0.032 0.000 0.425 624 F N 6.643 126.611 119.950 0.028 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.468 174.428 175.800 0.159 0.000 1.083 624 F CA -1.171 56.862 58.000 0.054 0.000 1.174 624 F CB 0.552 39.553 39.000 0.002 0.000 1.096 624 F HN 0.299 8.631 8.300 0.271 0.130 0.545 625 H N 10.816 129.519 119.070 -0.611 0.000 3.215 625 H HA -0.055 nan 4.556 nan 0.000 0.253 625 H C -0.302 174.379 175.328 -1.077 0.000 1.102 625 H CA -0.000 55.705 56.048 -0.572 0.000 1.482 625 H CB -0.186 29.350 29.762 -0.376 0.000 1.542 625 H HN 0.166 8.135 8.280 -0.344 0.104 0.498 626 G N 0.000 108.210 108.800 -0.984 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.668 45.100 -0.720 0.000 0.502 626 G HN 0.000 7.994 8.290 -0.494 0.000 0.925