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 2ywc_1_B DATA FIRST_RESID 2 DATA SEQUENCE VLVLDFGSQY TRLIARRLRE LRAFSLILPG DAPLEEVLKH RPQALILSGG DATA SEQUENCE PRSVFDPDAP RPDPRLFSSG LPLLGICYGX QLLAQELGGR VERAGRAEYG DATA SEQUENCE KALLTRHEGP LFRGLEGEVQ VWXSHQDAVT APPPGWRVVA ETEENPVAAI DATA SEQUENCE ASPDGRAYGV QFHPEVAHTP KGXQILENFL ELAGVKRDWT PEHVLEELLR DATA SEQUENCE EVRERAGKDR VLLAVSGGVD SSTLALLLAK AGVDHLAVFV DHGLLRLGER DATA SEQUENCE EEVEGALRAL GVNLLVVDAK ERFLKALKGV EDPEEKRKII GREFVAAFSQ DATA SEQUENCE VARERGPFRF LAQGTLYPDV IXXXXXXXXX XXXXXXXXXX XXXXXEFELL DATA SEQUENCE EPFRLLFKDE VRELALLLGL PDTLRLRHPF PGPGLAVRVL GEVTEERLEI DATA SEQUENCE LRRADDIFTS LLREWGLYEK VAQALAVLTP VXXXXXXXXX XXXGYVLALR DATA SEQUENCE AVTTEDFXTA DWARLPLEFL DEAARRITRR VPEIGRVVYD LTSKPPATIE DATA SEQUENCE WE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.048 176.094 -0.077 0.000 1.182 2 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 2 V CB 0.000 31.832 31.823 0.015 0.000 1.184 3 L N 3.568 124.775 121.223 -0.026 0.000 2.309 3 L HA 0.784 5.122 4.340 -0.003 0.000 0.282 3 L C -0.803 176.055 176.870 -0.020 0.000 1.036 3 L CA -0.702 54.112 54.840 -0.044 0.000 0.806 3 L CB 1.846 43.900 42.059 -0.008 0.000 1.220 3 L HN 0.552 nan 8.230 nan 0.000 0.429 4 V N 5.918 125.808 119.914 -0.040 0.000 2.357 4 V HA 0.318 4.436 4.120 -0.003 0.000 0.284 4 V C 0.047 176.106 176.094 -0.058 0.000 1.018 4 V CA -0.512 61.775 62.300 -0.021 0.000 0.841 4 V CB 1.533 33.349 31.823 -0.011 0.000 0.991 4 V HN 0.543 nan 8.190 nan 0.000 0.437 5 L N 4.107 125.286 121.223 -0.073 0.000 2.261 5 L HA 0.384 4.723 4.340 -0.003 0.000 0.289 5 L C 0.090 176.714 176.870 -0.411 0.000 1.059 5 L CA -0.343 54.351 54.840 -0.244 0.000 0.816 5 L CB 0.964 42.893 42.059 -0.217 0.000 1.191 5 L HN 0.598 nan 8.230 nan 0.000 0.431 6 D N 3.166 123.321 120.400 -0.408 0.000 2.352 6 D HA 0.095 4.733 4.640 -0.003 0.000 0.245 6 D C -0.035 175.969 176.300 -0.494 0.000 1.224 6 D CA 0.046 53.852 54.000 -0.323 0.000 0.879 6 D CB 0.478 41.171 40.800 -0.179 0.000 1.057 6 D HN 0.193 nan 8.370 nan 0.000 0.491 7 F N 1.938 121.875 119.950 -0.021 0.000 2.730 7 F HA 0.336 4.861 4.527 -0.003 0.000 0.295 7 F C 1.919 177.603 175.800 -0.193 0.000 1.143 7 F CA -0.024 57.907 58.000 -0.115 0.000 1.367 7 F CB 0.591 39.511 39.000 -0.134 0.000 0.970 7 F HN 0.631 nan 8.300 nan 0.000 0.514 8 G N -0.520 108.268 108.800 -0.020 0.000 2.232 8 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.226 8 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.226 8 G C 0.578 175.464 174.900 -0.023 0.000 0.996 8 G CA 0.081 45.157 45.100 -0.041 0.000 0.626 8 G HN 0.401 nan 8.290 nan 0.000 0.509 9 S N 0.996 116.714 115.700 0.030 0.000 2.563 9 S HA 0.242 4.710 4.470 -0.003 0.000 0.294 9 S C 1.878 176.449 174.600 -0.048 0.000 1.279 9 S CA 1.040 59.265 58.200 0.042 0.000 1.069 9 S CB 0.694 64.014 63.200 0.199 0.000 0.828 9 S HN 0.806 nan 8.310 nan 0.000 0.497 10 Q N 3.599 123.280 119.800 -0.199 0.000 2.437 10 Q HA -0.098 4.240 4.340 -0.003 0.000 0.210 10 Q C 0.070 175.942 176.000 -0.213 0.000 0.972 10 Q CA 1.463 57.113 55.803 -0.255 0.000 0.903 10 Q CB -0.281 28.229 28.738 -0.380 0.000 0.967 10 Q HN 0.906 nan 8.270 nan 0.000 0.486 11 Y N 0.154 120.451 120.300 -0.005 0.000 2.485 11 Y HA 0.276 4.824 4.550 -0.003 0.000 0.260 11 Y C 1.823 177.729 175.900 0.011 0.000 1.173 11 Y CA -0.252 57.831 58.100 -0.027 0.000 1.252 11 Y CB 0.208 38.635 38.460 -0.055 0.000 1.123 11 Y HN 0.060 nan 8.280 nan 0.000 0.524 12 T N -0.039 114.596 114.554 0.134 0.000 2.684 12 T HA -0.189 4.160 4.350 -0.003 0.000 0.267 12 T C 2.046 176.783 174.700 0.062 0.000 1.036 12 T CA 1.653 63.807 62.100 0.090 0.000 1.148 12 T CB -0.049 68.840 68.868 0.035 0.000 0.863 12 T HN 0.369 nan 8.240 nan 0.000 0.436 13 R N 0.381 120.907 120.500 0.043 0.000 2.115 13 R HA 0.093 4.431 4.340 -0.003 0.000 0.230 13 R C 2.451 178.749 176.300 -0.004 0.000 1.111 13 R CA 0.769 56.897 56.100 0.047 0.000 0.976 13 R CB -0.457 29.871 30.300 0.047 0.000 0.870 13 R HN 0.363 nan 8.270 nan 0.000 0.445 14 L N 0.526 121.750 121.223 0.001 0.000 2.046 14 L HA -0.192 4.147 4.340 -0.003 0.000 0.208 14 L C 2.319 179.162 176.870 -0.045 0.000 1.077 14 L CA 1.316 56.124 54.840 -0.054 0.000 0.747 14 L CB -0.297 41.746 42.059 -0.027 0.000 0.896 14 L HN 0.183 nan 8.230 nan 0.000 0.432 15 I N -0.321 120.259 120.570 0.017 0.000 2.163 15 I HA -0.329 3.839 4.170 -0.003 0.000 0.243 15 I C 2.781 178.899 176.117 0.002 0.000 1.085 15 I CA 1.288 62.600 61.300 0.021 0.000 1.347 15 I CB -0.483 37.551 38.000 0.057 0.000 1.044 15 I HN 0.225 nan 8.210 nan 0.000 0.408 16 A N 0.910 123.742 122.820 0.020 0.000 1.883 16 A HA -0.229 4.090 4.320 -0.003 0.000 0.217 16 A C 2.393 179.982 177.584 0.009 0.000 1.186 16 A CA 1.715 53.778 52.037 0.043 0.000 0.624 16 A CB -0.607 18.501 19.000 0.180 0.000 0.822 16 A HN 0.335 nan 8.150 nan 0.000 0.444 17 R N -1.067 119.369 120.500 -0.107 0.000 2.081 17 R HA -0.056 4.282 4.340 -0.003 0.000 0.235 17 R C 2.429 178.665 176.300 -0.106 0.000 1.131 17 R CA 1.167 57.122 56.100 -0.243 0.000 0.960 17 R CB -0.282 29.717 30.300 -0.502 0.000 0.856 17 R HN 0.348 nan 8.270 nan 0.000 0.436 18 R N 0.953 121.403 120.500 -0.082 0.000 2.083 18 R HA -0.110 4.228 4.340 -0.003 0.000 0.237 18 R C 2.369 178.667 176.300 -0.004 0.000 1.137 18 R CA 1.284 57.358 56.100 -0.044 0.000 0.951 18 R CB -0.852 29.425 30.300 -0.038 0.000 0.851 18 R HN 0.279 nan 8.270 nan 0.000 0.434 19 L N 0.463 121.686 121.223 -0.000 0.000 2.043 19 L HA -0.205 4.133 4.340 -0.003 0.000 0.212 19 L C 2.761 179.655 176.870 0.040 0.000 1.075 19 L CA 1.557 56.407 54.840 0.017 0.000 0.752 19 L CB -0.409 41.643 42.059 -0.010 0.000 0.891 19 L HN 0.177 nan 8.230 nan 0.000 0.432 20 R N 0.009 120.530 120.500 0.034 0.000 2.081 20 R HA -0.181 4.157 4.340 -0.003 0.000 0.235 20 R C 2.085 178.523 176.300 0.230 0.000 1.131 20 R CA 1.387 57.578 56.100 0.151 0.000 0.960 20 R CB -0.352 30.059 30.300 0.186 0.000 0.856 20 R HN 0.424 nan 8.270 nan 0.000 0.436 21 E N 0.583 120.855 120.200 0.119 0.000 2.331 21 E HA -0.120 4.228 4.350 -0.003 0.000 0.199 21 E C 0.944 177.594 176.600 0.083 0.000 1.008 21 E CA 0.691 57.143 56.400 0.086 0.000 0.843 21 E CB 0.086 29.799 29.700 0.022 0.000 0.761 21 E HN 0.285 nan 8.360 nan 0.000 0.507 22 L N 0.793 122.070 121.223 0.090 0.000 2.791 22 L HA 0.206 4.544 4.340 -0.003 0.000 0.239 22 L C -0.248 176.687 176.870 0.109 0.000 1.203 22 L CA -0.376 54.510 54.840 0.076 0.000 1.002 22 L CB 0.106 42.199 42.059 0.056 0.000 1.295 22 L HN 0.017 nan 8.230 nan 0.000 0.504 23 R N -0.450 120.151 120.500 0.168 0.000 3.322 23 R HA -0.190 4.149 4.340 -0.003 0.000 0.253 23 R C -0.066 176.401 176.300 0.277 0.000 0.987 23 R CA 0.790 57.035 56.100 0.242 0.000 0.666 23 R CB -2.295 28.090 30.300 0.142 0.000 1.072 23 R HN 0.350 nan 8.270 nan 0.000 0.447 24 A N 0.683 123.651 122.820 0.246 0.000 2.356 24 A HA 0.647 4.965 4.320 -0.003 0.000 0.310 24 A C -0.383 177.238 177.584 0.062 0.000 1.075 24 A CA -0.790 51.356 52.037 0.182 0.000 0.746 24 A CB 1.057 20.111 19.000 0.090 0.000 1.221 24 A HN 0.214 nan 8.150 nan 0.000 0.443 25 F N 2.941 122.799 119.950 -0.154 0.000 2.450 25 F HA 0.519 5.045 4.527 -0.003 0.000 0.339 25 F C 0.705 176.264 175.800 -0.402 0.000 1.146 25 F CA 0.354 57.984 58.000 -0.616 0.000 1.267 25 F CB 1.009 39.731 39.000 -0.463 0.000 1.178 25 F HN 0.686 nan 8.300 nan 0.000 0.585 26 S N 5.680 120.628 115.700 -1.252 0.000 2.541 26 S HA 0.829 5.297 4.470 -0.003 0.000 0.271 26 S C -1.466 172.543 174.600 -0.985 0.000 1.133 26 S CA -0.999 56.719 58.200 -0.803 0.000 0.876 26 S CB 1.657 64.636 63.200 -0.370 0.000 1.105 26 S HN 0.720 nan 8.310 nan 0.000 0.470 27 L N 1.720 122.598 121.223 -0.575 0.000 2.393 27 L HA 0.643 4.981 4.340 -0.003 0.000 0.260 27 L C -1.173 175.627 176.870 -0.116 0.000 1.002 27 L CA -1.009 53.593 54.840 -0.396 0.000 0.818 27 L CB 2.078 43.855 42.059 -0.470 0.000 1.369 27 L HN 0.691 nan 8.230 nan 0.000 0.412 28 I N 2.516 123.118 120.570 0.053 0.000 2.412 28 I HA 0.535 4.704 4.170 -0.003 0.000 0.296 28 I C -0.743 175.370 176.117 -0.006 0.000 0.987 28 I CA -0.484 60.826 61.300 0.015 0.000 1.180 28 I CB 1.861 39.868 38.000 0.011 0.000 1.340 28 I HN 0.302 nan 8.210 nan 0.000 0.455 29 L N 6.241 127.434 121.223 -0.050 0.000 2.409 29 L HA 0.527 4.865 4.340 -0.003 0.000 0.262 29 L C -2.572 174.225 176.870 -0.121 0.000 0.992 29 L CA -1.964 52.845 54.840 -0.053 0.000 0.817 29 L CB 2.768 44.812 42.059 -0.024 0.000 1.350 29 L HN 0.234 nan 8.230 nan 0.000 0.411 30 P HA 0.002 nan 4.420 nan 0.000 0.267 30 P C 0.545 177.689 177.300 -0.261 0.000 1.200 30 P CA 0.177 63.181 63.100 -0.161 0.000 0.772 30 P CB 0.778 32.425 31.700 -0.087 0.000 0.855 31 G N 2.192 110.702 108.800 -0.483 0.000 2.432 31 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.219 31 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.219 31 G C 0.376 175.174 174.900 -0.170 0.000 1.135 31 G CA 0.575 45.181 45.100 -0.822 0.000 0.767 31 G HN 0.625 nan 8.290 nan 0.000 0.550 32 D N 0.408 120.782 120.400 -0.043 0.000 2.881 32 D HA 0.521 5.159 4.640 -0.003 0.000 0.240 32 D C 0.729 177.043 176.300 0.024 0.000 1.249 32 D CA -0.247 53.789 54.000 0.061 0.000 0.839 32 D CB 0.168 41.016 40.800 0.081 0.000 1.042 32 D HN 0.275 nan 8.370 nan 0.000 0.475 33 A N 0.811 123.629 122.820 -0.005 0.000 2.322 33 A HA 0.559 4.877 4.320 -0.003 0.000 0.269 33 A C -2.297 175.296 177.584 0.015 0.000 1.094 33 A CA -1.389 50.648 52.037 -0.001 0.000 0.807 33 A CB 0.227 19.218 19.000 -0.016 0.000 1.047 33 A HN 0.144 nan 8.150 nan 0.000 0.487 34 P HA 0.112 nan 4.420 nan 0.000 0.271 34 P C 0.880 178.185 177.300 0.010 0.000 1.216 34 P CA -0.461 62.649 63.100 0.017 0.000 0.776 34 P CB 0.535 32.242 31.700 0.011 0.000 0.881 35 L N 3.809 125.041 121.223 0.014 0.000 2.079 35 L HA -0.232 4.107 4.340 -0.003 0.000 0.210 35 L C 1.873 178.741 176.870 -0.003 0.000 1.081 35 L CA 2.089 56.932 54.840 0.007 0.000 0.752 35 L CB -1.153 40.915 42.059 0.014 0.000 0.896 35 L HN 0.405 nan 8.230 nan 0.000 0.433 36 E N -1.226 118.971 120.200 -0.004 0.000 2.077 36 E HA -0.247 4.102 4.350 -0.003 0.000 0.193 36 E C 2.026 178.604 176.600 -0.037 0.000 0.989 36 E CA 1.538 57.928 56.400 -0.017 0.000 0.800 36 E CB -0.838 28.854 29.700 -0.012 0.000 0.746 36 E HN 0.542 nan 8.360 nan 0.000 0.452 37 E N 0.883 121.064 120.200 -0.032 0.000 2.072 37 E HA -0.115 4.234 4.350 -0.003 0.000 0.191 37 E C 2.166 178.737 176.600 -0.050 0.000 0.985 37 E CA 1.221 57.591 56.400 -0.050 0.000 0.801 37 E CB 0.035 29.725 29.700 -0.017 0.000 0.750 37 E HN 0.268 nan 8.360 nan 0.000 0.452 38 V N 1.346 121.253 119.914 -0.011 0.000 2.407 38 V HA -0.241 3.877 4.120 -0.003 0.000 0.248 38 V C 2.416 178.520 176.094 0.016 0.000 1.055 38 V CA 1.361 63.672 62.300 0.017 0.000 1.049 38 V CB -0.368 31.458 31.823 0.005 0.000 0.662 38 V HN 0.263 nan 8.190 nan 0.000 0.455 39 L N 0.169 121.383 121.223 -0.015 0.000 2.509 39 L HA 0.004 4.342 4.340 -0.003 0.000 0.222 39 L C 2.422 179.268 176.870 -0.041 0.000 1.123 39 L CA 0.590 55.424 54.840 -0.011 0.000 0.856 39 L CB -0.566 41.489 42.059 -0.007 0.000 0.985 39 L HN 0.427 nan 8.230 nan 0.000 0.456 40 K N -0.663 119.661 120.400 -0.125 0.000 2.280 40 K HA -0.171 4.147 4.320 -0.003 0.000 0.202 40 K C 1.384 177.875 176.600 -0.181 0.000 1.047 40 K CA 1.220 57.398 56.287 -0.181 0.000 0.942 40 K CB -0.243 32.097 32.500 -0.267 0.000 0.739 40 K HN 0.361 nan 8.250 nan 0.000 0.457 41 H N 0.803 119.884 119.070 0.018 0.000 2.539 41 H HA 0.122 4.676 4.556 -0.003 0.000 0.267 41 H C 0.012 175.358 175.328 0.030 0.000 0.982 41 H CA 0.389 56.454 56.048 0.028 0.000 1.146 41 H CB 0.134 29.914 29.762 0.030 0.000 1.382 41 H HN 0.129 nan 8.280 nan 0.000 0.577 42 R N 1.096 121.656 120.500 0.100 0.000 3.127 42 R HA -0.114 4.225 4.340 -0.003 0.000 0.247 42 R C -2.790 173.557 176.300 0.079 0.000 0.896 42 R CA -0.253 55.889 56.100 0.069 0.000 0.624 42 R CB -2.042 28.291 30.300 0.055 0.000 1.154 42 R HN 0.249 nan 8.270 nan 0.000 0.474 43 P HA 0.116 nan 4.420 nan 0.000 0.275 43 P C 0.240 177.568 177.300 0.046 0.000 1.228 43 P CA -0.306 62.833 63.100 0.064 0.000 0.786 43 P CB 0.792 32.527 31.700 0.058 0.000 0.927 44 Q N 0.541 120.365 119.800 0.040 0.000 2.402 44 Q HA 0.297 4.635 4.340 -0.003 0.000 0.206 44 Q C 0.228 176.237 176.000 0.015 0.000 0.919 44 Q CA 0.379 56.195 55.803 0.021 0.000 0.923 44 Q CB 0.386 29.132 28.738 0.012 0.000 1.048 44 Q HN 0.573 nan 8.270 nan 0.000 0.515 45 A N 0.189 123.035 122.820 0.043 0.000 2.610 45 A HA 0.696 5.015 4.320 -0.003 0.000 0.291 45 A C -1.796 175.865 177.584 0.129 0.000 1.086 45 A CA -0.658 51.436 52.037 0.094 0.000 0.677 45 A CB 1.130 20.176 19.000 0.076 0.000 1.278 45 A HN 0.129 nan 8.150 nan 0.000 0.414 46 L N 0.691 122.026 121.223 0.186 0.000 2.370 46 L HA 0.690 5.029 4.340 -0.003 0.000 0.266 46 L C -1.045 175.904 176.870 0.133 0.000 1.002 46 L CA -0.530 54.382 54.840 0.120 0.000 0.818 46 L CB 2.164 44.259 42.059 0.060 0.000 1.325 46 L HN 0.617 nan 8.230 nan 0.000 0.418 47 I N 3.102 123.716 120.570 0.075 0.000 2.512 47 I HA 0.266 4.434 4.170 -0.003 0.000 0.287 47 I C -1.235 174.935 176.117 0.088 0.000 1.069 47 I CA -0.656 60.665 61.300 0.036 0.000 1.056 47 I CB 2.274 40.281 38.000 0.012 0.000 1.229 47 I HN 0.264 nan 8.210 nan 0.000 0.429 48 L N 6.044 127.352 121.223 0.141 0.000 2.260 48 L HA 0.293 4.632 4.340 -0.003 0.000 0.289 48 L C 0.866 177.926 176.870 0.316 0.000 1.057 48 L CA 0.205 55.254 54.840 0.348 0.000 0.811 48 L CB 1.045 43.326 42.059 0.370 0.000 1.184 48 L HN 0.680 nan 8.230 nan 0.000 0.429 49 S N 1.800 117.728 115.700 0.379 0.000 2.634 49 S HA 0.631 5.100 4.470 -0.003 0.000 0.254 49 S C 0.589 175.418 174.600 0.381 0.000 1.299 49 S CA -0.160 58.226 58.200 0.310 0.000 0.974 49 S CB 0.658 64.000 63.200 0.237 0.000 1.001 49 S HN 0.658 nan 8.310 nan 0.000 0.584 50 G N -1.307 107.698 108.800 0.343 0.000 2.531 50 G HA2 0.664 4.622 3.960 -0.003 0.000 0.281 50 G HA3 0.664 4.622 3.960 -0.003 0.000 0.281 50 G C 0.014 175.063 174.900 0.248 0.000 1.382 50 G CA -0.647 44.659 45.100 0.342 0.000 1.045 50 G HN 1.371 nan 8.290 nan 0.000 0.533 51 G N -1.934 106.948 108.800 0.136 0.000 2.579 51 G HA2 0.547 4.506 3.960 -0.003 0.000 0.292 51 G HA3 0.547 4.506 3.960 -0.003 0.000 0.292 51 G C -2.008 172.856 174.900 -0.060 0.000 1.484 51 G CA -0.173 44.880 45.100 -0.079 0.000 0.813 51 G HN 0.369 nan 8.290 nan 0.000 0.515 52 P HA 0.004 nan 4.420 nan 0.000 0.222 52 P C 0.400 177.674 177.300 -0.044 0.000 1.153 52 P CA 0.438 63.507 63.100 -0.052 0.000 0.798 52 P CB 0.521 32.191 31.700 -0.050 0.000 0.796 53 R N 0.343 120.798 120.500 -0.075 0.000 2.404 53 R HA 0.402 4.741 4.340 -0.003 0.000 0.291 53 R C 0.631 176.989 176.300 0.096 0.000 1.025 53 R CA -0.446 55.648 56.100 -0.009 0.000 0.991 53 R CB 0.934 31.226 30.300 -0.015 0.000 1.053 53 R HN 0.020 nan 8.270 nan 0.000 0.479 54 S N 0.583 116.358 115.700 0.125 0.000 2.576 54 S HA -0.019 4.449 4.470 -0.003 0.000 0.272 54 S C 1.589 176.273 174.600 0.140 0.000 1.352 54 S CA -0.597 57.682 58.200 0.132 0.000 1.021 54 S CB 0.849 64.120 63.200 0.118 0.000 0.887 54 S HN 0.489 nan 8.310 nan 0.000 0.542 55 V N 2.207 122.015 119.914 -0.177 0.000 3.078 55 V HA 0.064 4.182 4.120 -0.003 0.000 0.265 55 V C 1.391 177.281 176.094 -0.341 0.000 1.122 55 V CA 1.280 63.333 62.300 -0.412 0.000 1.141 55 V CB -1.281 30.049 31.823 -0.820 0.000 0.735 55 V HN 0.791 nan 8.190 nan 0.000 0.498 56 F N 0.396 120.342 119.950 -0.006 0.000 2.664 56 F HA 0.327 4.852 4.527 -0.003 0.000 0.296 56 F C 1.282 177.092 175.800 0.016 0.000 1.125 56 F CA -0.574 57.419 58.000 -0.011 0.000 1.444 56 F CB -0.329 38.659 39.000 -0.020 0.000 1.114 56 F HN 0.158 nan 8.300 nan 0.000 0.576 57 D N 3.062 123.571 120.400 0.182 0.000 2.450 57 D HA -0.020 4.619 4.640 -0.003 0.000 0.247 57 D C -1.431 174.934 176.300 0.110 0.000 1.162 57 D CA -1.191 52.887 54.000 0.130 0.000 0.879 57 D CB 1.427 42.292 40.800 0.108 0.000 1.163 57 D HN 0.049 nan 8.370 nan 0.000 0.472 58 P HA -0.094 nan 4.420 nan 0.000 0.219 58 P C 0.363 177.704 177.300 0.069 0.000 1.150 58 P CA 0.829 63.973 63.100 0.074 0.000 0.814 58 P CB 0.424 32.159 31.700 0.058 0.000 0.787 59 D N -0.057 120.380 120.400 0.062 0.000 2.363 59 D HA 0.130 4.768 4.640 -0.003 0.000 0.220 59 D C 0.929 177.266 176.300 0.062 0.000 0.994 59 D CA 0.185 54.217 54.000 0.053 0.000 0.890 59 D CB -0.422 40.401 40.800 0.038 0.000 0.906 59 D HN 0.184 nan 8.370 nan 0.000 0.530 60 A N 1.782 124.652 122.820 0.084 0.000 2.445 60 A HA 0.322 4.640 4.320 -0.003 0.000 0.242 60 A C -2.024 175.647 177.584 0.145 0.000 1.075 60 A CA -1.004 51.093 52.037 0.099 0.000 0.777 60 A CB -0.045 19.063 19.000 0.179 0.000 1.013 60 A HN -0.007 nan 8.150 nan 0.000 0.493 61 P HA 0.191 nan 4.420 nan 0.000 0.268 61 P C -0.922 176.605 177.300 0.378 0.000 1.204 61 P CA 0.062 63.313 63.100 0.252 0.000 0.768 61 P CB 0.569 32.438 31.700 0.282 0.000 0.842 62 R N 3.721 124.407 120.500 0.309 0.000 2.637 62 R HA 0.546 4.884 4.340 -0.003 0.000 0.291 62 R C -2.087 174.423 176.300 0.350 0.000 0.963 62 R CA -2.120 54.150 56.100 0.282 0.000 0.901 62 R CB 1.641 32.039 30.300 0.164 0.000 1.160 62 R HN 0.444 nan 8.270 nan 0.000 0.457 63 P HA 0.097 nan 4.420 nan 0.000 0.293 63 P C -0.809 176.640 177.300 0.247 0.000 1.304 63 P CA -0.430 62.897 63.100 0.377 0.000 0.767 63 P CB 0.793 32.777 31.700 0.473 0.000 1.247 64 D N -0.115 120.390 120.400 0.175 0.000 2.313 64 D HA 0.151 4.789 4.640 -0.003 0.000 0.239 64 D C -1.624 174.790 176.300 0.190 0.000 1.142 64 D CA -2.149 51.933 54.000 0.136 0.000 0.847 64 D CB 0.822 41.668 40.800 0.077 0.000 1.082 64 D HN -0.010 nan 8.370 nan 0.000 0.480 65 P HA -0.198 nan 4.420 nan 0.000 0.217 65 P C 1.186 178.648 177.300 0.270 0.000 1.158 65 P CA 1.468 64.739 63.100 0.284 0.000 0.887 65 P CB 0.188 31.977 31.700 0.148 0.000 0.792 66 R N -0.738 119.852 120.500 0.149 0.000 2.154 66 R HA -0.161 4.178 4.340 -0.003 0.000 0.248 66 R C 2.360 178.712 176.300 0.087 0.000 1.155 66 R CA 1.101 57.265 56.100 0.108 0.000 0.979 66 R CB -1.392 28.948 30.300 0.067 0.000 0.869 66 R HN 0.274 nan 8.270 nan 0.000 0.452 67 L N 0.248 121.495 121.223 0.040 0.000 2.187 67 L HA -0.159 4.179 4.340 -0.003 0.000 0.213 67 L C 1.309 178.074 176.870 -0.175 0.000 1.100 67 L CA 1.360 56.139 54.840 -0.101 0.000 0.765 67 L CB -0.066 41.868 42.059 -0.209 0.000 0.904 67 L HN 0.063 nan 8.230 nan 0.000 0.437 68 F N -0.618 119.374 119.950 0.070 0.000 2.811 68 F HA 0.031 4.556 4.527 -0.003 0.000 0.301 68 F C 1.501 177.346 175.800 0.075 0.000 1.151 68 F CA 0.422 58.468 58.000 0.077 0.000 1.412 68 F CB -0.044 38.992 39.000 0.060 0.000 1.113 68 F HN 0.188 nan 8.300 nan 0.000 0.579 69 S N -1.557 114.256 115.700 0.187 0.000 2.327 69 S HA 0.246 4.714 4.470 -0.003 0.000 0.203 69 S C 0.536 175.184 174.600 0.080 0.000 1.326 69 S CA 0.004 58.282 58.200 0.131 0.000 1.248 69 S CB -0.054 63.217 63.200 0.118 0.000 1.199 69 S HN 0.117 nan 8.310 nan 0.000 0.422 70 S N -0.186 115.552 115.700 0.064 0.000 2.559 70 S HA 0.536 5.004 4.470 -0.003 0.000 0.226 70 S C 1.523 176.145 174.600 0.037 0.000 1.030 70 S CA 0.240 58.463 58.200 0.038 0.000 0.956 70 S CB -0.051 63.158 63.200 0.016 0.000 0.900 70 S HN 1.741 nan 8.310 nan 0.000 0.510 71 G N 1.390 110.218 108.800 0.047 0.000 2.148 71 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.254 71 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.254 71 G C -0.158 174.763 174.900 0.035 0.000 0.981 71 G CA 0.400 45.524 45.100 0.039 0.000 0.670 71 G HN 0.542 nan 8.290 nan 0.000 0.528 72 L N 0.619 121.867 121.223 0.042 0.000 2.322 72 L HA 0.455 4.794 4.340 -0.003 0.000 0.279 72 L C -1.896 175.021 176.870 0.078 0.000 1.036 72 L CA -2.286 52.582 54.840 0.046 0.000 0.807 72 L CB 1.648 43.731 42.059 0.040 0.000 1.226 72 L HN -0.133 nan 8.230 nan 0.000 0.433 73 P HA 0.178 nan 4.420 nan 0.000 0.268 73 P C -1.182 176.313 177.300 0.326 0.000 1.204 73 P CA 0.010 63.198 63.100 0.147 0.000 0.768 73 P CB 0.526 32.215 31.700 -0.018 0.000 0.842 74 L N 1.041 122.531 121.223 0.444 0.000 2.415 74 L HA 0.835 5.173 4.340 -0.003 0.000 0.256 74 L C -1.718 175.271 176.870 0.197 0.000 1.010 74 L CA -1.388 53.675 54.840 0.372 0.000 0.826 74 L CB 2.088 44.252 42.059 0.175 0.000 1.405 74 L HN 0.111 nan 8.230 nan 0.000 0.410 75 L N 1.533 122.651 121.223 -0.175 0.000 2.406 75 L HA 0.872 5.210 4.340 -0.003 0.000 0.272 75 L C -0.236 176.548 176.870 -0.144 0.000 0.980 75 L CA 0.103 54.700 54.840 -0.406 0.000 0.831 75 L CB 1.806 43.183 42.059 -1.138 0.000 1.253 75 L HN 0.829 nan 8.230 nan 0.000 0.406 76 G N 5.818 114.594 108.800 -0.040 0.000 2.335 76 G HA2 0.607 4.565 3.960 -0.003 0.000 0.316 76 G HA3 0.607 4.565 3.960 -0.003 0.000 0.316 76 G C -0.853 174.001 174.900 -0.077 0.000 1.129 76 G CA -0.398 44.703 45.100 0.002 0.000 0.899 76 G HN 0.585 nan 8.290 nan 0.000 0.448 77 I N 2.421 122.956 120.570 -0.058 0.000 2.355 77 I HA 0.209 4.377 4.170 -0.003 0.000 0.288 77 I C 0.863 176.916 176.117 -0.106 0.000 0.999 77 I CA -0.380 60.840 61.300 -0.134 0.000 1.163 77 I CB 0.934 38.875 38.000 -0.099 0.000 1.316 77 I HN 0.692 nan 8.210 nan 0.000 0.454 78 C N 4.111 123.308 119.300 -0.171 0.000 2.297 78 C HA -0.386 4.072 4.460 -0.003 0.000 0.129 78 C C 2.071 177.041 174.990 -0.034 0.000 0.960 78 C CA 1.244 60.204 59.018 -0.097 0.000 0.971 78 C CB -1.716 25.974 27.740 -0.082 0.000 3.216 78 C HN 0.870 nan 8.230 nan 0.000 1.035 79 Y N 3.192 123.440 120.300 -0.086 0.000 2.219 79 Y HA 0.003 4.552 4.550 -0.003 0.000 0.283 79 Y C 1.637 177.402 175.900 -0.226 0.000 1.191 79 Y CA 2.320 60.333 58.100 -0.145 0.000 1.199 79 Y CB -0.905 37.496 38.460 -0.099 0.000 0.972 79 Y HN 0.800 nan 8.280 nan 0.000 0.527 83 L N 1.713 122.619 121.223 -0.528 0.000 1.997 83 L HA -0.224 4.114 4.340 -0.003 0.000 0.216 83 L C 2.457 179.027 176.870 -0.499 0.000 1.074 83 L CA 1.793 56.338 54.840 -0.491 0.000 0.763 83 L CB -0.611 41.222 42.059 -0.376 0.000 0.890 83 L HN 0.155 nan 8.230 nan 0.000 0.434 84 L N -0.057 120.961 121.223 -0.341 0.000 2.089 84 L HA -0.256 4.082 4.340 -0.003 0.000 0.213 84 L C 2.572 179.134 176.870 -0.514 0.000 1.079 84 L CA 2.139 56.778 54.840 -0.335 0.000 0.758 84 L CB -0.744 41.289 42.059 -0.045 0.000 0.891 84 L HN 0.235 nan 8.230 nan 0.000 0.433 85 A N -0.709 121.837 122.820 -0.456 0.000 1.841 85 A HA -0.251 4.067 4.320 -0.003 0.000 0.214 85 A C 2.123 179.452 177.584 -0.427 0.000 1.195 85 A CA 1.717 53.474 52.037 -0.466 0.000 0.611 85 A CB -0.706 18.089 19.000 -0.342 0.000 0.835 85 A HN 0.702 nan 8.150 nan 0.000 0.443 86 Q N -1.156 118.416 119.800 -0.380 0.000 2.083 86 Q HA -0.099 4.239 4.340 -0.003 0.000 0.198 86 Q C 1.360 177.179 176.000 -0.302 0.000 0.969 86 Q CA 1.189 56.814 55.803 -0.298 0.000 0.838 86 Q CB -0.477 28.105 28.738 -0.261 0.000 0.900 86 Q HN 0.526 nan 8.270 nan 0.000 0.436 87 E N 0.868 120.825 120.200 -0.405 0.000 2.396 87 E HA -0.087 4.261 4.350 -0.003 0.000 0.200 87 E C 1.143 177.511 176.600 -0.387 0.000 1.023 87 E CA 0.820 56.955 56.400 -0.441 0.000 0.857 87 E CB 0.134 29.365 29.700 -0.782 0.000 0.775 87 E HN 0.509 nan 8.360 nan 0.000 0.525 88 L N -1.253 119.742 121.223 -0.380 0.000 3.267 88 L HA 0.310 4.648 4.340 -0.003 0.000 0.289 88 L C 1.127 177.839 176.870 -0.264 0.000 1.260 88 L CA 0.159 54.821 54.840 -0.296 0.000 1.034 88 L CB 0.800 42.654 42.059 -0.341 0.000 1.413 88 L HN 0.131 nan 8.230 nan 0.000 0.594 89 G N -0.186 108.476 108.800 -0.230 0.000 2.254 89 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.225 89 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.225 89 G C 0.696 175.480 174.900 -0.194 0.000 1.003 89 G CA -0.273 44.720 45.100 -0.178 0.000 0.622 89 G HN 0.509 nan 8.290 nan 0.000 0.507 90 G N -0.166 108.467 108.800 -0.278 0.000 2.712 90 G HA2 0.452 4.410 3.960 -0.003 0.000 0.258 90 G HA3 0.452 4.410 3.960 -0.003 0.000 0.258 90 G C 0.083 174.876 174.900 -0.179 0.000 1.241 90 G CA 0.439 45.389 45.100 -0.251 0.000 0.923 90 G HN 0.680 nan 8.290 nan 0.000 0.548 91 R N -1.334 119.083 120.500 -0.137 0.000 2.599 91 R HA 0.543 4.881 4.340 -0.003 0.000 0.295 91 R C -1.056 175.201 176.300 -0.070 0.000 0.963 91 R CA -0.611 55.439 56.100 -0.083 0.000 0.883 91 R CB 1.864 32.133 30.300 -0.052 0.000 1.171 91 R HN 0.558 nan 8.270 nan 0.000 0.450 92 V N 0.314 120.214 119.914 -0.023 0.000 2.638 92 V HA 0.623 4.741 4.120 -0.003 0.000 0.306 92 V C -0.833 175.423 176.094 0.270 0.000 1.052 92 V CA -0.824 61.475 62.300 -0.002 0.000 0.885 92 V CB 1.600 33.309 31.823 -0.191 0.000 0.999 92 V HN 0.952 nan 8.190 nan 0.000 0.424 93 E N 3.280 123.631 120.200 0.251 0.000 2.336 93 E HA 0.530 4.879 4.350 -0.003 0.000 0.267 93 E C -0.696 176.123 176.600 0.365 0.000 0.906 93 E CA -1.156 55.431 56.400 0.312 0.000 0.781 93 E CB 2.109 31.858 29.700 0.081 0.000 1.261 93 E HN 0.719 nan 8.360 nan 0.000 0.436 94 R N 0.509 121.176 120.500 0.278 0.000 2.734 94 R HA 0.457 4.796 4.340 -0.003 0.000 0.266 94 R C -0.639 175.718 176.300 0.094 0.000 1.044 94 R CA 0.540 56.768 56.100 0.214 0.000 1.128 94 R CB 0.773 31.094 30.300 0.035 0.000 1.010 94 R HN 0.590 nan 8.270 nan 0.000 0.461 95 A N 0.112 122.977 122.820 0.074 0.000 2.590 95 A HA 0.509 4.828 4.320 -0.003 0.000 0.294 95 A C 0.105 177.699 177.584 0.016 0.000 1.046 95 A CA -0.152 51.902 52.037 0.027 0.000 0.684 95 A CB 0.703 19.716 19.000 0.022 0.000 1.279 95 A HN 0.857 nan 8.150 nan 0.000 0.415 96 G N 0.784 109.575 108.800 -0.015 0.000 2.549 96 G HA2 -0.103 3.856 3.960 -0.003 0.000 0.338 96 G HA3 -0.103 3.856 3.960 -0.003 0.000 0.338 96 G C 0.012 174.910 174.900 -0.002 0.000 1.342 96 G CA 0.913 45.997 45.100 -0.027 0.000 0.935 96 G HN 1.229 nan 8.290 nan 0.000 0.534 97 R N -0.787 119.715 120.500 0.004 0.000 2.795 97 R HA 0.619 4.957 4.340 -0.003 0.000 0.275 97 R C 0.128 176.416 176.300 -0.019 0.000 0.981 97 R CA -0.442 55.657 56.100 -0.002 0.000 0.917 97 R CB 1.879 32.174 30.300 -0.008 0.000 1.202 97 R HN 1.126 nan 8.270 nan 0.000 0.469 98 A N 2.659 125.452 122.820 -0.045 0.000 2.526 98 A HA 0.050 4.369 4.320 -0.003 0.000 0.287 98 A C -0.018 177.448 177.584 -0.197 0.000 1.232 98 A CA 0.706 52.676 52.037 -0.112 0.000 0.900 98 A CB -0.657 18.289 19.000 -0.090 0.000 1.077 98 A HN 0.771 nan 8.150 nan 0.000 0.535 99 E N 1.525 121.543 120.200 -0.304 0.000 2.416 99 E HA 0.593 4.942 4.350 -0.003 0.000 0.280 99 E C -1.649 174.558 176.600 -0.655 0.000 1.055 99 E CA -0.905 55.256 56.400 -0.399 0.000 0.825 99 E CB 0.699 30.322 29.700 -0.129 0.000 1.312 99 E HN 0.383 nan 8.360 nan 0.000 0.452 100 Y N -0.199 119.847 120.300 -0.423 0.000 2.596 100 Y HA 0.843 5.392 4.550 -0.003 0.000 0.326 100 Y C 0.647 175.858 175.900 -1.148 0.000 1.167 100 Y CA -0.396 57.131 58.100 -0.955 0.000 1.246 100 Y CB 2.429 40.031 38.460 -1.430 0.000 1.347 100 Y HN 0.781 nan 8.280 nan 0.000 0.515 101 G N 0.587 108.670 108.800 -1.195 0.000 2.691 101 G HA2 0.365 4.323 3.960 -0.003 0.000 0.298 101 G HA3 0.365 4.323 3.960 -0.003 0.000 0.298 101 G C -2.047 172.670 174.900 -0.304 0.000 1.471 101 G CA -1.259 43.450 45.100 -0.652 0.000 0.912 101 G HN 0.389 nan 8.290 nan 0.000 0.553 102 K N 0.228 120.637 120.400 0.014 0.000 2.298 102 K HA 0.647 4.965 4.320 -0.003 0.000 0.280 102 K C 0.103 176.754 176.600 0.085 0.000 1.032 102 K CA 0.135 56.517 56.287 0.158 0.000 0.958 102 K CB 1.560 34.159 32.500 0.164 0.000 0.978 102 K HN 0.828 nan 8.250 nan 0.000 0.472 103 A N 3.180 126.044 122.820 0.074 0.000 2.594 103 A HA 0.493 4.812 4.320 -0.003 0.000 0.295 103 A C -1.322 176.270 177.584 0.013 0.000 1.071 103 A CA -0.840 51.229 52.037 0.054 0.000 0.685 103 A CB 0.995 20.044 19.000 0.082 0.000 1.285 103 A HN 0.596 nan 8.150 nan 0.000 0.405 104 L N 1.634 122.861 121.223 0.006 0.000 2.312 104 L HA 0.411 4.749 4.340 -0.003 0.000 0.281 104 L C -0.465 176.393 176.870 -0.019 0.000 1.070 104 L CA -0.564 54.262 54.840 -0.022 0.000 0.805 104 L CB 1.286 43.340 42.059 -0.008 0.000 1.174 104 L HN 0.615 nan 8.230 nan 0.000 0.434 105 L N 2.750 123.937 121.223 -0.059 0.000 2.369 105 L HA 0.096 4.434 4.340 -0.003 0.000 0.279 105 L C 1.411 178.316 176.870 0.057 0.000 1.108 105 L CA -0.215 54.613 54.840 -0.021 0.000 0.852 105 L CB 1.177 43.170 42.059 -0.109 0.000 1.169 105 L HN 0.760 nan 8.230 nan 0.000 0.452 106 T N 0.313 114.894 114.554 0.045 0.000 3.035 106 T HA -0.038 4.310 4.350 -0.003 0.000 0.268 106 T C 0.753 175.461 174.700 0.014 0.000 1.109 106 T CA 0.396 62.517 62.100 0.035 0.000 1.119 106 T CB 0.037 68.915 68.868 0.017 0.000 0.900 106 T HN 0.579 nan 8.240 nan 0.000 0.503 107 R N 1.066 121.575 120.500 0.015 0.000 2.604 107 R HA 0.324 4.662 4.340 -0.003 0.000 0.261 107 R C -1.952 174.244 176.300 -0.173 0.000 1.080 107 R CA -0.789 55.228 56.100 -0.138 0.000 0.917 107 R CB 1.077 31.312 30.300 -0.108 0.000 1.252 107 R HN 0.530 nan 8.270 nan 0.000 0.456 108 H N 2.317 121.202 119.070 -0.307 0.000 3.275 108 H HA 0.292 4.846 4.556 -0.003 0.000 0.326 108 H C -1.513 173.655 175.328 -0.266 0.000 1.096 108 H CA -0.911 54.734 56.048 -0.672 0.000 1.579 108 H CB 1.114 30.320 29.762 -0.926 0.000 1.834 108 H HN 0.795 nan 8.280 nan 0.000 0.510 109 E N 2.303 122.482 120.200 -0.036 0.000 2.312 109 E HA 0.696 5.044 4.350 -0.003 0.000 0.267 109 E C -0.240 176.568 176.600 0.346 0.000 0.894 109 E CA -1.208 55.275 56.400 0.138 0.000 0.773 109 E CB 3.112 32.839 29.700 0.045 0.000 1.241 109 E HN 0.856 nan 8.360 nan 0.000 0.432 110 G N 1.744 110.705 108.800 0.268 0.000 2.497 110 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.686 110 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.686 110 G C -2.306 172.719 174.900 0.209 0.000 1.288 110 G CA -0.396 44.858 45.100 0.257 0.000 0.899 110 G HN 0.455 nan 8.290 nan 0.000 0.608 111 P HA -0.006 nan 4.420 nan 0.000 0.228 111 P C 1.824 179.093 177.300 -0.052 0.000 1.151 111 P CA 0.733 63.870 63.100 0.061 0.000 0.770 111 P CB 0.250 31.991 31.700 0.069 0.000 0.786 112 L N -1.666 119.475 121.223 -0.136 0.000 2.341 112 L HA 0.164 4.502 4.340 -0.003 0.000 0.214 112 L C 1.260 177.809 176.870 -0.535 0.000 1.115 112 L CA 1.387 55.947 54.840 -0.466 0.000 0.820 112 L CB -0.652 40.985 42.059 -0.703 0.000 0.944 112 L HN -0.245 nan 8.230 nan 0.000 0.452 113 F N -0.499 119.494 119.950 0.072 0.000 2.772 113 F HA 0.361 4.887 4.527 -0.003 0.000 0.302 113 F C 0.892 176.746 175.800 0.089 0.000 1.136 113 F CA -0.600 57.463 58.000 0.105 0.000 1.322 113 F CB -0.285 38.827 39.000 0.188 0.000 0.967 113 F HN -0.152 nan 8.300 nan 0.000 0.513 114 R N 0.682 121.264 120.500 0.137 0.000 2.404 114 R HA 0.361 4.699 4.340 -0.003 0.000 0.315 114 R C 1.283 177.634 176.300 0.085 0.000 1.032 114 R CA 1.274 57.435 56.100 0.100 0.000 0.992 114 R CB -0.121 30.207 30.300 0.047 0.000 0.959 114 R HN 0.565 nan 8.270 nan 0.000 0.428 115 G N 3.563 112.419 108.800 0.093 0.000 2.241 115 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.244 115 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.244 115 G C -0.119 174.828 174.900 0.079 0.000 0.998 115 G CA 0.022 45.164 45.100 0.069 0.000 0.621 115 G HN 0.518 nan 8.290 nan 0.000 0.519 116 L N 2.612 123.907 121.223 0.120 0.000 2.399 116 L HA 0.491 4.829 4.340 -0.003 0.000 0.257 116 L C 0.768 177.703 176.870 0.107 0.000 1.236 116 L CA 0.157 55.054 54.840 0.094 0.000 1.144 116 L CB 0.326 42.458 42.059 0.122 0.000 1.379 116 L HN 0.346 nan 8.230 nan 0.000 0.414 117 E N 0.374 120.627 120.200 0.089 0.000 2.504 117 E HA 0.739 5.088 4.350 -0.003 0.000 0.253 117 E C 0.836 177.477 176.600 0.069 0.000 1.151 117 E CA -0.197 56.273 56.400 0.116 0.000 0.972 117 E CB 0.710 30.460 29.700 0.084 0.000 1.247 117 E HN 0.454 nan 8.360 nan 0.000 0.519 118 G N 0.973 109.823 108.800 0.083 0.000 2.552 118 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.265 118 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.265 118 G C -0.489 174.428 174.900 0.028 0.000 1.234 118 G CA 0.334 45.461 45.100 0.045 0.000 0.944 118 G HN 0.701 nan 8.290 nan 0.000 0.568 119 E N -1.122 119.070 120.200 -0.013 0.000 2.313 119 E HA 0.579 4.927 4.350 -0.003 0.000 0.272 119 E C -0.566 175.958 176.600 -0.127 0.000 1.038 119 E CA -0.949 55.421 56.400 -0.050 0.000 0.863 119 E CB 1.915 31.598 29.700 -0.028 0.000 1.060 119 E HN 0.670 nan 8.360 nan 0.000 0.402 120 V N 2.845 122.635 119.914 -0.206 0.000 2.357 120 V HA 0.144 4.263 4.120 -0.003 0.000 0.281 120 V C -0.354 175.622 176.094 -0.196 0.000 1.015 120 V CA -0.739 61.410 62.300 -0.251 0.000 0.827 120 V CB 0.895 32.447 31.823 -0.450 0.000 1.018 120 V HN 0.764 nan 8.190 nan 0.000 0.432 121 Q N 4.093 123.814 119.800 -0.132 0.000 2.267 121 Q HA 0.685 5.023 4.340 -0.003 0.000 0.255 121 Q C -0.733 175.193 176.000 -0.123 0.000 0.923 121 Q CA -0.378 55.372 55.803 -0.089 0.000 0.925 121 Q CB 1.944 30.665 28.738 -0.028 0.000 1.195 121 Q HN 0.763 nan 8.270 nan 0.000 0.417 122 V N 1.009 120.851 119.914 -0.120 0.000 3.074 122 V HA 0.628 4.747 4.120 -0.003 0.000 0.314 122 V C -0.756 175.440 176.094 0.170 0.000 1.117 122 V CA -1.113 61.101 62.300 -0.144 0.000 1.014 122 V CB 1.738 33.168 31.823 -0.655 0.000 1.057 122 V HN 0.974 nan 8.190 nan 0.000 0.438 126 H N 1.995 121.005 119.070 -0.101 0.000 2.529 126 H HA 0.280 4.834 4.556 -0.003 0.000 0.277 126 H C 0.732 176.024 175.328 -0.061 0.000 1.004 126 H CA -0.115 55.887 56.048 -0.077 0.000 1.167 126 H CB 0.535 30.237 29.762 -0.099 0.000 1.445 126 H HN 0.502 nan 8.280 nan 0.000 0.554 127 Q N 2.515 122.342 119.800 0.045 0.000 2.369 127 Q HA 0.036 4.374 4.340 -0.003 0.000 0.247 127 Q C -0.723 175.295 176.000 0.030 0.000 1.083 127 Q CA -0.331 55.487 55.803 0.026 0.000 0.905 127 Q CB 0.074 28.814 28.738 0.004 0.000 1.305 127 Q HN 0.367 nan 8.270 nan 0.000 0.465 128 D N 1.068 121.494 120.400 0.043 0.000 3.856 128 D HA -0.213 4.425 4.640 -0.003 0.000 0.276 128 D C -1.092 175.220 176.300 0.019 0.000 2.073 128 D CA 1.038 55.065 54.000 0.045 0.000 1.163 128 D CB -0.770 40.026 40.800 -0.007 0.000 0.937 128 D HN 0.737 nan 8.370 nan 0.000 1.140 129 A N -0.929 121.891 122.820 -0.001 0.000 2.580 129 A HA 0.479 4.797 4.320 -0.003 0.000 0.301 129 A C -1.104 176.465 177.584 -0.026 0.000 1.054 129 A CA -0.427 51.608 52.037 -0.005 0.000 0.751 129 A CB 1.171 20.180 19.000 0.015 0.000 1.275 129 A HN 0.473 nan 8.150 nan 0.000 0.403 130 V N 2.895 122.784 119.914 -0.042 0.000 2.408 130 V HA 0.373 4.492 4.120 -0.003 0.000 0.267 130 V C 1.466 177.541 176.094 -0.033 0.000 1.047 130 V CA 0.776 63.039 62.300 -0.062 0.000 0.937 130 V CB 0.731 32.504 31.823 -0.084 0.000 0.999 130 V HN 1.205 nan 8.190 nan 0.000 0.472 131 T N 1.186 115.721 114.554 -0.030 0.000 3.037 131 T HA 0.450 4.798 4.350 -0.003 0.000 0.251 131 T C 0.538 175.222 174.700 -0.026 0.000 1.079 131 T CA 0.535 62.623 62.100 -0.019 0.000 1.067 131 T CB 0.454 69.315 68.868 -0.012 0.000 0.948 131 T HN 0.865 nan 8.240 nan 0.000 0.496 132 A N 2.489 125.280 122.820 -0.049 0.000 2.429 132 A HA 0.703 5.022 4.320 -0.003 0.000 0.289 132 A C -3.088 174.436 177.584 -0.101 0.000 1.043 132 A CA -1.755 50.248 52.037 -0.056 0.000 0.722 132 A CB 1.604 20.572 19.000 -0.054 0.000 1.243 132 A HN 0.087 nan 8.150 nan 0.000 0.415 133 P HA 0.378 nan 4.420 nan 0.000 0.274 133 P C -2.747 174.392 177.300 -0.269 0.000 1.246 133 P CA -1.345 61.656 63.100 -0.164 0.000 0.795 133 P CB -0.190 31.503 31.700 -0.012 0.000 1.006 134 P HA 0.161 nan 4.420 nan 0.000 0.267 134 P C -2.301 174.845 177.300 -0.257 0.000 1.200 134 P CA -0.796 61.948 63.100 -0.594 0.000 0.772 134 P CB -1.263 29.698 31.700 -1.231 0.000 0.855 135 P HA 0.036 nan 4.420 nan 0.000 0.262 135 P C 0.936 178.334 177.300 0.163 0.000 1.199 135 P CA 1.524 64.639 63.100 0.025 0.000 0.763 135 P CB -0.098 31.606 31.700 0.006 0.000 0.790 136 G N 1.133 110.041 108.800 0.181 0.000 2.232 136 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.226 136 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.226 136 G C -0.303 174.756 174.900 0.265 0.000 0.996 136 G CA -0.740 44.483 45.100 0.205 0.000 0.626 136 G HN 0.314 nan 8.290 nan 0.000 0.509 137 W N 1.293 122.579 121.300 -0.024 0.000 2.183 137 W HA 0.785 5.444 4.660 -0.003 0.000 0.348 137 W C 0.983 177.497 176.519 -0.009 0.000 1.257 137 W CA -0.625 56.704 57.345 -0.027 0.000 1.324 137 W CB 0.392 29.830 29.460 -0.037 0.000 1.144 137 W HN 0.060 nan 8.180 nan 0.000 0.622 138 R N 0.891 121.516 120.500 0.208 0.000 2.437 138 R HA 0.444 4.782 4.340 -0.003 0.000 0.310 138 R C -1.202 175.202 176.300 0.172 0.000 0.955 138 R CA -1.035 55.152 56.100 0.145 0.000 0.851 138 R CB 1.590 31.943 30.300 0.089 0.000 1.161 138 R HN 0.119 nan 8.270 nan 0.000 0.446 139 V N 4.678 124.679 119.914 0.144 0.000 2.364 139 V HA -0.022 4.096 4.120 -0.003 0.000 0.252 139 V C 1.296 177.477 176.094 0.144 0.000 1.075 139 V CA 0.102 62.489 62.300 0.144 0.000 1.033 139 V CB 0.689 32.572 31.823 0.100 0.000 1.116 139 V HN 0.707 nan 8.190 nan 0.000 0.488 140 V N 2.061 122.100 119.914 0.208 0.000 3.577 140 V HA 0.727 4.845 4.120 -0.003 0.000 0.294 140 V C 0.622 176.819 176.094 0.172 0.000 1.317 140 V CA 0.557 62.992 62.300 0.224 0.000 1.169 140 V CB -0.399 31.637 31.823 0.355 0.000 1.011 140 V HN 0.799 nan 8.190 nan 0.000 0.426 141 A N -0.351 122.551 122.820 0.137 0.000 2.566 141 A HA 0.813 5.131 4.320 -0.003 0.000 0.297 141 A C -0.786 176.848 177.584 0.082 0.000 1.059 141 A CA -0.616 51.445 52.037 0.040 0.000 0.691 141 A CB 1.660 20.744 19.000 0.140 0.000 1.282 141 A HN 0.440 nan 8.150 nan 0.000 0.401 142 E N -0.279 119.948 120.200 0.045 0.000 2.446 142 E HA 0.757 5.105 4.350 -0.003 0.000 0.276 142 E C -0.965 175.670 176.600 0.059 0.000 0.969 142 E CA -0.755 55.680 56.400 0.059 0.000 0.800 142 E CB 2.521 32.240 29.700 0.033 0.000 1.341 142 E HN 0.615 nan 8.360 nan 0.000 0.460 143 T N -0.485 114.105 114.554 0.060 0.000 2.804 143 T HA 0.141 4.490 4.350 -0.003 0.000 0.290 143 T C 0.427 175.149 174.700 0.038 0.000 1.099 143 T CA -0.358 61.774 62.100 0.054 0.000 1.011 143 T CB 1.608 70.524 68.868 0.079 0.000 1.291 143 T HN 0.528 nan 8.240 nan 0.000 0.523 144 E N 0.920 121.139 120.200 0.031 0.000 2.013 144 E HA -0.133 4.215 4.350 -0.003 0.000 0.202 144 E C 1.480 178.088 176.600 0.014 0.000 1.018 144 E CA 2.177 58.589 56.400 0.020 0.000 0.834 144 E CB -0.094 29.616 29.700 0.017 0.000 0.770 144 E HN 0.594 nan 8.360 nan 0.000 0.459 145 E N -0.119 120.088 120.200 0.012 0.000 2.435 145 E HA 0.084 4.432 4.350 -0.003 0.000 0.195 145 E C -0.176 176.427 176.600 0.004 0.000 1.029 145 E CA 0.232 56.629 56.400 -0.004 0.000 0.865 145 E CB 0.082 29.763 29.700 -0.031 0.000 0.833 145 E HN 0.050 nan 8.360 nan 0.000 0.510 146 N N 0.037 118.753 118.700 0.028 0.000 2.524 146 N HA 0.151 4.889 4.740 -0.003 0.000 0.261 146 N C -2.348 173.189 175.510 0.045 0.000 0.998 146 N CA -2.049 51.024 53.050 0.038 0.000 0.915 146 N CB 1.572 40.097 38.487 0.064 0.000 1.187 146 N HN -0.239 nan 8.380 nan 0.000 0.507 147 P HA -0.052 nan 4.420 nan 0.000 0.222 147 P C -0.158 177.170 177.300 0.046 0.000 1.147 147 P CA 0.934 64.053 63.100 0.033 0.000 0.790 147 P CB 0.438 32.150 31.700 0.021 0.000 0.780 148 V N -0.861 119.084 119.914 0.052 0.000 2.276 148 V HA 0.432 4.550 4.120 -0.003 0.000 0.268 148 V C 1.028 177.176 176.094 0.090 0.000 1.032 148 V CA -0.212 62.127 62.300 0.065 0.000 0.810 148 V CB 0.338 32.185 31.823 0.040 0.000 1.060 148 V HN -0.032 nan 8.190 nan 0.000 0.446 149 A N 2.805 125.705 122.820 0.133 0.000 1.935 149 A HA 0.733 5.051 4.320 -0.003 0.000 0.214 149 A C 1.155 178.859 177.584 0.201 0.000 1.178 149 A CA 1.092 53.249 52.037 0.201 0.000 0.640 149 A CB 0.237 19.401 19.000 0.273 0.000 0.825 149 A HN 1.097 nan 8.150 nan 0.000 0.447 150 A N -0.576 122.380 122.820 0.227 0.000 2.549 150 A HA 0.665 4.984 4.320 -0.003 0.000 0.297 150 A C -0.753 176.983 177.584 0.252 0.000 1.061 150 A CA -0.430 51.755 52.037 0.246 0.000 0.690 150 A CB 0.821 20.105 19.000 0.472 0.000 1.287 150 A HN 0.852 nan 8.150 nan 0.000 0.402 151 I N -1.418 119.308 120.570 0.259 0.000 2.730 151 I HA 0.942 5.110 4.170 -0.003 0.000 0.298 151 I C -0.236 176.079 176.117 0.331 0.000 1.089 151 I CA -1.068 60.421 61.300 0.315 0.000 1.041 151 I CB 2.335 40.535 38.000 0.333 0.000 1.235 151 I HN 0.859 nan 8.210 nan 0.000 0.423 152 A N 3.212 126.150 122.820 0.198 0.000 2.393 152 A HA 0.745 5.063 4.320 -0.003 0.000 0.306 152 A C -0.149 177.031 177.584 -0.673 0.000 1.050 152 A CA -0.460 51.411 52.037 -0.276 0.000 0.724 152 A CB 1.536 20.436 19.000 -0.167 0.000 1.248 152 A HN 0.977 nan 8.150 nan 0.000 0.424 153 S N 2.597 117.435 115.700 -1.436 0.000 2.593 153 S HA 0.395 4.863 4.470 -0.003 0.000 0.269 153 S C -1.306 172.799 174.600 -0.826 0.000 1.334 153 S CA -0.372 56.732 58.200 -1.827 0.000 1.015 153 S CB 0.581 62.834 63.200 -1.577 0.000 0.912 153 S HN 0.548 nan 8.310 nan 0.000 0.541 154 P HA -0.076 nan 4.420 nan 0.000 0.223 154 P C 0.543 177.714 177.300 -0.215 0.000 1.151 154 P CA 1.096 64.037 63.100 -0.263 0.000 0.787 154 P CB -0.142 31.473 31.700 -0.143 0.000 0.788 155 D N -1.025 119.221 120.400 -0.256 0.000 2.340 155 D HA 0.029 4.667 4.640 -0.003 0.000 0.220 155 D C 1.262 177.459 176.300 -0.170 0.000 1.039 155 D CA 0.510 54.410 54.000 -0.168 0.000 0.866 155 D CB -0.885 39.836 40.800 -0.132 0.000 0.913 155 D HN 0.170 nan 8.370 nan 0.000 0.523 156 G N 1.672 110.308 108.800 -0.274 0.000 2.305 156 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.287 156 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.287 156 G C 0.767 175.607 174.900 -0.101 0.000 1.036 156 G CA 0.349 45.317 45.100 -0.220 0.000 0.887 156 G HN 0.448 nan 8.290 nan 0.000 0.505 157 R N -0.941 119.445 120.500 -0.190 0.000 2.521 157 R HA 0.530 4.868 4.340 -0.003 0.000 0.289 157 R C 0.836 177.174 176.300 0.063 0.000 0.936 157 R CA 0.604 56.703 56.100 -0.002 0.000 1.089 157 R CB 0.974 31.261 30.300 -0.022 0.000 1.348 157 R HN 0.676 nan 8.270 nan 0.000 0.536 158 A N 0.468 123.146 122.820 -0.236 0.000 2.414 158 A HA 0.759 5.077 4.320 -0.003 0.000 0.306 158 A C -1.550 175.784 177.584 -0.418 0.000 1.054 158 A CA -0.453 51.521 52.037 -0.104 0.000 0.724 158 A CB 1.020 19.962 19.000 -0.096 0.000 1.267 158 A HN 0.133 nan 8.150 nan 0.000 0.418 159 Y N -0.270 120.072 120.300 0.070 0.000 2.597 159 Y HA 0.650 5.198 4.550 -0.003 0.000 0.340 159 Y C 0.551 176.485 175.900 0.056 0.000 1.097 159 Y CA -0.394 57.736 58.100 0.050 0.000 1.037 159 Y CB 2.798 41.246 38.460 -0.020 0.000 1.305 159 Y HN 0.996 nan 8.280 nan 0.000 0.463 160 G N 0.574 109.518 108.800 0.240 0.000 2.638 160 G HA2 0.629 4.588 3.960 -0.003 0.000 0.302 160 G HA3 0.629 4.588 3.960 -0.003 0.000 0.302 160 G C -1.806 173.080 174.900 -0.025 0.000 1.365 160 G CA -0.937 44.214 45.100 0.085 0.000 0.987 160 G HN 0.838 nan 8.290 nan 0.000 0.495 161 V N -0.096 119.692 119.914 -0.210 0.000 2.841 161 V HA 0.644 4.763 4.120 -0.003 0.000 0.310 161 V C 0.204 176.034 176.094 -0.440 0.000 1.090 161 V CA -0.981 61.028 62.300 -0.486 0.000 0.930 161 V CB 1.990 33.181 31.823 -1.053 0.000 1.014 161 V HN 0.628 nan 8.190 nan 0.000 0.425 162 Q N 2.611 122.219 119.800 -0.321 0.000 2.280 162 Q HA 0.376 4.714 4.340 -0.003 0.000 0.202 162 Q C -0.291 175.698 176.000 -0.018 0.000 0.903 162 Q CA 0.290 56.029 55.803 -0.106 0.000 0.948 162 Q CB -0.259 28.503 28.738 0.040 0.000 1.058 162 Q HN 0.852 nan 8.270 nan 0.000 0.493 163 F N -2.732 117.227 119.950 0.015 0.000 2.611 163 F HA 0.551 5.076 4.527 -0.003 0.000 0.324 163 F C -0.366 175.412 175.800 -0.036 0.000 1.061 163 F CA -1.387 56.639 58.000 0.044 0.000 0.954 163 F CB 0.784 39.859 39.000 0.126 0.000 1.301 163 F HN -0.178 nan 8.300 nan 0.000 0.482 164 H N 2.642 121.985 119.070 0.454 0.000 2.787 164 H HA 0.213 4.768 4.556 -0.003 0.000 0.275 164 H C -1.903 173.586 175.328 0.269 0.000 1.183 164 H CA -1.451 54.766 56.048 0.282 0.000 1.290 164 H CB 1.169 31.056 29.762 0.208 0.000 1.438 164 H HN 0.443 nan 8.280 nan 0.000 0.487 165 P HA -0.106 nan 4.420 nan 0.000 0.233 165 P C 1.067 178.416 177.300 0.082 0.000 1.167 165 P CA 0.712 63.961 63.100 0.248 0.000 0.770 165 P CB 0.452 32.287 31.700 0.224 0.000 0.837 166 E N 0.691 120.919 120.200 0.047 0.000 2.442 166 E HA 0.022 4.370 4.350 -0.003 0.000 0.195 166 E C 0.799 177.290 176.600 -0.181 0.000 1.030 166 E CA 0.244 56.616 56.400 -0.047 0.000 0.869 166 E CB -0.634 29.059 29.700 -0.011 0.000 0.857 166 E HN 0.145 nan 8.360 nan 0.000 0.505 167 V N -2.236 117.519 119.914 -0.266 0.000 2.612 167 V HA 0.669 4.787 4.120 -0.003 0.000 0.301 167 V C 1.501 177.359 176.094 -0.394 0.000 1.046 167 V CA -0.289 61.727 62.300 -0.473 0.000 0.946 167 V CB 1.408 32.719 31.823 -0.854 0.000 1.003 167 V HN 0.034 nan 8.190 nan 0.000 0.459 168 A N 1.710 124.251 122.820 -0.464 0.000 1.997 168 A HA -0.216 4.102 4.320 -0.003 0.000 0.221 168 A C 1.735 179.087 177.584 -0.386 0.000 1.172 168 A CA 2.119 53.910 52.037 -0.410 0.000 0.645 168 A CB -1.172 17.548 19.000 -0.467 0.000 0.813 168 A HN 1.046 nan 8.150 nan 0.000 0.454 169 H N -0.398 118.397 119.070 -0.457 0.000 2.561 169 H HA 0.009 4.563 4.556 -0.003 0.000 0.278 169 H C -0.004 175.229 175.328 -0.160 0.000 1.014 169 H CA 1.343 57.150 56.048 -0.402 0.000 1.211 169 H CB -0.277 28.976 29.762 -0.847 0.000 1.365 169 H HN 0.338 nan 8.280 nan 0.000 0.594 170 T N 2.123 116.649 114.554 -0.046 0.000 3.378 170 T HA 0.153 4.502 4.350 -0.003 0.000 0.359 170 T C -1.701 172.962 174.700 -0.062 0.000 1.815 170 T CA -1.295 60.795 62.100 -0.017 0.000 1.509 170 T CB 1.502 70.398 68.868 0.047 0.000 1.049 170 T HN 0.073 nan 8.240 nan 0.000 0.705 171 P HA -0.187 nan 4.420 nan 0.000 0.219 171 P C 0.936 178.199 177.300 -0.061 0.000 1.158 171 P CA 1.413 64.469 63.100 -0.073 0.000 0.895 171 P CB 0.148 31.812 31.700 -0.059 0.000 0.792 172 K N -0.812 119.555 120.400 -0.054 0.000 2.410 172 K HA 0.221 4.540 4.320 -0.003 0.000 0.200 172 K C 1.292 177.883 176.600 -0.015 0.000 1.023 172 K CA -0.255 56.011 56.287 -0.035 0.000 1.149 172 K CB -0.051 32.428 32.500 -0.035 0.000 0.859 172 K HN 0.125 nan 8.250 nan 0.000 0.514 176 I N 1.080 121.645 120.570 -0.008 0.000 2.202 176 I HA -0.188 3.980 4.170 -0.003 0.000 0.242 176 I C 1.865 177.962 176.117 -0.032 0.000 1.091 176 I CA 1.234 62.502 61.300 -0.053 0.000 1.368 176 I CB -0.166 37.824 38.000 -0.016 0.000 1.058 176 I HN 0.190 nan 8.210 nan 0.000 0.410 177 L N 0.373 121.602 121.223 0.010 0.000 2.083 177 L HA -0.223 4.115 4.340 -0.003 0.000 0.209 177 L C 2.588 179.507 176.870 0.081 0.000 1.083 177 L CA 1.195 56.069 54.840 0.057 0.000 0.752 177 L CB -0.477 41.608 42.059 0.043 0.000 0.899 177 L HN 0.257 nan 8.230 nan 0.000 0.433 178 E N 0.496 120.715 120.200 0.032 0.000 2.072 178 E HA -0.188 4.160 4.350 -0.003 0.000 0.191 178 E C 1.908 178.506 176.600 -0.004 0.000 0.985 178 E CA 1.316 57.727 56.400 0.017 0.000 0.801 178 E CB -0.085 29.619 29.700 0.007 0.000 0.750 178 E HN 0.314 nan 8.360 nan 0.000 0.452 179 N N -0.171 118.516 118.700 -0.020 0.000 2.120 179 N HA -0.153 4.585 4.740 -0.003 0.000 0.188 179 N C 1.604 177.067 175.510 -0.078 0.000 1.024 179 N CA 1.182 54.197 53.050 -0.059 0.000 0.852 179 N CB -0.549 37.879 38.487 -0.098 0.000 1.003 179 N HN 0.260 nan 8.380 nan 0.000 0.424 180 F N 1.690 121.518 119.950 -0.203 0.000 2.186 180 F HA 0.014 4.540 4.527 -0.003 0.000 0.299 180 F C 2.006 177.746 175.800 -0.100 0.000 1.090 180 F CA 0.857 58.726 58.000 -0.217 0.000 1.307 180 F CB -0.280 38.598 39.000 -0.204 0.000 1.019 180 F HN -0.071 nan 8.300 nan 0.000 0.489 181 L N -0.150 120.962 121.223 -0.184 0.000 2.093 181 L HA -0.162 4.176 4.340 -0.003 0.000 0.208 181 L C 2.389 179.134 176.870 -0.208 0.000 1.085 181 L CA 1.474 56.177 54.840 -0.229 0.000 0.755 181 L CB -0.728 41.302 42.059 -0.048 0.000 0.904 181 L HN 0.144 nan 8.230 nan 0.000 0.435 182 E N 0.260 120.377 120.200 -0.138 0.000 2.031 182 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 182 E C 2.336 178.859 176.600 -0.129 0.000 0.994 182 E CA 1.145 57.486 56.400 -0.100 0.000 0.800 182 E CB -0.107 29.555 29.700 -0.062 0.000 0.752 182 E HN 0.383 nan 8.360 nan 0.000 0.447 183 L N 0.504 121.627 121.223 -0.166 0.000 1.989 183 L HA -0.222 4.117 4.340 -0.003 0.000 0.211 183 L C 2.551 179.309 176.870 -0.188 0.000 1.071 183 L CA 1.209 55.965 54.840 -0.139 0.000 0.749 183 L CB -0.591 41.399 42.059 -0.114 0.000 0.890 183 L HN 0.164 nan 8.230 nan 0.000 0.431 184 A N -0.128 122.461 122.820 -0.386 0.000 2.186 184 A HA 0.016 4.335 4.320 -0.003 0.000 0.219 184 A C 1.741 179.208 177.584 -0.195 0.000 1.159 184 A CA 1.017 52.834 52.037 -0.367 0.000 0.680 184 A CB -1.007 17.597 19.000 -0.660 0.000 0.787 184 A HN 0.664 nan 8.150 nan 0.000 0.467 185 G N -1.133 107.574 108.800 -0.155 0.000 2.221 185 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.265 185 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.265 185 G C 0.093 174.950 174.900 -0.070 0.000 1.041 185 G CA 0.182 45.230 45.100 -0.087 0.000 0.807 185 G HN 0.887 nan 8.290 nan 0.000 0.502 186 V N 0.179 120.038 119.914 -0.091 0.000 2.572 186 V HA 0.219 4.337 4.120 -0.003 0.000 0.291 186 V C 1.083 177.174 176.094 -0.005 0.000 1.039 186 V CA 0.135 62.407 62.300 -0.047 0.000 1.055 186 V CB 1.100 32.891 31.823 -0.053 0.000 0.969 186 V HN 0.393 nan 8.190 nan 0.000 0.482 187 K N 4.428 124.842 120.400 0.023 0.000 2.218 187 K HA 0.413 4.731 4.320 -0.003 0.000 0.276 187 K C -0.119 176.530 176.600 0.083 0.000 1.022 187 K CA -0.785 55.530 56.287 0.047 0.000 0.946 187 K CB 0.760 33.291 32.500 0.051 0.000 1.000 187 K HN 0.424 nan 8.250 nan 0.000 0.468 188 R N 2.844 123.399 120.500 0.092 0.000 3.070 188 R HA 0.087 4.426 4.340 -0.003 0.000 0.252 188 R C -0.645 175.759 176.300 0.173 0.000 1.370 188 R CA -0.134 56.045 56.100 0.131 0.000 1.482 188 R CB -0.280 30.077 30.300 0.096 0.000 1.220 188 R HN 0.640 nan 8.270 nan 0.000 0.622 189 D N -0.287 120.254 120.400 0.235 0.000 2.339 189 D HA -0.054 4.584 4.640 -0.003 0.000 0.217 189 D C -0.127 176.418 176.300 0.409 0.000 1.050 189 D CA 0.264 54.452 54.000 0.313 0.000 0.856 189 D CB 0.281 41.220 40.800 0.233 0.000 0.922 189 D HN 0.435 nan 8.370 nan 0.000 0.518 190 W N 3.449 124.827 121.300 0.129 0.000 2.290 190 W HA 0.148 4.807 4.660 -0.002 0.000 0.408 190 W C -0.453 176.097 176.519 0.052 0.000 0.966 190 W CA -0.141 57.271 57.345 0.113 0.000 1.579 190 W CB -0.043 29.517 29.460 0.167 0.000 1.662 190 W HN -0.115 nan 8.180 nan 0.000 0.341 191 T N 1.612 115.990 114.554 -0.294 0.000 2.916 191 T HA 0.384 4.732 4.350 -0.003 0.000 0.292 191 T C -2.165 172.245 174.700 -0.484 0.000 1.055 191 T CA -1.860 60.016 62.100 -0.374 0.000 1.009 191 T CB 2.399 71.036 68.868 -0.385 0.000 1.118 191 T HN -0.083 nan 8.240 nan 0.000 0.497 192 P HA -0.146 nan 4.420 nan 0.000 0.215 192 P C 1.750 178.905 177.300 -0.243 0.000 1.153 192 P CA 1.089 63.998 63.100 -0.318 0.000 0.853 192 P CB 0.126 31.695 31.700 -0.219 0.000 0.788 193 E N -0.264 119.803 120.200 -0.221 0.000 2.110 193 E HA -0.247 4.101 4.350 -0.003 0.000 0.193 193 E C 1.772 178.337 176.600 -0.058 0.000 0.988 193 E CA 1.627 57.943 56.400 -0.139 0.000 0.804 193 E CB -1.541 28.075 29.700 -0.140 0.000 0.745 193 E HN 0.456 nan 8.360 nan 0.000 0.458 194 H N 0.409 119.383 119.070 -0.160 0.000 2.353 194 H HA -0.042 4.512 4.556 -0.003 0.000 0.300 194 H C 2.352 177.572 175.328 -0.179 0.000 1.090 194 H CA 1.270 57.230 56.048 -0.147 0.000 1.327 194 H CB 0.366 30.044 29.762 -0.141 0.000 1.383 194 H HN 0.013 nan 8.280 nan 0.000 0.508 195 V N 0.831 120.652 119.914 -0.155 0.000 2.307 195 V HA -0.227 3.891 4.120 -0.003 0.000 0.245 195 V C 2.395 178.434 176.094 -0.091 0.000 1.045 195 V CA 1.354 63.529 62.300 -0.209 0.000 1.024 195 V CB -0.498 31.084 31.823 -0.402 0.000 0.651 195 V HN 0.249 nan 8.190 nan 0.000 0.449 196 L N 0.459 121.632 121.223 -0.084 0.000 1.994 196 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 196 L C 2.430 179.288 176.870 -0.020 0.000 1.071 196 L CA 1.952 56.769 54.840 -0.037 0.000 0.745 196 L CB -0.869 41.163 42.059 -0.045 0.000 0.892 196 L HN 0.396 nan 8.230 nan 0.000 0.431 197 E N -0.543 119.647 120.200 -0.017 0.000 2.033 197 E HA -0.327 4.021 4.350 -0.003 0.000 0.199 197 E C 2.065 178.653 176.600 -0.019 0.000 1.011 197 E CA 1.640 58.033 56.400 -0.010 0.000 0.815 197 E CB -0.328 29.375 29.700 0.004 0.000 0.755 197 E HN 0.638 nan 8.360 nan 0.000 0.451 198 E N 0.890 121.074 120.200 -0.027 0.000 2.097 198 E HA -0.235 4.113 4.350 -0.003 0.000 0.196 198 E C 2.180 178.766 176.600 -0.024 0.000 1.000 198 E CA 1.044 57.424 56.400 -0.033 0.000 0.804 198 E CB -0.067 29.606 29.700 -0.045 0.000 0.740 198 E HN 0.220 nan 8.360 nan 0.000 0.454 199 L N 0.371 121.587 121.223 -0.011 0.000 2.109 199 L HA -0.143 4.196 4.340 -0.003 0.000 0.207 199 L C 2.561 179.418 176.870 -0.021 0.000 1.086 199 L CA 0.499 55.338 54.840 -0.002 0.000 0.760 199 L CB -0.219 41.872 42.059 0.053 0.000 0.910 199 L HN 0.264 nan 8.230 nan 0.000 0.437 200 L N -0.635 120.579 121.223 -0.016 0.000 2.027 200 L HA -0.221 4.117 4.340 -0.003 0.000 0.206 200 L C 2.826 179.678 176.870 -0.030 0.000 1.074 200 L CA 1.167 55.994 54.840 -0.022 0.000 0.745 200 L CB -0.506 41.545 42.059 -0.013 0.000 0.898 200 L HN 0.252 nan 8.230 nan 0.000 0.433 201 R N 0.470 120.954 120.500 -0.027 0.000 2.103 201 R HA -0.227 4.112 4.340 -0.003 0.000 0.234 201 R C 2.158 178.436 176.300 -0.038 0.000 1.132 201 R CA 2.114 58.198 56.100 -0.028 0.000 0.925 201 R CB -0.240 30.045 30.300 -0.025 0.000 0.842 201 R HN 0.369 nan 8.270 nan 0.000 0.430 202 E N -0.306 119.869 120.200 -0.043 0.000 2.013 202 E HA -0.233 4.115 4.350 -0.003 0.000 0.202 202 E C 2.043 178.592 176.600 -0.084 0.000 1.018 202 E CA 2.044 58.411 56.400 -0.056 0.000 0.834 202 E CB -0.273 29.395 29.700 -0.054 0.000 0.770 202 E HN 0.185 nan 8.360 nan 0.000 0.459 203 V N 1.177 121.031 119.914 -0.101 0.000 2.277 203 V HA -0.369 3.749 4.120 -0.003 0.000 0.255 203 V C 2.463 178.481 176.094 -0.126 0.000 1.074 203 V CA 2.461 64.677 62.300 -0.140 0.000 1.058 203 V CB -0.667 31.079 31.823 -0.128 0.000 0.656 203 V HN 0.274 nan 8.190 nan 0.000 0.449 204 R N -0.381 120.073 120.500 -0.077 0.000 2.080 204 R HA -0.212 4.126 4.340 -0.003 0.000 0.236 204 R C 2.403 178.673 176.300 -0.049 0.000 1.137 204 R CA 2.226 58.297 56.100 -0.050 0.000 0.943 204 R CB -0.234 30.049 30.300 -0.028 0.000 0.846 204 R HN 0.676 nan 8.270 nan 0.000 0.431 205 E N -0.381 119.789 120.200 -0.049 0.000 2.028 205 E HA -0.174 4.175 4.350 -0.003 0.000 0.191 205 E C 2.236 178.806 176.600 -0.050 0.000 0.988 205 E CA 1.034 57.414 56.400 -0.034 0.000 0.799 205 E CB -0.062 29.624 29.700 -0.024 0.000 0.755 205 E HN 0.301 nan 8.360 nan 0.000 0.447 206 R N 0.306 120.745 120.500 -0.102 0.000 2.103 206 R HA -0.165 4.173 4.340 -0.003 0.000 0.242 206 R C 2.198 178.316 176.300 -0.304 0.000 1.142 206 R CA 1.433 57.434 56.100 -0.164 0.000 0.960 206 R CB -0.228 29.929 30.300 -0.239 0.000 0.858 206 R HN 0.122 nan 8.270 nan 0.000 0.439 207 A N -0.048 122.561 122.820 -0.353 0.000 2.030 207 A HA 0.236 4.554 4.320 -0.003 0.000 0.215 207 A C 1.550 179.164 177.584 0.050 0.000 1.164 207 A CA 0.915 52.754 52.037 -0.331 0.000 0.697 207 A CB -0.355 18.472 19.000 -0.287 0.000 0.827 207 A HN 0.452 nan 8.150 nan 0.000 0.457 208 G N 0.321 109.134 108.800 0.021 0.000 2.665 208 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.326 208 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.326 208 G C 0.778 175.727 174.900 0.080 0.000 1.231 208 G CA 1.047 46.184 45.100 0.061 0.000 0.992 208 G HN 0.515 nan 8.290 nan 0.000 0.549 209 K N 1.220 121.681 120.400 0.101 0.000 2.387 209 K HA 0.210 4.528 4.320 -0.003 0.000 0.203 209 K C -0.005 176.667 176.600 0.120 0.000 1.030 209 K CA -0.121 56.221 56.287 0.092 0.000 1.099 209 K CB 0.475 33.012 32.500 0.061 0.000 0.863 209 K HN 0.442 nan 8.250 nan 0.000 0.529 210 D N 1.501 122.016 120.400 0.192 0.000 2.393 210 D HA 0.100 4.738 4.640 -0.003 0.000 0.246 210 D C 0.172 176.627 176.300 0.258 0.000 1.275 210 D CA 0.125 54.255 54.000 0.216 0.000 0.979 210 D CB 0.767 41.751 40.800 0.308 0.000 1.101 210 D HN -0.076 nan 8.370 nan 0.000 0.505 211 R N 0.167 120.815 120.500 0.247 0.000 2.265 211 R HA 0.422 4.761 4.340 -0.003 0.000 0.319 211 R C -0.570 176.064 176.300 0.556 0.000 1.006 211 R CA -0.685 55.623 56.100 0.347 0.000 0.880 211 R CB 1.743 32.149 30.300 0.176 0.000 1.077 211 R HN 0.143 nan 8.270 nan 0.000 0.454 212 V N 5.646 125.871 119.914 0.518 0.000 2.409 212 V HA 0.419 4.537 4.120 -0.003 0.000 0.291 212 V C -1.205 175.016 176.094 0.210 0.000 1.020 212 V CA -0.941 61.615 62.300 0.428 0.000 0.848 212 V CB 1.506 33.501 31.823 0.286 0.000 0.990 212 V HN 0.585 nan 8.190 nan 0.000 0.430 213 L N 8.630 129.861 121.223 0.014 0.000 2.282 213 L HA 0.736 5.074 4.340 -0.003 0.000 0.288 213 L C -0.920 175.908 176.870 -0.070 0.000 1.033 213 L CA -0.301 54.327 54.840 -0.354 0.000 0.807 213 L CB 1.446 42.993 42.059 -0.853 0.000 1.209 213 L HN 0.792 nan 8.230 nan 0.000 0.423 214 L N 3.698 124.935 121.223 0.022 0.000 2.422 214 L HA 0.923 5.261 4.340 -0.003 0.000 0.264 214 L C -0.774 176.161 176.870 0.108 0.000 0.984 214 L CA -1.093 53.786 54.840 0.065 0.000 0.819 214 L CB 0.824 42.876 42.059 -0.011 0.000 1.330 214 L HN 0.663 nan 8.230 nan 0.000 0.410 215 A N 2.835 125.631 122.820 -0.040 0.000 2.301 215 A HA 0.705 5.024 4.320 -0.003 0.000 0.298 215 A C 0.006 177.516 177.584 -0.123 0.000 1.185 215 A CA -0.258 51.704 52.037 -0.125 0.000 0.830 215 A CB 0.836 19.572 19.000 -0.441 0.000 1.112 215 A HN 1.311 nan 8.150 nan 0.000 0.508 216 V N 1.764 121.610 119.914 -0.113 0.000 2.435 216 V HA 0.655 4.773 4.120 -0.003 0.000 0.290 216 V C 0.637 176.416 176.094 -0.526 0.000 1.030 216 V CA 0.302 62.481 62.300 -0.203 0.000 0.881 216 V CB 0.863 32.648 31.823 -0.063 0.000 0.983 216 V HN 1.117 nan 8.190 nan 0.000 0.445 217 S N 2.111 117.511 115.700 -0.501 0.000 2.514 217 S HA 0.533 5.001 4.470 -0.003 0.000 0.223 217 S C 1.439 175.694 174.600 -0.576 0.000 1.046 217 S CA 0.703 58.526 58.200 -0.628 0.000 0.914 217 S CB 0.744 63.715 63.200 -0.381 0.000 0.807 217 S HN 2.232 nan 8.310 nan 0.000 0.497 218 G N 0.706 109.320 108.800 -0.310 0.000 2.545 218 G HA2 0.038 3.996 3.960 -0.003 0.000 0.195 218 G HA3 0.038 3.996 3.960 -0.003 0.000 0.195 218 G C 0.454 175.341 174.900 -0.022 0.000 1.009 218 G CA -0.272 44.786 45.100 -0.069 0.000 0.703 218 G HN 0.957 nan 8.290 nan 0.000 0.479 219 G N 0.228 109.000 108.800 -0.047 0.000 2.491 219 G HA2 0.479 4.437 3.960 -0.003 0.000 0.238 219 G HA3 0.479 4.437 3.960 -0.003 0.000 0.238 219 G C 1.308 176.206 174.900 -0.002 0.000 1.277 219 G CA 0.620 45.713 45.100 -0.011 0.000 0.851 219 G HN 1.030 nan 8.290 nan 0.000 0.573 220 V N 1.319 121.242 119.914 0.015 0.000 2.688 220 V HA -0.149 3.970 4.120 -0.003 0.000 0.256 220 V C 2.171 178.272 176.094 0.012 0.000 1.084 220 V CA 2.736 65.044 62.300 0.013 0.000 1.103 220 V CB -0.339 31.493 31.823 0.015 0.000 0.688 220 V HN 0.851 nan 8.190 nan 0.000 0.480 221 D N -0.328 120.081 120.400 0.016 0.000 2.075 221 D HA -0.116 4.522 4.640 -0.003 0.000 0.196 221 D C 2.332 178.693 176.300 0.103 0.000 0.985 221 D CA 1.938 55.970 54.000 0.053 0.000 0.834 221 D CB -0.187 40.642 40.800 0.048 0.000 0.987 221 D HN 0.483 nan 8.370 nan 0.000 0.452 222 S N -0.369 115.349 115.700 0.030 0.000 2.370 222 S HA -0.139 4.330 4.470 -0.003 0.000 0.226 222 S C 2.221 176.834 174.600 0.022 0.000 1.033 222 S CA 1.294 59.494 58.200 -0.000 0.000 1.011 222 S CB -0.347 62.802 63.200 -0.085 0.000 0.852 222 S HN 0.213 nan 8.310 nan 0.000 0.457 223 S N 1.075 116.788 115.700 0.021 0.000 2.368 223 S HA -0.096 4.372 4.470 -0.003 0.000 0.225 223 S C 2.113 176.745 174.600 0.053 0.000 1.030 223 S CA 1.533 59.754 58.200 0.035 0.000 0.999 223 S CB -0.615 62.604 63.200 0.032 0.000 0.844 223 S HN 0.599 nan 8.310 nan 0.000 0.459 224 T N 2.445 117.046 114.554 0.079 0.000 2.821 224 T HA 0.017 4.365 4.350 -0.003 0.000 0.267 224 T C 1.727 176.552 174.700 0.207 0.000 1.046 224 T CA 0.749 62.916 62.100 0.112 0.000 1.139 224 T CB -0.340 68.562 68.868 0.057 0.000 0.871 224 T HN 0.157 nan 8.240 nan 0.000 0.454 225 L N 1.788 123.157 121.223 0.243 0.000 2.017 225 L HA 0.078 4.416 4.340 -0.003 0.000 0.208 225 L C 2.646 179.491 176.870 -0.041 0.000 1.073 225 L CA 1.937 56.828 54.840 0.086 0.000 0.745 225 L CB -1.245 40.808 42.059 -0.010 0.000 0.894 225 L HN 0.221 nan 8.230 nan 0.000 0.432 226 A N -0.456 122.341 122.820 -0.037 0.000 1.883 226 A HA -0.211 4.107 4.320 -0.003 0.000 0.217 226 A C 2.275 179.779 177.584 -0.132 0.000 1.186 226 A CA 2.161 54.134 52.037 -0.107 0.000 0.624 226 A CB -1.009 17.980 19.000 -0.018 0.000 0.822 226 A HN 0.517 nan 8.150 nan 0.000 0.444 227 L N -1.151 120.052 121.223 -0.033 0.000 2.201 227 L HA -0.139 4.199 4.340 -0.003 0.000 0.212 227 L C 2.527 179.380 176.870 -0.029 0.000 1.105 227 L CA 0.895 55.725 54.840 -0.017 0.000 0.775 227 L CB -0.510 41.560 42.059 0.017 0.000 0.913 227 L HN 0.466 nan 8.230 nan 0.000 0.440 228 L N -0.122 121.090 121.223 -0.018 0.000 2.072 228 L HA -0.152 4.186 4.340 -0.003 0.000 0.205 228 L C 2.299 179.119 176.870 -0.083 0.000 1.079 228 L CA 1.595 56.425 54.840 -0.017 0.000 0.752 228 L CB -0.321 41.750 42.059 0.020 0.000 0.906 228 L HN 0.071 nan 8.230 nan 0.000 0.436 229 L N -0.528 120.592 121.223 -0.171 0.000 1.976 229 L HA -0.204 4.134 4.340 -0.003 0.000 0.209 229 L C 2.742 179.520 176.870 -0.153 0.000 1.071 229 L CA 1.399 56.106 54.840 -0.221 0.000 0.746 229 L CB -1.243 40.559 42.059 -0.429 0.000 0.890 229 L HN 0.359 nan 8.230 nan 0.000 0.432 230 A N 0.356 123.045 122.820 -0.218 0.000 1.873 230 A HA -0.315 4.003 4.320 -0.003 0.000 0.218 230 A C 2.301 179.912 177.584 0.045 0.000 1.193 230 A CA 2.418 54.484 52.037 0.049 0.000 0.629 230 A CB -0.596 18.454 19.000 0.084 0.000 0.826 230 A HN 0.270 nan 8.150 nan 0.000 0.447 231 K N 0.104 120.508 120.400 0.007 0.000 2.152 231 K HA -0.011 4.307 4.320 -0.003 0.000 0.206 231 K C 1.522 178.128 176.600 0.010 0.000 1.048 231 K CA 1.506 57.800 56.287 0.012 0.000 0.933 231 K CB -0.493 32.009 32.500 0.003 0.000 0.721 231 K HN 0.392 nan 8.250 nan 0.000 0.447 232 A N -0.765 122.055 122.820 0.001 0.000 2.278 232 A HA 0.337 4.655 4.320 -0.003 0.000 0.212 232 A C 1.346 178.942 177.584 0.021 0.000 1.213 232 A CA 0.595 52.632 52.037 0.000 0.000 0.840 232 A CB -0.697 18.289 19.000 -0.022 0.000 0.866 232 A HN 0.465 nan 8.150 nan 0.000 0.489 233 G N -0.996 107.831 108.800 0.045 0.000 2.175 233 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.265 233 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.265 233 G C 0.365 175.318 174.900 0.087 0.000 0.979 233 G CA 0.406 45.544 45.100 0.063 0.000 0.663 233 G HN 0.793 nan 8.290 nan 0.000 0.533 234 V N 0.537 120.510 119.914 0.098 0.000 2.843 234 V HA 0.314 4.433 4.120 -0.003 0.000 0.305 234 V C 0.772 177.010 176.094 0.242 0.000 1.065 234 V CA 0.308 62.684 62.300 0.127 0.000 1.116 234 V CB 1.448 33.315 31.823 0.075 0.000 0.968 234 V HN 0.418 nan 8.190 nan 0.000 0.487 235 D N 3.796 124.308 120.400 0.188 0.000 2.316 235 D HA 0.347 4.985 4.640 -0.003 0.000 0.245 235 D C -0.181 176.260 176.300 0.236 0.000 1.171 235 D CA -0.037 54.056 54.000 0.154 0.000 0.856 235 D CB 0.260 41.128 40.800 0.113 0.000 1.090 235 D HN 0.801 nan 8.370 nan 0.000 0.476 236 H N 2.085 121.233 119.070 0.129 0.000 2.977 236 H HA 0.549 5.103 4.556 -0.003 0.000 0.350 236 H C -1.779 173.624 175.328 0.125 0.000 1.238 236 H CA -1.278 54.849 56.048 0.131 0.000 1.124 236 H CB 0.854 30.657 29.762 0.068 0.000 1.866 236 H HN 0.301 nan 8.280 nan 0.000 0.550 237 L N 1.737 123.034 121.223 0.125 0.000 2.427 237 L HA 0.618 4.957 4.340 -0.003 0.000 0.264 237 L C -0.671 176.242 176.870 0.071 0.000 0.989 237 L CA -0.305 54.562 54.840 0.045 0.000 0.865 237 L CB 0.839 42.906 42.059 0.013 0.000 1.209 237 L HN 0.879 nan 8.230 nan 0.000 0.430 238 A N 4.731 127.663 122.820 0.187 0.000 2.404 238 A HA 0.620 4.938 4.320 -0.003 0.000 0.273 238 A C -0.529 177.158 177.584 0.172 0.000 1.144 238 A CA -0.299 51.848 52.037 0.184 0.000 0.806 238 A CB 0.260 19.388 19.000 0.214 0.000 1.080 238 A HN 0.532 nan 8.150 nan 0.000 0.509 239 V N 3.529 123.567 119.914 0.205 0.000 2.334 239 V HA 0.336 4.454 4.120 -0.003 0.000 0.281 239 V C -0.752 175.503 176.094 0.269 0.000 1.016 239 V CA -0.351 62.106 62.300 0.261 0.000 0.832 239 V CB 0.761 32.817 31.823 0.388 0.000 0.999 239 V HN 0.740 nan 8.190 nan 0.000 0.439 240 F N 5.687 125.709 119.950 0.120 0.000 2.361 240 F HA 0.583 5.108 4.527 -0.003 0.000 0.364 240 F C 0.011 175.871 175.800 0.100 0.000 1.117 240 F CA -1.062 56.990 58.000 0.088 0.000 1.071 240 F CB 1.463 40.495 39.000 0.053 0.000 1.188 240 F HN 0.276 nan 8.300 nan 0.000 0.464 241 V N 6.029 126.202 119.914 0.431 0.000 2.304 241 V HA 0.093 4.212 4.120 -0.003 0.000 0.262 241 V C 0.032 176.301 176.094 0.292 0.000 1.061 241 V CA -0.726 61.797 62.300 0.371 0.000 0.872 241 V CB 0.572 32.636 31.823 0.402 0.000 1.077 241 V HN 0.557 nan 8.190 nan 0.000 0.480 242 D N 4.105 124.702 120.400 0.327 0.000 2.342 242 D HA 0.022 4.661 4.640 -0.003 0.000 0.260 242 D C 1.308 177.706 176.300 0.163 0.000 1.278 242 D CA -0.072 54.068 54.000 0.233 0.000 0.910 242 D CB 0.480 41.354 40.800 0.124 0.000 1.079 242 D HN 0.827 nan 8.370 nan 0.000 0.496 243 H N 1.835 120.797 119.070 -0.180 0.000 2.539 243 H HA 0.277 4.832 4.556 -0.003 0.000 0.269 243 H C 1.283 176.474 175.328 -0.228 0.000 0.980 243 H CA -0.092 55.558 56.048 -0.665 0.000 1.152 243 H CB 0.329 29.086 29.762 -1.674 0.000 1.407 243 H HN 0.499 nan 8.280 nan 0.000 0.564 244 G N 1.661 110.556 108.800 0.159 0.000 2.153 244 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.252 244 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.252 244 G C 0.449 175.319 174.900 -0.050 0.000 0.994 244 G CA 0.533 45.674 45.100 0.069 0.000 0.698 244 G HN 0.504 nan 8.290 nan 0.000 0.521 245 L N -0.285 120.794 121.223 -0.240 0.000 3.066 245 L HA 0.459 4.797 4.340 -0.003 0.000 0.265 245 L C 1.118 178.001 176.870 0.022 0.000 1.232 245 L CA -0.372 54.261 54.840 -0.344 0.000 1.031 245 L CB 0.090 41.636 42.059 -0.855 0.000 1.379 245 L HN 0.128 nan 8.230 nan 0.000 0.563 246 L N -0.191 121.148 121.223 0.193 0.000 2.448 246 L HA 0.440 4.778 4.340 -0.003 0.000 0.258 246 L C 0.640 177.543 176.870 0.056 0.000 1.104 246 L CA -0.771 54.217 54.840 0.247 0.000 0.800 246 L CB 0.728 42.921 42.059 0.224 0.000 1.241 246 L HN 0.163 nan 8.230 nan 0.000 0.472 247 R N 0.241 120.644 120.500 -0.162 0.000 2.582 247 R HA 0.344 4.682 4.340 -0.003 0.000 0.271 247 R C -0.673 175.574 176.300 -0.087 0.000 1.078 247 R CA -0.745 55.252 56.100 -0.172 0.000 1.127 247 R CB 0.397 30.479 30.300 -0.364 0.000 1.038 247 R HN 0.403 nan 8.270 nan 0.000 0.500 248 L N 2.257 123.448 121.223 -0.054 0.000 2.706 248 L HA -0.163 4.175 4.340 -0.003 0.000 0.282 248 L C 1.363 178.203 176.870 -0.049 0.000 1.219 248 L CA 1.134 55.952 54.840 -0.038 0.000 0.935 248 L CB -0.049 41.994 42.059 -0.026 0.000 1.204 248 L HN 1.092 nan 8.230 nan 0.000 0.491 249 G N 2.404 111.180 108.800 -0.041 0.000 2.166 249 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.260 249 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.260 249 G C 0.926 175.795 174.900 -0.053 0.000 0.986 249 G CA 0.795 45.867 45.100 -0.046 0.000 0.683 249 G HN 0.829 nan 8.290 nan 0.000 0.527 250 E N 0.606 120.775 120.200 -0.052 0.000 2.051 250 E HA -0.214 4.134 4.350 -0.003 0.000 0.192 250 E C 2.638 179.231 176.600 -0.012 0.000 0.991 250 E CA 1.535 57.915 56.400 -0.033 0.000 0.799 250 E CB -0.219 29.454 29.700 -0.045 0.000 0.748 250 E HN 0.776 nan 8.360 nan 0.000 0.449 251 R N 0.575 121.037 120.500 -0.064 0.000 2.083 251 R HA -0.184 4.154 4.340 -0.003 0.000 0.237 251 R C 2.016 178.178 176.300 -0.230 0.000 1.137 251 R CA 1.921 57.860 56.100 -0.269 0.000 0.951 251 R CB -0.633 29.480 30.300 -0.313 0.000 0.851 251 R HN 0.226 nan 8.270 nan 0.000 0.434 252 E N 0.827 120.947 120.200 -0.132 0.000 2.153 252 E HA -0.171 4.177 4.350 -0.003 0.000 0.194 252 E C 1.972 178.532 176.600 -0.067 0.000 0.988 252 E CA 1.458 57.799 56.400 -0.097 0.000 0.811 252 E CB -0.010 29.649 29.700 -0.068 0.000 0.746 252 E HN 0.595 nan 8.360 nan 0.000 0.466 253 E N 0.418 120.588 120.200 -0.050 0.000 2.072 253 E HA -0.125 4.223 4.350 -0.003 0.000 0.190 253 E C 2.235 178.835 176.600 0.000 0.000 0.982 253 E CA 0.943 57.327 56.400 -0.027 0.000 0.803 253 E CB 0.138 29.821 29.700 -0.029 0.000 0.755 253 E HN 0.057 nan 8.360 nan 0.000 0.453 254 V N 2.263 122.194 119.914 0.029 0.000 2.283 254 V HA -0.267 3.852 4.120 -0.003 0.000 0.243 254 V C 2.452 178.590 176.094 0.073 0.000 1.039 254 V CA 2.242 64.608 62.300 0.111 0.000 1.016 254 V CB -0.757 31.281 31.823 0.358 0.000 0.650 254 V HN 0.383 nan 8.190 nan 0.000 0.449 255 E N 1.265 121.453 120.200 -0.021 0.000 2.110 255 E HA -0.163 4.186 4.350 -0.003 0.000 0.193 255 E C 2.239 178.839 176.600 0.000 0.000 0.988 255 E CA 1.656 58.043 56.400 -0.022 0.000 0.804 255 E CB -0.784 28.849 29.700 -0.111 0.000 0.745 255 E HN 0.492 nan 8.360 nan 0.000 0.458 256 G N 0.999 109.791 108.800 -0.014 0.000 2.408 256 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.217 256 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.217 256 G C 1.727 176.632 174.900 0.008 0.000 1.150 256 G CA 0.917 46.013 45.100 -0.007 0.000 0.776 256 G HN 0.451 nan 8.290 nan 0.000 0.542 257 A N 0.392 123.221 122.820 0.016 0.000 1.898 257 A HA 0.263 4.581 4.320 -0.003 0.000 0.214 257 A C 2.407 180.012 177.584 0.035 0.000 1.183 257 A CA 0.818 52.868 52.037 0.021 0.000 0.622 257 A CB -0.321 18.691 19.000 0.019 0.000 0.824 257 A HN 0.308 nan 8.150 nan 0.000 0.444 258 L N -0.876 120.380 121.223 0.054 0.000 2.017 258 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 258 L C 2.893 179.804 176.870 0.068 0.000 1.073 258 L CA 1.513 56.395 54.840 0.071 0.000 0.745 258 L CB -0.577 41.544 42.059 0.104 0.000 0.894 258 L HN 0.367 nan 8.230 nan 0.000 0.432 259 R N 0.075 120.609 120.500 0.057 0.000 2.081 259 R HA -0.126 4.212 4.340 -0.003 0.000 0.235 259 R C 2.358 178.682 176.300 0.039 0.000 1.131 259 R CA 1.359 57.488 56.100 0.049 0.000 0.960 259 R CB -0.502 29.818 30.300 0.032 0.000 0.856 259 R HN 0.336 nan 8.270 nan 0.000 0.436 260 A N 0.560 123.397 122.820 0.029 0.000 2.125 260 A HA -0.106 4.213 4.320 -0.003 0.000 0.219 260 A C 1.756 179.355 177.584 0.025 0.000 1.156 260 A CA 1.149 53.198 52.037 0.021 0.000 0.671 260 A CB -0.090 18.918 19.000 0.013 0.000 0.794 260 A HN 0.101 nan 8.150 nan 0.000 0.459 261 L N -2.184 119.060 121.223 0.034 0.000 2.477 261 L HA 0.313 4.651 4.340 -0.003 0.000 0.220 261 L C 1.679 178.579 176.870 0.049 0.000 1.106 261 L CA 1.258 56.119 54.840 0.036 0.000 0.851 261 L CB 0.009 42.089 42.059 0.035 0.000 0.994 261 L HN 0.574 nan 8.230 nan 0.000 0.462 262 G N -1.277 107.560 108.800 0.062 0.000 2.159 262 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.170 262 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.170 262 G C 0.050 175.031 174.900 0.134 0.000 1.007 262 G CA -0.114 45.033 45.100 0.079 0.000 0.672 262 G HN 0.015 nan 8.290 nan 0.000 0.507 263 V N 1.849 121.854 119.914 0.152 0.000 2.555 263 V HA 0.278 4.397 4.120 -0.003 0.000 0.286 263 V C 0.958 177.172 176.094 0.200 0.000 1.044 263 V CA -0.540 61.924 62.300 0.272 0.000 1.026 263 V CB 1.586 33.528 31.823 0.198 0.000 0.981 263 V HN 0.409 nan 8.190 nan 0.000 0.480 264 N N 4.666 123.461 118.700 0.158 0.000 2.498 264 N HA 0.056 4.794 4.740 -0.003 0.000 0.277 264 N C -0.858 174.693 175.510 0.069 0.000 1.208 264 N CA -0.270 52.757 53.050 -0.040 0.000 1.029 264 N CB 0.319 38.604 38.487 -0.337 0.000 1.403 264 N HN 0.537 nan 8.380 nan 0.000 0.500 265 L N 4.059 125.336 121.223 0.090 0.000 2.295 265 L HA 0.498 4.836 4.340 -0.003 0.000 0.285 265 L C -1.052 175.873 176.870 0.093 0.000 1.035 265 L CA -0.733 54.176 54.840 0.115 0.000 0.806 265 L CB 1.380 43.512 42.059 0.122 0.000 1.214 265 L HN 0.375 nan 8.230 nan 0.000 0.426 266 L N 6.629 127.922 121.223 0.117 0.000 2.377 266 L HA 0.557 4.895 4.340 -0.003 0.000 0.270 266 L C -1.316 175.635 176.870 0.135 0.000 0.991 266 L CA -0.414 54.487 54.840 0.103 0.000 0.851 266 L CB 1.682 43.798 42.059 0.095 0.000 1.218 266 L HN 0.449 nan 8.230 nan 0.000 0.420 267 V N 6.549 126.520 119.914 0.094 0.000 2.407 267 V HA 0.616 4.734 4.120 -0.003 0.000 0.278 267 V C -0.771 175.379 176.094 0.094 0.000 1.037 267 V CA -0.221 62.136 62.300 0.095 0.000 0.900 267 V CB 1.730 33.514 31.823 -0.064 0.000 0.983 267 V HN 0.556 nan 8.190 nan 0.000 0.459 268 V N 6.697 126.700 119.914 0.148 0.000 2.370 268 V HA 0.335 4.453 4.120 -0.003 0.000 0.283 268 V C 0.142 176.327 176.094 0.151 0.000 1.023 268 V CA -0.557 61.826 62.300 0.139 0.000 0.857 268 V CB 1.491 33.411 31.823 0.160 0.000 0.985 268 V HN 0.970 nan 8.190 nan 0.000 0.443 269 D N 4.739 125.209 120.400 0.117 0.000 2.359 269 D HA 0.306 4.944 4.640 -0.003 0.000 0.250 269 D C 0.480 176.884 176.300 0.173 0.000 1.264 269 D CA 0.113 54.187 54.000 0.124 0.000 0.911 269 D CB 1.588 42.437 40.800 0.082 0.000 1.056 269 D HN 0.648 nan 8.370 nan 0.000 0.499 270 A N 4.430 127.407 122.820 0.262 0.000 2.571 270 A HA 0.107 4.425 4.320 -0.003 0.000 0.274 270 A C 1.839 179.699 177.584 0.460 0.000 1.196 270 A CA -0.315 51.946 52.037 0.374 0.000 0.957 270 A CB 0.223 19.587 19.000 0.608 0.000 1.150 270 A HN 0.505 nan 8.150 nan 0.000 0.539 271 K N 0.597 121.175 120.400 0.297 0.000 2.032 271 K HA -0.231 4.088 4.320 -0.003 0.000 0.218 271 K C 1.654 178.398 176.600 0.240 0.000 1.054 271 K CA 2.028 58.460 56.287 0.241 0.000 0.941 271 K CB -0.066 32.519 32.500 0.141 0.000 0.720 271 K HN 0.413 nan 8.250 nan 0.000 0.449 272 E N 0.542 120.845 120.200 0.172 0.000 2.049 272 E HA -0.212 4.136 4.350 -0.003 0.000 0.198 272 E C 2.069 178.746 176.600 0.128 0.000 1.007 272 E CA 1.364 57.839 56.400 0.126 0.000 0.809 272 E CB -0.261 29.492 29.700 0.087 0.000 0.749 272 E HN 0.322 nan 8.360 nan 0.000 0.450 273 R N -0.162 120.411 120.500 0.122 0.000 2.115 273 R HA -0.178 4.161 4.340 -0.003 0.000 0.239 273 R C 2.545 178.842 176.300 -0.005 0.000 1.133 273 R CA 1.862 57.971 56.100 0.016 0.000 0.935 273 R CB -0.773 29.483 30.300 -0.073 0.000 0.853 273 R HN 0.167 nan 8.270 nan 0.000 0.433 274 F N 0.709 120.713 119.950 0.091 0.000 2.134 274 F HA -0.187 4.338 4.527 -0.003 0.000 0.299 274 F C 2.294 178.127 175.800 0.055 0.000 1.097 274 F CA 0.987 59.040 58.000 0.089 0.000 1.264 274 F CB -0.446 38.627 39.000 0.123 0.000 1.001 274 F HN -0.081 nan 8.300 nan 0.000 0.479 275 L N 0.340 121.709 121.223 0.243 0.000 2.017 275 L HA -0.221 4.118 4.340 -0.003 0.000 0.208 275 L C 2.379 179.304 176.870 0.092 0.000 1.073 275 L CA 1.781 56.704 54.840 0.137 0.000 0.745 275 L CB -0.994 41.131 42.059 0.110 0.000 0.894 275 L HN 0.047 nan 8.230 nan 0.000 0.432 276 K N -0.690 119.756 120.400 0.077 0.000 2.057 276 K HA -0.137 4.182 4.320 -0.003 0.000 0.206 276 K C 2.022 178.645 176.600 0.037 0.000 1.050 276 K CA 1.211 57.527 56.287 0.047 0.000 0.935 276 K CB -0.113 32.408 32.500 0.035 0.000 0.715 276 K HN 0.279 nan 8.250 nan 0.000 0.439 277 A N 0.807 123.645 122.820 0.030 0.000 2.019 277 A HA -0.066 4.252 4.320 -0.003 0.000 0.219 277 A C 1.834 179.441 177.584 0.040 0.000 1.164 277 A CA 1.030 53.076 52.037 0.015 0.000 0.644 277 A CB -0.303 18.680 19.000 -0.029 0.000 0.805 277 A HN 0.333 nan 8.150 nan 0.000 0.449 278 L N -0.654 120.607 121.223 0.064 0.000 2.592 278 L HA 0.068 4.406 4.340 -0.003 0.000 0.227 278 L C 0.252 177.151 176.870 0.049 0.000 1.127 278 L CA -0.127 54.751 54.840 0.064 0.000 0.884 278 L CB -0.042 42.067 42.059 0.083 0.000 1.065 278 L HN 0.198 nan 8.230 nan 0.000 0.457 279 K N 0.478 120.904 120.400 0.043 0.000 2.489 279 K HA 0.143 4.461 4.320 -0.003 0.000 0.278 279 K C 1.268 177.887 176.600 0.032 0.000 1.000 279 K CA 0.730 57.040 56.287 0.037 0.000 1.012 279 K CB 0.376 32.896 32.500 0.033 0.000 0.903 279 K HN 0.219 nan 8.250 nan 0.000 0.485 280 G N 1.294 110.113 108.800 0.032 0.000 2.257 280 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.267 280 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.267 280 G C 0.186 175.104 174.900 0.029 0.000 0.984 280 G CA 0.404 45.522 45.100 0.029 0.000 0.626 280 G HN 0.543 nan 8.290 nan 0.000 0.540 281 V N 0.542 120.475 119.914 0.032 0.000 2.530 281 V HA 0.653 4.772 4.120 -0.003 0.000 0.282 281 V C 0.965 177.079 176.094 0.033 0.000 1.048 281 V CA 1.032 63.351 62.300 0.031 0.000 0.997 281 V CB 1.367 33.211 31.823 0.034 0.000 0.987 281 V HN 0.450 nan 8.190 nan 0.000 0.477 282 E N 2.599 122.818 120.200 0.031 0.000 2.391 282 E HA 0.131 4.480 4.350 -0.003 0.000 0.206 282 E C -0.010 176.609 176.600 0.032 0.000 0.851 282 E CA -0.212 56.208 56.400 0.033 0.000 1.059 282 E CB 0.286 30.005 29.700 0.033 0.000 1.065 282 E HN 0.826 nan 8.360 nan 0.000 0.512 283 D N 1.917 122.334 120.400 0.028 0.000 2.472 283 D HA -0.030 4.608 4.640 -0.003 0.000 0.248 283 D C -1.774 174.543 176.300 0.027 0.000 1.174 283 D CA -1.576 52.439 54.000 0.026 0.000 0.883 283 D CB 1.151 41.964 40.800 0.022 0.000 1.149 283 D HN -0.157 nan 8.370 nan 0.000 0.488 284 P HA -0.147 nan 4.420 nan 0.000 0.216 284 P C 1.054 178.367 177.300 0.021 0.000 1.150 284 P CA 0.932 64.047 63.100 0.026 0.000 0.837 284 P CB 0.314 32.032 31.700 0.029 0.000 0.786 285 E N -0.256 119.955 120.200 0.020 0.000 2.017 285 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 285 E C 1.956 178.570 176.600 0.024 0.000 0.997 285 E CA 1.156 57.567 56.400 0.018 0.000 0.804 285 E CB -0.758 28.951 29.700 0.016 0.000 0.757 285 E HN 0.286 nan 8.360 nan 0.000 0.448 286 E N 1.179 121.394 120.200 0.025 0.000 2.097 286 E HA -0.179 4.169 4.350 -0.003 0.000 0.196 286 E C 2.014 178.637 176.600 0.038 0.000 1.000 286 E CA 0.979 57.398 56.400 0.030 0.000 0.804 286 E CB -0.238 29.479 29.700 0.028 0.000 0.740 286 E HN 0.283 nan 8.360 nan 0.000 0.454 287 K N 0.422 120.845 120.400 0.038 0.000 2.001 287 K HA -0.153 4.165 4.320 -0.003 0.000 0.214 287 K C 2.355 178.988 176.600 0.056 0.000 1.050 287 K CA 1.552 57.867 56.287 0.047 0.000 0.934 287 K CB -0.251 32.269 32.500 0.034 0.000 0.718 287 K HN 0.000 nan 8.250 nan 0.000 0.443 288 R N 1.219 121.742 120.500 0.038 0.000 2.091 288 R HA -0.128 4.211 4.340 -0.003 0.000 0.238 288 R C 2.312 178.645 176.300 0.055 0.000 1.136 288 R CA 1.623 57.745 56.100 0.037 0.000 0.959 288 R CB -0.164 30.143 30.300 0.013 0.000 0.856 288 R HN 0.167 nan 8.270 nan 0.000 0.437 289 K N 0.413 120.842 120.400 0.048 0.000 2.002 289 K HA -0.112 4.206 4.320 -0.003 0.000 0.209 289 K C 2.144 178.785 176.600 0.068 0.000 1.048 289 K CA 1.416 57.734 56.287 0.052 0.000 0.930 289 K CB -0.199 32.324 32.500 0.039 0.000 0.714 289 K HN 0.135 nan 8.250 nan 0.000 0.438 290 I N 1.569 122.179 120.570 0.067 0.000 2.127 290 I HA -0.310 3.858 4.170 -0.003 0.000 0.241 290 I C 2.393 178.580 176.117 0.116 0.000 1.075 290 I CA 1.355 62.697 61.300 0.070 0.000 1.334 290 I CB -0.609 37.431 38.000 0.065 0.000 1.040 290 I HN 0.187 nan 8.210 nan 0.000 0.405 291 I N 0.996 121.674 120.570 0.180 0.000 2.208 291 I HA -0.228 3.941 4.170 -0.003 0.000 0.245 291 I C 2.751 179.074 176.117 0.343 0.000 1.097 291 I CA 1.944 63.449 61.300 0.341 0.000 1.363 291 I CB -1.770 36.388 38.000 0.263 0.000 1.051 291 I HN 0.271 nan 8.210 nan 0.000 0.413 292 G N 0.967 109.890 108.800 0.204 0.000 2.421 292 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.216 292 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.216 292 G C 1.868 176.896 174.900 0.215 0.000 1.171 292 G CA 0.426 45.645 45.100 0.198 0.000 0.775 292 G HN 0.330 nan 8.290 nan 0.000 0.543 293 R N 0.223 120.803 120.500 0.134 0.000 2.080 293 R HA -0.055 4.284 4.340 -0.003 0.000 0.236 293 R C 2.483 178.819 176.300 0.060 0.000 1.137 293 R CA 1.384 57.535 56.100 0.085 0.000 0.943 293 R CB -0.295 30.031 30.300 0.044 0.000 0.846 293 R HN 0.234 nan 8.270 nan 0.000 0.431 294 E N 0.224 120.426 120.200 0.004 0.000 2.153 294 E HA -0.189 4.159 4.350 -0.003 0.000 0.194 294 E C 1.719 178.289 176.600 -0.049 0.000 0.988 294 E CA 0.940 57.217 56.400 -0.205 0.000 0.811 294 E CB -0.206 29.073 29.700 -0.702 0.000 0.746 294 E HN 0.279 nan 8.360 nan 0.000 0.466 295 F N 1.134 121.169 119.950 0.142 0.000 2.163 295 F HA -0.159 4.366 4.527 -0.003 0.000 0.297 295 F C 2.162 178.075 175.800 0.189 0.000 1.094 295 F CA 0.818 58.986 58.000 0.280 0.000 1.290 295 F CB -0.217 38.928 39.000 0.240 0.000 1.017 295 F HN -0.221 nan 8.300 nan 0.000 0.483 296 V N 0.901 120.881 119.914 0.110 0.000 2.261 296 V HA -0.315 3.804 4.120 -0.003 0.000 0.246 296 V C 2.820 178.913 176.094 -0.001 0.000 1.047 296 V CA 1.856 64.186 62.300 0.050 0.000 1.015 296 V CB -1.708 30.197 31.823 0.137 0.000 0.642 296 V HN 0.485 nan 8.190 nan 0.000 0.446 297 A N 0.215 123.036 122.820 0.002 0.000 1.884 297 A HA -0.260 4.058 4.320 -0.003 0.000 0.219 297 A C 2.431 179.994 177.584 -0.034 0.000 1.197 297 A CA 2.768 54.794 52.037 -0.017 0.000 0.637 297 A CB -1.024 17.953 19.000 -0.039 0.000 0.827 297 A HN 0.630 nan 8.150 nan 0.000 0.450 298 A N -1.916 120.872 122.820 -0.053 0.000 1.933 298 A HA 0.011 4.329 4.320 -0.003 0.000 0.218 298 A C 2.057 179.615 177.584 -0.043 0.000 1.175 298 A CA 1.677 53.698 52.037 -0.027 0.000 0.628 298 A CB -0.622 18.407 19.000 0.049 0.000 0.814 298 A HN 0.611 nan 8.150 nan 0.000 0.444 299 F N 1.101 120.827 119.950 -0.374 0.000 2.128 299 F HA -0.062 4.463 4.527 -0.003 0.000 0.295 299 F C 2.633 178.349 175.800 -0.141 0.000 1.100 299 F CA 1.435 59.214 58.000 -0.368 0.000 1.260 299 F CB -0.541 38.064 39.000 -0.658 0.000 1.009 299 F HN 0.195 nan 8.300 nan 0.000 0.476 300 S N -0.051 115.611 115.700 -0.064 0.000 2.359 300 S HA -0.319 4.150 4.470 -0.003 0.000 0.224 300 S C 2.027 176.590 174.600 -0.062 0.000 1.035 300 S CA 1.578 59.752 58.200 -0.044 0.000 1.018 300 S CB -0.618 62.600 63.200 0.031 0.000 0.876 300 S HN 0.558 nan 8.310 nan 0.000 0.448 301 Q N 0.571 120.343 119.800 -0.047 0.000 2.135 301 Q HA -0.134 4.204 4.340 -0.003 0.000 0.204 301 Q C 1.927 177.908 176.000 -0.031 0.000 0.981 301 Q CA 1.500 57.286 55.803 -0.028 0.000 0.856 301 Q CB -0.110 28.620 28.738 -0.014 0.000 0.902 301 Q HN 0.412 nan 8.270 nan 0.000 0.425 302 V N 0.583 120.455 119.914 -0.071 0.000 2.871 302 V HA -0.123 3.995 4.120 -0.003 0.000 0.256 302 V C 2.176 178.262 176.094 -0.013 0.000 1.082 302 V CA 1.257 63.528 62.300 -0.048 0.000 1.105 302 V CB -0.530 31.248 31.823 -0.075 0.000 0.713 302 V HN 0.455 nan 8.190 nan 0.000 0.473 303 A N 0.332 123.096 122.820 -0.094 0.000 1.969 303 A HA -0.143 4.176 4.320 -0.003 0.000 0.218 303 A C 2.392 180.081 177.584 0.175 0.000 1.169 303 A CA 1.453 53.550 52.037 0.102 0.000 0.635 303 A CB -0.236 18.795 19.000 0.053 0.000 0.810 303 A HN 0.540 nan 8.150 nan 0.000 0.445 304 R N -1.091 119.440 120.500 0.052 0.000 2.062 304 R HA 0.058 4.397 4.340 -0.003 0.000 0.218 304 R C 2.178 178.479 176.300 0.001 0.000 1.161 304 R CA 0.862 56.966 56.100 0.007 0.000 0.994 304 R CB -0.469 29.826 30.300 -0.010 0.000 0.888 304 R HN 0.606 nan 8.270 nan 0.000 0.442 305 E N 0.903 121.109 120.200 0.011 0.000 2.233 305 E HA -0.212 4.137 4.350 -0.003 0.000 0.199 305 E C 1.149 177.758 176.600 0.015 0.000 1.004 305 E CA 1.293 57.699 56.400 0.010 0.000 0.819 305 E CB 0.217 29.927 29.700 0.017 0.000 0.738 305 E HN 0.177 nan 8.360 nan 0.000 0.478 306 R N -1.034 119.496 120.500 0.051 0.000 2.549 306 R HA 0.178 4.516 4.340 -0.003 0.000 0.344 306 R C 0.641 176.849 176.300 -0.154 0.000 0.979 306 R CA 0.070 56.194 56.100 0.041 0.000 1.140 306 R CB 1.242 31.654 30.300 0.186 0.000 1.377 306 R HN 0.009 nan 8.270 nan 0.000 0.541 307 G N 2.542 111.239 108.800 -0.172 0.000 2.647 307 G HA2 0.110 4.068 3.960 -0.003 0.000 0.271 307 G HA3 0.110 4.068 3.960 -0.003 0.000 0.271 307 G C -1.996 172.624 174.900 -0.467 0.000 1.300 307 G CA -0.515 44.313 45.100 -0.453 0.000 0.997 307 G HN -0.026 nan 8.290 nan 0.000 0.533 308 P HA 0.464 nan 4.420 nan 0.000 0.282 308 P C -1.545 175.422 177.300 -0.556 0.000 1.259 308 P CA -0.459 62.405 63.100 -0.393 0.000 0.826 308 P CB 1.331 32.882 31.700 -0.249 0.000 1.064 309 F N 0.857 120.786 119.950 -0.035 0.000 2.513 309 F HA 0.414 4.939 4.527 -0.003 0.000 0.358 309 F C 1.816 177.656 175.800 0.068 0.000 1.118 309 F CA -0.682 57.386 58.000 0.114 0.000 1.037 309 F CB 1.541 40.734 39.000 0.321 0.000 1.276 309 F HN 0.294 nan 8.300 nan 0.000 0.446 310 R N 2.225 122.782 120.500 0.094 0.000 2.073 310 R HA -0.032 4.306 4.340 -0.003 0.000 0.234 310 R C -0.189 176.036 176.300 -0.124 0.000 1.134 310 R CA 1.456 57.444 56.100 -0.186 0.000 0.952 310 R CB 0.079 30.099 30.300 -0.467 0.000 0.850 310 R HN 0.330 nan 8.270 nan 0.000 0.433 311 F N 0.504 120.653 119.950 0.331 0.000 2.422 311 F HA 0.330 4.855 4.527 -0.003 0.000 0.333 311 F C -0.243 175.698 175.800 0.236 0.000 1.095 311 F CA -1.141 57.023 58.000 0.273 0.000 1.038 311 F CB 1.583 40.676 39.000 0.155 0.000 1.156 311 F HN -0.081 nan 8.300 nan 0.000 0.483 312 L N 3.611 125.005 121.223 0.284 0.000 2.324 312 L HA 0.729 5.067 4.340 -0.003 0.000 0.274 312 L C -0.320 176.552 176.870 0.004 0.000 1.012 312 L CA -0.662 54.136 54.840 -0.072 0.000 0.859 312 L CB 0.274 42.069 42.059 -0.440 0.000 1.224 312 L HN 0.646 nan 8.230 nan 0.000 0.429 313 A N 4.917 127.736 122.820 -0.002 0.000 2.401 313 A HA 0.626 4.944 4.320 -0.003 0.000 0.259 313 A C -0.231 177.306 177.584 -0.079 0.000 1.103 313 A CA -0.125 51.881 52.037 -0.052 0.000 0.789 313 A CB 0.265 19.216 19.000 -0.080 0.000 1.035 313 A HN 0.781 nan 8.150 nan 0.000 0.491 314 Q N 0.754 120.498 119.800 -0.095 0.000 2.423 314 Q HA 0.517 4.856 4.340 -0.003 0.000 0.278 314 Q C 0.301 176.247 176.000 -0.090 0.000 1.097 314 Q CA -0.469 55.284 55.803 -0.082 0.000 0.809 314 Q CB 2.224 30.930 28.738 -0.054 0.000 1.391 314 Q HN 0.815 nan 8.270 nan 0.000 0.428 315 G N 1.034 109.816 108.800 -0.030 0.000 3.562 315 G HA2 0.083 4.041 3.960 -0.003 0.000 0.279 315 G HA3 0.083 4.041 3.960 -0.003 0.000 0.279 315 G C 0.070 175.046 174.900 0.127 0.000 1.314 315 G CA -0.168 44.983 45.100 0.085 0.000 1.189 315 G HN 0.402 nan 8.290 nan 0.000 0.562 316 T N 1.311 115.901 114.554 0.060 0.000 2.933 316 T HA 0.209 4.557 4.350 -0.003 0.000 0.306 316 T C 0.426 175.202 174.700 0.127 0.000 1.045 316 T CA 0.561 62.702 62.100 0.068 0.000 1.143 316 T CB 0.992 69.884 68.868 0.041 0.000 1.003 316 T HN 0.079 nan 8.240 nan 0.000 0.540 317 L N 1.961 123.247 121.223 0.105 0.000 2.313 317 L HA 0.398 4.736 4.340 -0.003 0.000 0.268 317 L C 1.160 178.082 176.870 0.087 0.000 1.010 317 L CA -1.173 53.731 54.840 0.107 0.000 0.814 317 L CB 0.695 42.808 42.059 0.089 0.000 1.304 317 L HN 0.489 nan 8.230 nan 0.000 0.441 318 Y N 2.478 122.675 120.300 -0.172 0.000 2.114 318 Y HA -0.143 4.405 4.550 -0.003 0.000 0.282 318 Y C -0.783 175.014 175.900 -0.172 0.000 1.165 318 Y CA 1.541 59.486 58.100 -0.258 0.000 1.148 318 Y CB -1.299 36.812 38.460 -0.580 0.000 0.972 318 Y HN 0.433 nan 8.280 nan 0.000 0.504 319 P HA -0.130 nan 4.420 nan 0.000 0.218 319 P C 1.322 178.581 177.300 -0.068 0.000 1.148 319 P CA 2.153 65.202 63.100 -0.084 0.000 0.822 319 P CB 0.022 31.783 31.700 0.101 0.000 0.784 320 D N -0.808 119.579 120.400 -0.022 0.000 2.084 320 D HA -0.103 4.536 4.640 -0.003 0.000 0.194 320 D C 2.058 178.343 176.300 -0.024 0.000 0.990 320 D CA 1.142 55.137 54.000 -0.008 0.000 0.826 320 D CB -0.790 40.020 40.800 0.017 0.000 0.971 320 D HN -0.014 nan 8.370 nan 0.000 0.453 321 V N 1.935 121.841 119.914 -0.013 0.000 2.332 321 V HA -0.195 3.923 4.120 -0.003 0.000 0.248 321 V C 1.841 177.888 176.094 -0.078 0.000 1.055 321 V CA 0.947 63.247 62.300 -0.001 0.000 1.038 321 V CB -0.289 31.600 31.823 0.110 0.000 0.651 321 V HN 0.140 nan 8.190 nan 0.000 0.450 348 F N 1.501 121.458 119.950 0.011 0.000 2.641 348 F HA 0.405 4.930 4.527 -0.003 0.000 0.308 348 F C -0.720 175.093 175.800 0.021 0.000 1.105 348 F CA -0.656 57.357 58.000 0.021 0.000 0.964 348 F CB 2.099 41.140 39.000 0.069 0.000 1.294 348 F HN -0.100 nan 8.300 nan 0.000 0.442 349 E N 3.718 124.082 120.200 0.274 0.000 2.113 349 E HA 0.417 4.766 4.350 -0.003 0.000 0.273 349 E C -1.003 175.801 176.600 0.340 0.000 0.924 349 E CA -0.596 55.932 56.400 0.214 0.000 0.764 349 E CB 1.637 31.364 29.700 0.046 0.000 1.104 349 E HN 0.427 nan 8.360 nan 0.000 0.406 350 L N 3.792 125.157 121.223 0.236 0.000 2.410 350 L HA 0.129 4.468 4.340 -0.003 0.000 0.273 350 L C -0.274 176.687 176.870 0.151 0.000 1.152 350 L CA -0.277 54.663 54.840 0.166 0.000 0.855 350 L CB 0.195 42.313 42.059 0.099 0.000 1.129 350 L HN 0.332 nan 8.230 nan 0.000 0.463 351 L N 4.363 125.634 121.223 0.079 0.000 2.366 351 L HA 0.326 4.665 4.340 -0.003 0.000 0.266 351 L C -0.615 176.196 176.870 -0.099 0.000 1.010 351 L CA 0.002 54.821 54.840 -0.035 0.000 0.879 351 L CB 1.131 43.120 42.059 -0.116 0.000 1.228 351 L HN 0.519 nan 8.230 nan 0.000 0.439 352 E N 6.477 126.621 120.200 -0.094 0.000 2.546 352 E HA 0.315 4.663 4.350 -0.003 0.000 0.227 352 E C -1.917 174.586 176.600 -0.163 0.000 1.009 352 E CA -1.507 54.816 56.400 -0.127 0.000 0.813 352 E CB 0.797 30.471 29.700 -0.043 0.000 1.269 352 E HN 0.462 nan 8.360 nan 0.000 0.432 353 P HA -0.062 nan 4.420 nan 0.000 0.242 353 P C 0.065 177.307 177.300 -0.096 0.000 1.197 353 P CA 0.684 63.608 63.100 -0.293 0.000 0.765 353 P CB 0.145 31.577 31.700 -0.446 0.000 0.936 354 F N 0.228 120.177 119.950 -0.003 0.000 2.682 354 F HA 0.270 4.795 4.527 -0.003 0.000 0.308 354 F C 2.124 177.932 175.800 0.014 0.000 1.093 354 F CA -1.029 56.977 58.000 0.011 0.000 1.244 354 F CB -0.700 38.307 39.000 0.012 0.000 1.052 354 F HN -0.104 nan 8.300 nan 0.000 0.573 355 R N 0.858 121.455 120.500 0.162 0.000 2.316 355 R HA -0.116 4.222 4.340 -0.003 0.000 0.232 355 R C 0.700 177.055 176.300 0.092 0.000 1.137 355 R CA 1.377 57.549 56.100 0.120 0.000 1.012 355 R CB -0.742 29.608 30.300 0.084 0.000 0.859 355 R HN 0.340 nan 8.270 nan 0.000 0.474 356 L N 1.013 122.252 121.223 0.027 0.000 2.769 356 L HA 0.374 4.712 4.340 -0.003 0.000 0.240 356 L C 0.102 176.874 176.870 -0.164 0.000 1.163 356 L CA -0.271 54.444 54.840 -0.208 0.000 0.962 356 L CB 0.193 42.201 42.059 -0.084 0.000 1.258 356 L HN 0.068 nan 8.230 nan 0.000 0.513 357 L N -1.347 119.868 121.223 -0.012 0.000 2.303 357 L HA 0.548 4.887 4.340 -0.003 0.000 0.266 357 L C -0.739 176.058 176.870 -0.122 0.000 1.011 357 L CA -0.760 54.097 54.840 0.028 0.000 0.818 357 L CB 1.807 43.938 42.059 0.120 0.000 1.326 357 L HN -0.202 nan 8.230 nan 0.000 0.435 358 F N 0.120 120.186 119.950 0.193 0.000 2.403 358 F HA 0.311 4.836 4.527 -0.003 0.000 0.326 358 F C 1.183 177.029 175.800 0.076 0.000 1.081 358 F CA -0.529 57.559 58.000 0.147 0.000 1.041 358 F CB 1.151 40.238 39.000 0.145 0.000 1.234 358 F HN 0.397 nan 8.300 nan 0.000 0.503 359 K N 1.267 121.826 120.400 0.265 0.000 2.059 359 K HA -0.238 4.080 4.320 -0.003 0.000 0.212 359 K C 1.650 178.310 176.600 0.100 0.000 1.050 359 K CA 2.386 58.753 56.287 0.135 0.000 0.927 359 K CB -0.392 32.202 32.500 0.156 0.000 0.714 359 K HN 0.722 nan 8.250 nan 0.000 0.447 360 D N 0.122 120.608 120.400 0.143 0.000 2.182 360 D HA -0.213 4.425 4.640 -0.003 0.000 0.201 360 D C 1.207 177.549 176.300 0.070 0.000 0.986 360 D CA 1.498 55.553 54.000 0.092 0.000 0.847 360 D CB -0.408 40.441 40.800 0.081 0.000 0.942 360 D HN 0.551 nan 8.370 nan 0.000 0.467 361 E N 0.018 120.289 120.200 0.118 0.000 2.208 361 E HA -0.029 4.319 4.350 -0.003 0.000 0.193 361 E C 2.282 178.838 176.600 -0.073 0.000 0.988 361 E CA 0.354 56.796 56.400 0.071 0.000 0.828 361 E CB 0.267 30.096 29.700 0.216 0.000 0.763 361 E HN 0.163 nan 8.360 nan 0.000 0.478 362 V N 1.100 120.931 119.914 -0.138 0.000 2.548 362 V HA -0.179 3.939 4.120 -0.003 0.000 0.249 362 V C 2.138 178.116 176.094 -0.193 0.000 1.055 362 V CA 1.416 63.518 62.300 -0.331 0.000 1.065 362 V CB -0.366 31.184 31.823 -0.454 0.000 0.681 362 V HN 0.167 nan 8.190 nan 0.000 0.462 363 R N 0.037 120.482 120.500 -0.091 0.000 2.115 363 R HA -0.182 4.157 4.340 -0.003 0.000 0.230 363 R C 2.328 178.595 176.300 -0.056 0.000 1.111 363 R CA 1.462 57.532 56.100 -0.050 0.000 0.976 363 R CB -0.186 30.111 30.300 -0.005 0.000 0.870 363 R HN 0.459 nan 8.270 nan 0.000 0.445 364 E N 1.087 121.249 120.200 -0.064 0.000 2.152 364 E HA -0.093 4.255 4.350 -0.003 0.000 0.192 364 E C 1.747 178.291 176.600 -0.092 0.000 0.983 364 E CA 1.059 57.417 56.400 -0.071 0.000 0.818 364 E CB -0.079 29.577 29.700 -0.074 0.000 0.758 364 E HN 0.251 nan 8.360 nan 0.000 0.467 365 L N -0.306 120.846 121.223 -0.119 0.000 2.109 365 L HA 0.018 4.356 4.340 -0.003 0.000 0.207 365 L C 2.440 179.266 176.870 -0.074 0.000 1.086 365 L CA 0.876 55.650 54.840 -0.111 0.000 0.760 365 L CB -0.620 41.355 42.059 -0.140 0.000 0.910 365 L HN 0.190 nan 8.230 nan 0.000 0.437 366 A N 0.245 123.020 122.820 -0.075 0.000 2.024 366 A HA -0.238 4.080 4.320 -0.003 0.000 0.220 366 A C 2.185 179.750 177.584 -0.032 0.000 1.164 366 A CA 1.663 53.675 52.037 -0.041 0.000 0.643 366 A CB -0.541 18.436 19.000 -0.038 0.000 0.806 366 A HN 0.362 nan 8.150 nan 0.000 0.451 367 L N -0.947 120.251 121.223 -0.041 0.000 2.044 367 L HA -0.024 4.314 4.340 -0.003 0.000 0.205 367 L C 2.014 178.863 176.870 -0.036 0.000 1.075 367 L CA 1.718 56.536 54.840 -0.036 0.000 0.747 367 L CB -0.710 41.324 42.059 -0.040 0.000 0.903 367 L HN 0.223 nan 8.230 nan 0.000 0.435 368 L N -0.460 120.736 121.223 -0.045 0.000 2.191 368 L HA -0.115 4.223 4.340 -0.003 0.000 0.212 368 L C 2.172 179.025 176.870 -0.028 0.000 1.103 368 L CA 1.355 56.169 54.840 -0.043 0.000 0.769 368 L CB -0.808 41.216 42.059 -0.058 0.000 0.908 368 L HN 0.235 nan 8.230 nan 0.000 0.438 369 L N -0.524 120.686 121.223 -0.022 0.000 2.645 369 L HA 0.158 4.496 4.340 -0.003 0.000 0.235 369 L C 1.314 178.181 176.870 -0.006 0.000 1.150 369 L CA 0.421 55.256 54.840 -0.008 0.000 0.911 369 L CB -0.819 41.242 42.059 0.003 0.000 1.077 369 L HN 0.508 nan 8.230 nan 0.000 0.438 370 G N 0.939 109.732 108.800 -0.012 0.000 2.179 370 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.257 370 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.257 370 G C -0.008 174.888 174.900 -0.006 0.000 1.010 370 G CA 0.116 45.211 45.100 -0.009 0.000 0.736 370 G HN 0.255 nan 8.290 nan 0.000 0.513 371 L N 2.310 123.530 121.223 -0.006 0.000 2.367 371 L HA 0.533 4.871 4.340 -0.003 0.000 0.275 371 L C -1.090 175.774 176.870 -0.009 0.000 1.129 371 L CA -1.801 53.038 54.840 -0.003 0.000 0.839 371 L CB 0.324 42.383 42.059 -0.001 0.000 1.133 371 L HN 0.062 nan 8.230 nan 0.000 0.453 372 P HA 0.056 nan 4.420 nan 0.000 0.271 372 P C -0.361 176.927 177.300 -0.021 0.000 1.216 372 P CA -0.218 62.873 63.100 -0.016 0.000 0.776 372 P CB 0.758 32.448 31.700 -0.017 0.000 0.881 373 D N 1.142 121.527 120.400 -0.026 0.000 2.239 373 D HA -0.159 4.479 4.640 -0.003 0.000 0.202 373 D C 1.932 178.206 176.300 -0.044 0.000 0.993 373 D CA 2.087 56.069 54.000 -0.030 0.000 0.874 373 D CB -0.674 40.106 40.800 -0.033 0.000 0.922 373 D HN 0.545 nan 8.370 nan 0.000 0.464 374 T N -1.623 112.900 114.554 -0.052 0.000 2.737 374 T HA -0.155 4.193 4.350 -0.003 0.000 0.269 374 T C 1.996 176.658 174.700 -0.062 0.000 1.040 374 T CA 0.977 63.034 62.100 -0.072 0.000 1.142 374 T CB -0.298 68.532 68.868 -0.063 0.000 0.861 374 T HN 0.208 nan 8.240 nan 0.000 0.456 375 L N -0.788 120.416 121.223 -0.033 0.000 2.672 375 L HA 0.436 4.774 4.340 -0.003 0.000 0.236 375 L C 2.841 179.710 176.870 -0.002 0.000 1.092 375 L CA -0.144 54.687 54.840 -0.015 0.000 0.887 375 L CB -0.108 41.952 42.059 0.002 0.000 1.168 375 L HN 0.108 nan 8.230 nan 0.000 0.502 376 R N 0.930 121.427 120.500 -0.005 0.000 2.153 376 R HA 0.028 4.366 4.340 -0.003 0.000 0.218 376 R C 1.093 177.403 176.300 0.017 0.000 1.072 376 R CA 0.945 57.047 56.100 0.002 0.000 0.990 376 R CB 0.218 30.514 30.300 -0.006 0.000 0.889 376 R HN 0.301 nan 8.270 nan 0.000 0.452 377 L N 1.599 122.832 121.223 0.017 0.000 3.062 377 L HA 0.345 4.683 4.340 -0.003 0.000 0.255 377 L C -0.238 176.682 176.870 0.083 0.000 1.274 377 L CA -0.408 54.463 54.840 0.051 0.000 1.047 377 L CB 0.465 42.548 42.059 0.040 0.000 1.402 377 L HN -0.011 nan 8.230 nan 0.000 0.550 378 R N -0.596 119.944 120.500 0.067 0.000 2.459 378 R HA 0.350 4.688 4.340 -0.003 0.000 0.281 378 R C -0.320 176.066 176.300 0.144 0.000 1.050 378 R CA -0.893 55.258 56.100 0.085 0.000 1.055 378 R CB 0.903 31.230 30.300 0.046 0.000 1.045 378 R HN 0.097 nan 8.270 nan 0.000 0.495 379 H N 2.135 121.326 119.070 0.201 0.000 2.679 379 H HA 0.115 4.669 4.556 -0.003 0.000 0.369 379 H C -1.753 173.641 175.328 0.110 0.000 1.178 379 H CA -1.867 54.236 56.048 0.092 0.000 1.419 379 H CB -0.258 29.489 29.762 -0.024 0.000 1.458 379 H HN 0.382 nan 8.280 nan 0.000 0.605 380 P HA 0.067 nan 4.420 nan 0.000 0.269 380 P C -0.720 176.687 177.300 0.179 0.000 1.215 380 P CA 0.120 63.263 63.100 0.073 0.000 0.780 380 P CB 0.540 32.130 31.700 -0.184 0.000 0.898 381 F N 2.842 122.765 119.950 -0.044 0.000 2.561 381 F HA 0.413 4.939 4.527 -0.002 0.000 0.313 381 F C -2.248 173.514 175.800 -0.063 0.000 1.126 381 F CA -2.532 55.453 58.000 -0.024 0.000 0.918 381 F CB 1.445 40.450 39.000 0.009 0.000 1.199 381 F HN 0.202 nan 8.300 nan 0.000 0.444 382 P HA 0.214 nan 4.420 nan 0.000 0.272 382 P C 0.520 177.614 177.300 -0.343 0.000 1.223 382 P CA -0.023 62.840 63.100 -0.395 0.000 0.784 382 P CB 1.171 32.644 31.700 -0.379 0.000 0.923 383 G N 2.291 110.954 108.800 -0.227 0.000 2.440 383 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.218 383 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.218 383 G C -0.957 173.901 174.900 -0.070 0.000 1.154 383 G CA 0.619 45.604 45.100 -0.193 0.000 0.767 383 G HN 0.450 nan 8.290 nan 0.000 0.552 384 P HA 0.129 nan 4.420 nan 0.000 0.234 384 P C 1.518 178.710 177.300 -0.180 0.000 1.167 384 P CA 0.913 63.964 63.100 -0.082 0.000 0.763 384 P CB -0.041 31.609 31.700 -0.083 0.000 0.835 385 G N 0.620 109.250 108.800 -0.283 0.000 2.594 385 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.297 385 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.297 385 G C 0.808 175.529 174.900 -0.299 0.000 1.273 385 G CA 0.220 45.069 45.100 -0.418 0.000 0.974 385 G HN 0.267 nan 8.290 nan 0.000 0.552 386 L N 1.297 122.483 121.223 -0.060 0.000 2.633 386 L HA 0.111 4.449 4.340 -0.003 0.000 0.235 386 L C 3.220 180.051 176.870 -0.065 0.000 1.163 386 L CA 1.235 56.066 54.840 -0.015 0.000 0.859 386 L CB -0.831 41.263 42.059 0.057 0.000 0.973 386 L HN 0.715 nan 8.230 nan 0.000 0.451 387 A N 0.481 123.239 122.820 -0.104 0.000 1.969 387 A HA -0.114 4.204 4.320 -0.003 0.000 0.218 387 A C 2.070 179.627 177.584 -0.044 0.000 1.169 387 A CA 1.628 53.625 52.037 -0.067 0.000 0.635 387 A CB -0.538 18.421 19.000 -0.068 0.000 0.810 387 A HN 0.334 nan 8.150 nan 0.000 0.445 388 V N -3.785 116.090 119.914 -0.066 0.000 3.646 388 V HA 0.260 4.378 4.120 -0.003 0.000 0.277 388 V C 1.098 177.179 176.094 -0.023 0.000 1.274 388 V CA 0.597 62.875 62.300 -0.037 0.000 1.164 388 V CB -0.790 31.000 31.823 -0.055 0.000 0.926 388 V HN 0.453 nan 8.190 nan 0.000 0.442 389 R N -0.223 120.252 120.500 -0.042 0.000 2.577 389 R HA 0.469 4.807 4.340 -0.003 0.000 0.344 389 R C -0.635 175.626 176.300 -0.065 0.000 1.037 389 R CA -0.076 55.989 56.100 -0.058 0.000 1.102 389 R CB 1.593 31.860 30.300 -0.056 0.000 1.313 389 R HN 0.426 nan 8.270 nan 0.000 0.561 390 V N 2.132 122.029 119.914 -0.029 0.000 2.349 390 V HA 0.180 4.298 4.120 -0.003 0.000 0.284 390 V C -0.382 175.727 176.094 0.025 0.000 1.014 390 V CA -0.789 61.501 62.300 -0.017 0.000 0.826 390 V CB 1.711 33.527 31.823 -0.012 0.000 1.009 390 V HN 0.145 nan 8.190 nan 0.000 0.431 391 L N 6.149 127.398 121.223 0.044 0.000 2.505 391 L HA 0.625 4.963 4.340 -0.003 0.000 0.279 391 L C 0.844 177.762 176.870 0.080 0.000 1.211 391 L CA 1.608 56.502 54.840 0.089 0.000 1.059 391 L CB -0.637 41.500 42.059 0.131 0.000 1.340 391 L HN 0.949 nan 8.230 nan 0.000 0.447 392 G N 2.683 111.523 108.800 0.065 0.000 2.325 392 G HA2 0.009 3.967 3.960 -0.003 0.000 0.285 392 G HA3 0.009 3.967 3.960 -0.003 0.000 0.285 392 G C -0.942 173.988 174.900 0.050 0.000 1.303 392 G CA -0.380 44.756 45.100 0.060 0.000 0.970 392 G HN 0.599 nan 8.290 nan 0.000 0.490 393 E N -0.544 119.685 120.200 0.049 0.000 2.354 393 E HA 0.518 4.866 4.350 -0.003 0.000 0.269 393 E C 0.055 176.680 176.600 0.041 0.000 1.036 393 E CA -0.791 55.634 56.400 0.043 0.000 0.876 393 E CB 1.538 31.262 29.700 0.041 0.000 1.009 393 E HN 0.459 nan 8.360 nan 0.000 0.416 394 V N 3.245 123.179 119.914 0.033 0.000 2.686 394 V HA 0.320 4.438 4.120 -0.003 0.000 0.295 394 V C 0.469 176.581 176.094 0.030 0.000 1.055 394 V CA 0.369 62.683 62.300 0.024 0.000 1.050 394 V CB 0.917 32.750 31.823 0.016 0.000 0.984 394 V HN 0.988 nan 8.190 nan 0.000 0.482 395 T N 0.053 114.621 114.554 0.023 0.000 2.843 395 T HA 0.420 4.768 4.350 -0.003 0.000 0.302 395 T C 0.414 175.124 174.700 0.016 0.000 1.232 395 T CA -0.553 61.564 62.100 0.028 0.000 1.009 395 T CB 1.975 70.866 68.868 0.040 0.000 1.254 395 T HN 0.420 nan 8.240 nan 0.000 0.504 396 E N 0.594 120.807 120.200 0.021 0.000 2.077 396 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 396 E C 1.820 178.420 176.600 0.001 0.000 0.989 396 E CA 1.893 58.301 56.400 0.014 0.000 0.800 396 E CB -0.169 29.545 29.700 0.022 0.000 0.746 396 E HN 0.813 nan 8.360 nan 0.000 0.452 397 E N -0.143 120.062 120.200 0.008 0.000 2.031 397 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 397 E C 2.184 178.754 176.600 -0.050 0.000 0.994 397 E CA 1.032 57.431 56.400 -0.002 0.000 0.800 397 E CB -0.024 29.695 29.700 0.032 0.000 0.752 397 E HN 0.132 nan 8.360 nan 0.000 0.447 398 R N -0.114 120.353 120.500 -0.055 0.000 2.105 398 R HA -0.160 4.178 4.340 -0.003 0.000 0.239 398 R C 2.420 178.636 176.300 -0.141 0.000 1.135 398 R CA 0.940 56.948 56.100 -0.154 0.000 0.967 398 R CB -0.254 29.999 30.300 -0.078 0.000 0.861 398 R HN 0.189 nan 8.270 nan 0.000 0.442 399 L N 1.245 122.426 121.223 -0.071 0.000 2.046 399 L HA -0.153 4.185 4.340 -0.003 0.000 0.208 399 L C 1.910 178.748 176.870 -0.053 0.000 1.077 399 L CA 1.758 56.567 54.840 -0.052 0.000 0.747 399 L CB -0.338 41.706 42.059 -0.025 0.000 0.896 399 L HN 0.153 nan 8.230 nan 0.000 0.432 400 E N -0.847 119.322 120.200 -0.051 0.000 2.106 400 E HA -0.186 4.162 4.350 -0.003 0.000 0.192 400 E C 2.280 178.841 176.600 -0.065 0.000 0.984 400 E CA 1.019 57.393 56.400 -0.043 0.000 0.806 400 E CB -0.041 29.642 29.700 -0.028 0.000 0.750 400 E HN 0.444 nan 8.360 nan 0.000 0.458 401 I N 0.772 121.273 120.570 -0.116 0.000 2.202 401 I HA -0.233 3.935 4.170 -0.003 0.000 0.242 401 I C 2.515 178.552 176.117 -0.134 0.000 1.091 401 I CA 0.750 61.956 61.300 -0.156 0.000 1.368 401 I CB -0.360 37.445 38.000 -0.326 0.000 1.058 401 I HN 0.185 nan 8.210 nan 0.000 0.410 402 L N 1.142 122.281 121.223 -0.140 0.000 2.017 402 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 402 L C 2.668 179.518 176.870 -0.034 0.000 1.073 402 L CA 1.783 56.567 54.840 -0.093 0.000 0.745 402 L CB -0.811 41.197 42.059 -0.086 0.000 0.894 402 L HN 0.062 nan 8.230 nan 0.000 0.432 403 R N -0.943 119.543 120.500 -0.024 0.000 2.117 403 R HA -0.187 4.151 4.340 -0.003 0.000 0.243 403 R C 2.388 178.689 176.300 0.003 0.000 1.143 403 R CA 1.865 57.965 56.100 -0.000 0.000 0.968 403 R CB -0.108 30.189 30.300 -0.005 0.000 0.863 403 R HN 0.345 nan 8.270 nan 0.000 0.444 404 R N -0.812 119.682 120.500 -0.010 0.000 2.119 404 R HA 0.020 4.359 4.340 -0.003 0.000 0.222 404 R C 2.175 178.482 176.300 0.011 0.000 1.088 404 R CA 1.133 57.233 56.100 -0.002 0.000 0.984 404 R CB -0.104 30.189 30.300 -0.012 0.000 0.884 404 R HN 0.194 nan 8.270 nan 0.000 0.447 405 A N 0.889 123.708 122.820 -0.001 0.000 1.872 405 A HA -0.205 4.113 4.320 -0.003 0.000 0.214 405 A C 1.761 179.388 177.584 0.072 0.000 1.187 405 A CA 1.787 53.828 52.037 0.007 0.000 0.614 405 A CB -0.574 18.402 19.000 -0.038 0.000 0.826 405 A HN 0.314 nan 8.150 nan 0.000 0.442 406 D N -0.394 120.055 120.400 0.082 0.000 2.149 406 D HA -0.213 4.425 4.640 -0.003 0.000 0.198 406 D C 1.604 178.005 176.300 0.169 0.000 0.990 406 D CA 1.650 55.745 54.000 0.159 0.000 0.839 406 D CB -0.144 40.730 40.800 0.124 0.000 0.948 406 D HN 0.502 nan 8.370 nan 0.000 0.460 407 D N -0.652 119.806 120.400 0.097 0.000 2.097 407 D HA -0.129 4.510 4.640 -0.003 0.000 0.195 407 D C 2.049 178.410 176.300 0.102 0.000 0.989 407 D CA 1.145 55.188 54.000 0.071 0.000 0.827 407 D CB -0.154 40.665 40.800 0.033 0.000 0.966 407 D HN 0.339 nan 8.370 nan 0.000 0.456 408 I N -0.247 120.391 120.570 0.113 0.000 2.226 408 I HA -0.188 3.980 4.170 -0.003 0.000 0.245 408 I C 2.043 178.297 176.117 0.229 0.000 1.100 408 I CA 0.569 61.945 61.300 0.127 0.000 1.374 408 I CB -0.369 37.681 38.000 0.084 0.000 1.057 408 I HN 0.085 nan 8.210 nan 0.000 0.413 409 F N 1.911 121.906 119.950 0.076 0.000 2.102 409 F HA -0.229 4.297 4.527 -0.003 0.000 0.298 409 F C 2.590 178.519 175.800 0.216 0.000 1.105 409 F CA 1.988 60.069 58.000 0.134 0.000 1.239 409 F CB -1.036 38.041 39.000 0.128 0.000 0.991 409 F HN -0.017 nan 8.300 nan 0.000 0.474 410 T N -0.216 114.438 114.554 0.167 0.000 2.652 410 T HA -0.191 4.157 4.350 -0.003 0.000 0.267 410 T C 2.268 177.018 174.700 0.082 0.000 1.039 410 T CA 1.930 64.080 62.100 0.083 0.000 1.153 410 T CB -0.608 68.309 68.868 0.083 0.000 0.863 410 T HN 0.249 nan 8.240 nan 0.000 0.428 411 S N 1.309 117.063 115.700 0.091 0.000 2.356 411 S HA 0.015 4.483 4.470 -0.003 0.000 0.223 411 S C 2.076 176.776 174.600 0.167 0.000 1.032 411 S CA 0.914 59.162 58.200 0.080 0.000 1.005 411 S CB -0.541 62.702 63.200 0.070 0.000 0.867 411 S HN 0.330 nan 8.310 nan 0.000 0.449 412 L N 0.975 122.349 121.223 0.252 0.000 2.046 412 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 412 L C 2.311 179.512 176.870 0.552 0.000 1.077 412 L CA 1.082 56.169 54.840 0.412 0.000 0.747 412 L CB -0.582 41.674 42.059 0.329 0.000 0.896 412 L HN 0.300 nan 8.230 nan 0.000 0.432 413 L N -0.691 120.768 121.223 0.394 0.000 2.042 413 L HA -0.244 4.094 4.340 -0.003 0.000 0.210 413 L C 2.863 179.852 176.870 0.199 0.000 1.076 413 L CA 1.412 56.364 54.840 0.186 0.000 0.749 413 L CB -0.443 41.634 42.059 0.031 0.000 0.893 413 L HN 0.223 nan 8.230 nan 0.000 0.432 414 R N -0.284 120.306 120.500 0.151 0.000 2.066 414 R HA -0.207 4.131 4.340 -0.003 0.000 0.232 414 R C 2.232 178.582 176.300 0.085 0.000 1.131 414 R CA 1.607 57.733 56.100 0.044 0.000 0.955 414 R CB -0.351 29.876 30.300 -0.122 0.000 0.851 414 R HN 0.397 nan 8.270 nan 0.000 0.432 415 E N 0.018 120.305 120.200 0.144 0.000 2.085 415 E HA -0.215 4.133 4.350 -0.003 0.000 0.194 415 E C 1.117 177.767 176.600 0.084 0.000 0.994 415 E CA 1.207 57.674 56.400 0.111 0.000 0.801 415 E CB -0.041 29.757 29.700 0.163 0.000 0.743 415 E HN 0.370 nan 8.360 nan 0.000 0.453 416 W N 0.056 121.407 121.300 0.085 0.000 3.180 416 W HA 0.272 4.931 4.660 -0.002 0.000 0.254 416 W C 1.193 177.703 176.519 -0.014 0.000 1.318 416 W CA 0.925 58.305 57.345 0.058 0.000 1.608 416 W CB 0.318 29.844 29.460 0.110 0.000 1.124 416 W HN 0.308 nan 8.180 nan 0.000 0.694 417 G N 0.508 109.390 108.800 0.137 0.000 2.176 417 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.252 417 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.252 417 G C 0.580 175.516 174.900 0.060 0.000 1.024 417 G CA 0.494 45.638 45.100 0.073 0.000 0.755 417 G HN 0.373 nan 8.290 nan 0.000 0.507 418 L N -1.951 119.296 121.223 0.040 0.000 2.470 418 L HA 0.232 4.570 4.340 -0.003 0.000 0.219 418 L C 2.245 179.112 176.870 -0.006 0.000 1.071 418 L CA 0.360 55.161 54.840 -0.066 0.000 0.850 418 L CB -0.265 41.605 42.059 -0.314 0.000 1.040 418 L HN 0.294 nan 8.230 nan 0.000 0.475 419 Y N 1.872 122.140 120.300 -0.052 0.000 2.114 419 Y HA -0.300 4.248 4.550 -0.002 0.000 0.282 419 Y C 2.425 178.405 175.900 0.133 0.000 1.165 419 Y CA 1.803 59.920 58.100 0.029 0.000 1.148 419 Y CB 0.209 38.642 38.460 -0.045 0.000 0.972 419 Y HN 0.143 nan 8.280 nan 0.000 0.504 420 E N 0.155 120.509 120.200 0.257 0.000 2.418 420 E HA -0.111 4.238 4.350 -0.003 0.000 0.197 420 E C 1.370 178.009 176.600 0.064 0.000 1.026 420 E CA 0.877 57.386 56.400 0.182 0.000 0.862 420 E CB -0.122 29.657 29.700 0.131 0.000 0.799 420 E HN 0.560 nan 8.360 nan 0.000 0.518 421 K N 0.764 121.170 120.400 0.009 0.000 2.417 421 K HA 0.083 4.402 4.320 -0.003 0.000 0.196 421 K C 0.539 177.079 176.600 -0.100 0.000 1.023 421 K CA -0.030 56.228 56.287 -0.047 0.000 1.122 421 K CB 0.730 33.197 32.500 -0.055 0.000 0.850 421 K HN -0.035 nan 8.250 nan 0.000 0.521 422 V N -4.569 115.260 119.914 -0.142 0.000 3.040 422 V HA 0.622 4.740 4.120 -0.003 0.000 0.312 422 V C 0.534 176.381 176.094 -0.411 0.000 1.115 422 V CA -0.830 61.326 62.300 -0.239 0.000 0.998 422 V CB 1.757 33.440 31.823 -0.234 0.000 1.042 422 V HN -0.092 nan 8.190 nan 0.000 0.433 423 A N 1.399 123.989 122.820 -0.382 0.000 2.021 423 A HA 0.317 4.635 4.320 -0.003 0.000 0.216 423 A C 0.906 178.180 177.584 -0.517 0.000 1.163 423 A CA 1.150 52.962 52.037 -0.375 0.000 0.676 423 A CB -0.137 18.653 19.000 -0.349 0.000 0.818 423 A HN 1.012 nan 8.150 nan 0.000 0.453 424 Q N -2.341 117.162 119.800 -0.495 0.000 2.438 424 Q HA 0.565 4.903 4.340 -0.003 0.000 0.272 424 Q C -1.970 173.942 176.000 -0.147 0.000 0.994 424 Q CA -0.287 55.323 55.803 -0.322 0.000 0.887 424 Q CB 1.922 30.725 28.738 0.108 0.000 1.432 424 Q HN 0.469 nan 8.270 nan 0.000 0.392 425 A N 2.425 125.239 122.820 -0.010 0.000 2.449 425 A HA 0.899 5.217 4.320 -0.003 0.000 0.302 425 A C -1.688 176.053 177.584 0.262 0.000 1.048 425 A CA -0.478 51.635 52.037 0.126 0.000 0.708 425 A CB 1.057 19.996 19.000 -0.102 0.000 1.274 425 A HN 0.635 nan 8.150 nan 0.000 0.410 426 L N -1.527 119.930 121.223 0.390 0.000 2.671 426 L HA 1.023 5.361 4.340 -0.003 0.000 0.259 426 L C -0.520 176.513 176.870 0.271 0.000 1.021 426 L CA -0.652 54.379 54.840 0.319 0.000 0.871 426 L CB 1.512 43.688 42.059 0.195 0.000 1.472 426 L HN 1.362 nan 8.230 nan 0.000 0.410 427 A N 0.893 123.794 122.820 0.134 0.000 2.371 427 A HA 0.907 5.225 4.320 -0.003 0.000 0.311 427 A C -1.135 176.348 177.584 -0.169 0.000 1.068 427 A CA -0.719 51.289 52.037 -0.049 0.000 0.744 427 A CB 1.860 20.853 19.000 -0.013 0.000 1.239 427 A HN 0.754 nan 8.150 nan 0.000 0.435 428 V N 2.495 122.189 119.914 -0.368 0.000 2.495 428 V HA 0.431 4.550 4.120 -0.003 0.000 0.298 428 V C -0.644 175.246 176.094 -0.341 0.000 1.031 428 V CA -0.531 61.495 62.300 -0.456 0.000 0.871 428 V CB 1.459 32.682 31.823 -1.000 0.000 0.988 428 V HN 0.795 nan 8.190 nan 0.000 0.432 429 L N 4.662 125.761 121.223 -0.208 0.000 2.255 429 L HA 0.545 4.884 4.340 -0.003 0.000 0.289 429 L C 0.293 177.142 176.870 -0.034 0.000 1.046 429 L CA 0.665 55.428 54.840 -0.129 0.000 0.816 429 L CB 1.238 43.205 42.059 -0.154 0.000 1.197 429 L HN 0.748 nan 8.230 nan 0.000 0.427 430 T N 7.131 121.698 114.554 0.022 0.000 2.781 430 T HA 0.392 4.740 4.350 -0.003 0.000 0.305 430 T C -2.515 172.297 174.700 0.188 0.000 1.001 430 T CA -1.076 61.081 62.100 0.095 0.000 0.950 430 T CB 0.858 69.776 68.868 0.084 0.000 0.955 430 T HN 0.380 nan 8.240 nan 0.000 0.471 431 P HA 0.285 nan 4.420 nan 0.000 0.271 431 P C -0.447 176.839 177.300 -0.024 0.000 1.233 431 P CA -0.179 62.995 63.100 0.124 0.000 0.764 431 P CB 0.812 32.609 31.700 0.163 0.000 0.825 446 Y N 0.724 121.016 120.300 -0.013 0.000 2.433 446 Y HA 0.597 5.146 4.550 -0.003 0.000 0.337 446 Y C -0.088 175.795 175.900 -0.027 0.000 1.026 446 Y CA -1.034 57.053 58.100 -0.020 0.000 1.037 446 Y CB 2.707 41.152 38.460 -0.025 0.000 1.245 446 Y HN 0.416 nan 8.280 nan 0.000 0.443 447 V N 4.790 124.783 119.914 0.132 0.000 2.398 447 V HA 0.427 4.546 4.120 -0.003 0.000 0.286 447 V C -0.772 175.330 176.094 0.013 0.000 1.026 447 V CA -0.711 61.621 62.300 0.054 0.000 0.868 447 V CB 1.702 33.550 31.823 0.041 0.000 0.982 447 V HN 0.588 nan 8.190 nan 0.000 0.443 448 L N 5.066 126.268 121.223 -0.035 0.000 2.307 448 L HA 0.863 5.202 4.340 -0.003 0.000 0.284 448 L C 0.203 176.979 176.870 -0.157 0.000 1.023 448 L CA -0.017 54.756 54.840 -0.112 0.000 0.810 448 L CB 1.454 43.447 42.059 -0.109 0.000 1.231 448 L HN 0.714 nan 8.230 nan 0.000 0.423 449 A N 6.420 129.073 122.820 -0.278 0.000 2.258 449 A HA 0.611 4.929 4.320 -0.003 0.000 0.316 449 A C -0.742 176.675 177.584 -0.279 0.000 1.279 449 A CA -0.576 51.285 52.037 -0.293 0.000 0.876 449 A CB 0.220 18.862 19.000 -0.598 0.000 1.170 449 A HN 0.734 nan 8.150 nan 0.000 0.520 450 L N 1.981 123.110 121.223 -0.155 0.000 2.371 450 L HA 0.656 4.994 4.340 -0.003 0.000 0.272 450 L C 0.431 177.351 176.870 0.084 0.000 1.124 450 L CA -0.487 54.244 54.840 -0.181 0.000 0.816 450 L CB 1.060 42.928 42.059 -0.319 0.000 1.129 450 L HN 0.821 nan 8.230 nan 0.000 0.448 451 R N 2.931 123.566 120.500 0.226 0.000 2.512 451 R HA 0.731 5.069 4.340 -0.003 0.000 0.291 451 R C -1.868 174.672 176.300 0.400 0.000 1.097 451 R CA -0.252 55.986 56.100 0.229 0.000 0.940 451 R CB 1.641 32.037 30.300 0.160 0.000 1.198 451 R HN 0.665 nan 8.270 nan 0.000 0.429 452 A N 3.257 126.314 122.820 0.396 0.000 2.449 452 A HA 0.799 5.117 4.320 -0.003 0.000 0.302 452 A C -1.102 176.612 177.584 0.218 0.000 1.048 452 A CA -0.164 52.065 52.037 0.319 0.000 0.708 452 A CB 1.657 20.890 19.000 0.388 0.000 1.274 452 A HN 1.110 nan 8.150 nan 0.000 0.410 453 V N -1.137 118.831 119.914 0.090 0.000 3.181 453 V HA 0.972 5.090 4.120 -0.003 0.000 0.308 453 V C -0.403 175.639 176.094 -0.087 0.000 1.214 453 V CA -0.187 62.133 62.300 0.033 0.000 1.053 453 V CB 1.642 33.493 31.823 0.046 0.000 1.069 453 V HN 1.490 nan 8.190 nan 0.000 0.441 454 T N -0.757 113.720 114.554 -0.128 0.000 2.812 454 T HA 0.789 5.137 4.350 -0.003 0.000 0.282 454 T C -0.373 174.182 174.700 -0.242 0.000 0.990 454 T CA -0.252 61.730 62.100 -0.196 0.000 0.960 454 T CB 1.312 70.070 68.868 -0.184 0.000 0.948 454 T HN 1.412 nan 8.240 nan 0.000 0.438 455 T N 0.722 115.069 114.554 -0.345 0.000 2.821 455 T HA 0.447 4.795 4.350 -0.003 0.000 0.306 455 T C 0.266 174.717 174.700 -0.416 0.000 1.313 455 T CA -0.416 61.437 62.100 -0.411 0.000 1.012 455 T CB 2.286 70.782 68.868 -0.619 0.000 1.298 455 T HN 0.761 nan 8.240 nan 0.000 0.502 456 E N 0.978 120.978 120.200 -0.332 0.000 2.201 456 E HA 0.103 4.451 4.350 -0.003 0.000 0.193 456 E C 0.900 177.359 176.600 -0.235 0.000 0.957 456 E CA 1.450 57.695 56.400 -0.259 0.000 0.858 456 E CB 0.318 29.896 29.700 -0.202 0.000 0.816 456 E HN 0.671 nan 8.360 nan 0.000 0.475 457 D N -1.476 118.791 120.400 -0.222 0.000 2.497 457 D HA 0.031 4.669 4.640 -0.003 0.000 0.256 457 D C -0.188 176.153 176.300 0.069 0.000 1.273 457 D CA -0.481 53.490 54.000 -0.047 0.000 0.812 457 D CB -0.617 40.165 40.800 -0.030 0.000 1.190 457 D HN 0.070 nan 8.370 nan 0.000 0.524 461 A N 1.791 124.585 122.820 -0.043 0.000 2.583 461 A HA 0.657 4.975 4.320 -0.003 0.000 0.298 461 A C -2.211 175.360 177.584 -0.021 0.000 1.055 461 A CA -0.814 51.186 52.037 -0.062 0.000 0.714 461 A CB 1.330 20.309 19.000 -0.036 0.000 1.277 461 A HN 0.629 nan 8.150 nan 0.000 0.406 462 D N 2.605 122.973 120.400 -0.053 0.000 2.185 462 D HA 0.426 5.064 4.640 -0.003 0.000 0.247 462 D C 0.016 176.318 176.300 0.004 0.000 1.027 462 D CA 0.047 54.022 54.000 -0.042 0.000 0.861 462 D CB 1.189 41.896 40.800 -0.156 0.000 1.202 462 D HN 0.674 nan 8.370 nan 0.000 0.453 463 W N 0.837 122.126 121.300 -0.019 0.000 2.251 463 W HA 0.484 5.142 4.660 -0.003 0.000 0.327 463 W C -0.494 176.053 176.519 0.047 0.000 1.361 463 W CA -1.155 56.187 57.345 -0.005 0.000 1.234 463 W CB -0.201 29.233 29.460 -0.043 0.000 1.212 463 W HN 0.205 nan 8.180 nan 0.000 0.557 464 A N 5.962 128.886 122.820 0.173 0.000 2.454 464 A HA 0.231 4.549 4.320 -0.003 0.000 0.260 464 A C 0.666 178.280 177.584 0.049 0.000 1.106 464 A CA -0.585 51.470 52.037 0.031 0.000 0.780 464 A CB 0.186 19.251 19.000 0.108 0.000 1.044 464 A HN 0.551 nan 8.150 nan 0.000 0.498 465 R N 3.428 123.773 120.500 -0.258 0.000 4.164 465 R HA 0.157 4.495 4.340 -0.003 0.000 0.195 465 R C -0.388 175.893 176.300 -0.030 0.000 1.712 465 R CA -0.008 55.954 56.100 -0.229 0.000 1.457 465 R CB -1.195 28.899 30.300 -0.343 0.000 1.387 465 R HN 0.678 nan 8.270 nan 0.000 0.785 466 L N 2.314 123.572 121.223 0.059 0.000 2.483 466 L HA 0.116 4.454 4.340 -0.003 0.000 0.276 466 L C -1.551 175.316 176.870 -0.006 0.000 1.213 466 L CA -1.580 53.242 54.840 -0.029 0.000 0.843 466 L CB -0.153 41.875 42.059 -0.052 0.000 1.107 466 L HN 0.016 nan 8.230 nan 0.000 0.487 467 P HA 0.007 nan 4.420 nan 0.000 0.266 467 P C 0.705 178.019 177.300 0.022 0.000 1.195 467 P CA -0.018 63.089 63.100 0.011 0.000 0.768 467 P CB 0.545 32.248 31.700 0.006 0.000 0.838 468 L N 1.663 122.897 121.223 0.018 0.000 2.083 468 L HA -0.179 4.159 4.340 -0.003 0.000 0.209 468 L C 2.277 179.121 176.870 -0.044 0.000 1.083 468 L CA 1.492 56.332 54.840 -0.000 0.000 0.752 468 L CB -0.569 41.502 42.059 0.020 0.000 0.899 468 L HN 0.546 nan 8.230 nan 0.000 0.433 469 E N 0.376 120.549 120.200 -0.044 0.000 2.106 469 E HA -0.263 4.085 4.350 -0.003 0.000 0.192 469 E C 2.162 178.625 176.600 -0.228 0.000 0.984 469 E CA 1.269 57.615 56.400 -0.089 0.000 0.806 469 E CB -0.074 29.607 29.700 -0.031 0.000 0.750 469 E HN 0.433 nan 8.360 nan 0.000 0.458 470 F N 1.321 121.019 119.950 -0.420 0.000 2.146 470 F HA -0.114 4.411 4.527 -0.003 0.000 0.298 470 F C 2.111 177.700 175.800 -0.352 0.000 1.096 470 F CA 1.160 58.800 58.000 -0.600 0.000 1.275 470 F CB -0.237 38.406 39.000 -0.595 0.000 1.008 470 F HN -0.041 nan 8.300 nan 0.000 0.480 471 L N 0.044 121.101 121.223 -0.278 0.000 2.131 471 L HA -0.191 4.147 4.340 -0.003 0.000 0.210 471 L C 2.099 178.779 176.870 -0.315 0.000 1.092 471 L CA 1.632 56.285 54.840 -0.311 0.000 0.759 471 L CB -0.846 41.086 42.059 -0.212 0.000 0.903 471 L HN 0.183 nan 8.230 nan 0.000 0.435 472 D N 0.209 120.458 120.400 -0.252 0.000 2.097 472 D HA -0.250 4.389 4.640 -0.003 0.000 0.197 472 D C 2.119 178.282 176.300 -0.228 0.000 0.984 472 D CA 1.303 55.192 54.000 -0.186 0.000 0.826 472 D CB 0.133 40.858 40.800 -0.124 0.000 0.973 472 D HN 0.261 nan 8.370 nan 0.000 0.460 473 E N -0.548 119.460 120.200 -0.320 0.000 2.085 473 E HA -0.215 4.134 4.350 -0.003 0.000 0.194 473 E C 1.989 178.394 176.600 -0.325 0.000 0.994 473 E CA 1.071 57.294 56.400 -0.296 0.000 0.801 473 E CB -0.198 29.286 29.700 -0.361 0.000 0.743 473 E HN 0.337 nan 8.360 nan 0.000 0.453 474 A N 1.099 123.610 122.820 -0.514 0.000 1.902 474 A HA -0.113 4.205 4.320 -0.003 0.000 0.217 474 A C 2.381 179.827 177.584 -0.231 0.000 1.181 474 A CA 1.852 53.657 52.037 -0.386 0.000 0.623 474 A CB -0.773 17.939 19.000 -0.480 0.000 0.818 474 A HN 0.411 nan 8.150 nan 0.000 0.443 475 A N -0.372 122.315 122.820 -0.221 0.000 1.902 475 A HA -0.141 4.177 4.320 -0.003 0.000 0.217 475 A C 2.268 179.789 177.584 -0.105 0.000 1.181 475 A CA 1.522 53.471 52.037 -0.147 0.000 0.623 475 A CB -0.423 18.503 19.000 -0.123 0.000 0.818 475 A HN 0.548 nan 8.150 nan 0.000 0.443 476 R N -1.326 119.111 120.500 -0.104 0.000 2.066 476 R HA -0.078 4.261 4.340 -0.003 0.000 0.232 476 R C 2.468 178.735 176.300 -0.055 0.000 1.131 476 R CA 1.445 57.505 56.100 -0.068 0.000 0.955 476 R CB -0.258 30.005 30.300 -0.061 0.000 0.851 476 R HN 0.413 nan 8.270 nan 0.000 0.432 477 R N 1.248 121.709 120.500 -0.064 0.000 2.091 477 R HA -0.072 4.266 4.340 -0.003 0.000 0.238 477 R C 1.956 178.238 176.300 -0.030 0.000 1.136 477 R CA 1.462 57.540 56.100 -0.037 0.000 0.959 477 R CB -0.482 29.799 30.300 -0.032 0.000 0.856 477 R HN 0.202 nan 8.270 nan 0.000 0.437 478 I N -0.212 120.330 120.570 -0.047 0.000 2.142 478 I HA -0.288 3.881 4.170 -0.003 0.000 0.240 478 I C 2.146 178.244 176.117 -0.031 0.000 1.078 478 I CA 1.975 63.251 61.300 -0.040 0.000 1.343 478 I CB -0.678 37.282 38.000 -0.067 0.000 1.046 478 I HN 0.404 nan 8.210 nan 0.000 0.405 479 T N -1.041 113.493 114.554 -0.034 0.000 2.881 479 T HA -0.225 4.123 4.350 -0.003 0.000 0.270 479 T C 1.942 176.635 174.700 -0.012 0.000 1.068 479 T CA 1.112 63.200 62.100 -0.019 0.000 1.131 479 T CB -0.390 68.465 68.868 -0.021 0.000 0.871 479 T HN 0.320 nan 8.240 nan 0.000 0.479 480 R N 0.913 121.405 120.500 -0.014 0.000 2.062 480 R HA 0.068 4.406 4.340 -0.003 0.000 0.229 480 R C 2.562 178.861 176.300 -0.003 0.000 1.128 480 R CA 0.677 56.773 56.100 -0.008 0.000 0.960 480 R CB 0.036 30.331 30.300 -0.009 0.000 0.855 480 R HN 0.227 nan 8.270 nan 0.000 0.432 481 R N -0.147 120.351 120.500 -0.004 0.000 2.246 481 R HA 0.107 4.446 4.340 -0.003 0.000 0.199 481 R C 0.210 176.510 176.300 -0.001 0.000 0.984 481 R CA 0.445 56.545 56.100 -0.000 0.000 1.015 481 R CB 0.653 30.955 30.300 0.002 0.000 0.930 481 R HN 0.090 nan 8.270 nan 0.000 0.475 482 V N 2.572 122.483 119.914 -0.004 0.000 2.320 482 V HA 0.184 4.302 4.120 -0.003 0.000 0.257 482 V C -1.933 174.165 176.094 0.006 0.000 0.996 482 V CA -1.158 61.139 62.300 -0.004 0.000 0.928 482 V CB 1.599 33.412 31.823 -0.017 0.000 1.169 482 V HN -0.077 nan 8.190 nan 0.000 0.475 483 P HA -0.237 nan 4.420 nan 0.000 0.218 483 P C 1.501 178.827 177.300 0.042 0.000 1.147 483 P CA 1.439 64.552 63.100 0.022 0.000 0.827 483 P CB 0.261 31.972 31.700 0.019 0.000 0.778 484 E N -1.082 119.156 120.200 0.063 0.000 2.427 484 E HA -0.048 4.300 4.350 -0.003 0.000 0.196 484 E C 0.660 177.366 176.600 0.177 0.000 1.028 484 E CA 0.558 57.040 56.400 0.135 0.000 0.864 484 E CB -0.285 29.526 29.700 0.187 0.000 0.813 484 E HN 0.279 nan 8.360 nan 0.000 0.514 485 I N 2.246 122.871 120.570 0.093 0.000 2.291 485 I HA 0.154 4.322 4.170 -0.003 0.000 0.292 485 I C 1.183 177.328 176.117 0.046 0.000 1.064 485 I CA -0.028 61.319 61.300 0.079 0.000 1.269 485 I CB 1.154 39.163 38.000 0.016 0.000 1.418 485 I HN -0.004 nan 8.210 nan 0.000 0.485 486 G N 6.509 115.338 108.800 0.049 0.000 2.744 486 G HA2 0.043 4.001 3.960 -0.003 0.000 0.211 486 G HA3 0.043 4.001 3.960 -0.003 0.000 0.211 486 G C 0.776 175.681 174.900 0.007 0.000 1.146 486 G CA -0.049 45.063 45.100 0.020 0.000 0.787 486 G HN 0.513 nan 8.290 nan 0.000 0.534 487 R N -0.463 120.042 120.500 0.009 0.000 2.548 487 R HA 0.497 4.835 4.340 -0.003 0.000 0.280 487 R C -1.960 174.331 176.300 -0.014 0.000 1.061 487 R CA -0.401 55.697 56.100 -0.003 0.000 0.915 487 R CB 2.323 32.625 30.300 0.003 0.000 1.210 487 R HN -0.061 nan 8.270 nan 0.000 0.442 488 V N 4.264 124.160 119.914 -0.029 0.000 2.459 488 V HA 0.566 4.684 4.120 -0.003 0.000 0.295 488 V C -0.372 175.706 176.094 -0.027 0.000 1.029 488 V CA -0.694 61.576 62.300 -0.051 0.000 0.874 488 V CB 1.770 33.543 31.823 -0.083 0.000 0.985 488 V HN 0.498 nan 8.190 nan 0.000 0.438 489 V N 4.062 123.966 119.914 -0.017 0.000 3.001 489 V HA 0.565 4.683 4.120 -0.003 0.000 0.314 489 V C -1.583 174.571 176.094 0.099 0.000 1.099 489 V CA -0.733 61.589 62.300 0.036 0.000 0.989 489 V CB 2.484 34.337 31.823 0.049 0.000 1.040 489 V HN 0.764 nan 8.190 nan 0.000 0.434 490 Y N 2.286 122.571 120.300 -0.025 0.000 2.350 490 Y HA 0.470 5.018 4.550 -0.003 0.000 0.338 490 Y C -0.189 175.715 175.900 0.007 0.000 0.961 490 Y CA -1.396 56.701 58.100 -0.006 0.000 1.100 490 Y CB 1.479 39.946 38.460 0.010 0.000 1.179 490 Y HN 0.676 nan 8.280 nan 0.000 0.454 491 D N 5.477 125.581 120.400 -0.493 0.000 2.371 491 D HA 0.128 4.766 4.640 -0.003 0.000 0.256 491 D C 0.163 176.063 176.300 -0.667 0.000 1.193 491 D CA 0.426 54.217 54.000 -0.350 0.000 0.881 491 D CB 0.843 41.629 40.800 -0.022 0.000 1.143 491 D HN 0.780 nan 8.370 nan 0.000 0.473 492 L N 2.869 123.705 121.223 -0.645 0.000 2.700 492 L HA 0.154 4.493 4.340 -0.003 0.000 0.234 492 L C 0.501 176.834 176.870 -0.895 0.000 1.156 492 L CA -0.042 54.084 54.840 -1.190 0.000 0.946 492 L CB 0.241 41.695 42.059 -1.008 0.000 1.216 492 L HN 0.206 nan 8.230 nan 0.000 0.493 493 T N -0.863 113.449 114.554 -0.404 0.000 2.795 493 T HA 0.391 4.740 4.350 -0.003 0.000 0.282 493 T C 0.425 175.139 174.700 0.023 0.000 0.980 493 T CA -0.282 61.712 62.100 -0.176 0.000 1.012 493 T CB 2.042 70.799 68.868 -0.185 0.000 0.936 493 T HN -0.035 nan 8.240 nan 0.000 0.457 494 S N 1.884 117.652 115.700 0.113 0.000 2.681 494 S HA 0.471 4.940 4.470 -0.003 0.000 0.270 494 S C 0.055 174.691 174.600 0.059 0.000 1.209 494 S CA -0.892 57.396 58.200 0.146 0.000 0.988 494 S CB 0.759 64.065 63.200 0.177 0.000 1.006 494 S HN 0.670 nan 8.310 nan 0.000 0.558 495 K N 2.337 122.768 120.400 0.051 0.000 2.507 495 K HA 0.377 4.696 4.320 -0.003 0.000 0.253 495 K C -2.728 173.885 176.600 0.022 0.000 0.969 495 K CA -2.105 54.200 56.287 0.029 0.000 0.908 495 K CB 1.098 33.620 32.500 0.036 0.000 1.127 495 K HN 0.294 nan 8.250 nan 0.000 0.437 496 P HA 0.160 nan 4.420 nan 0.000 0.277 496 P C -2.247 175.063 177.300 0.016 0.000 1.271 496 P CA -1.110 61.997 63.100 0.012 0.000 0.795 496 P CB 0.731 32.438 31.700 0.011 0.000 1.101 497 P HA 0.093 nan 4.420 nan 0.000 0.240 497 P C 0.275 177.553 177.300 -0.038 0.000 1.190 497 P CA 0.678 63.766 63.100 -0.020 0.000 0.781 497 P CB 0.314 31.997 31.700 -0.029 0.000 0.931 498 A N 0.298 123.092 122.820 -0.045 0.000 2.311 498 A HA 0.611 4.929 4.320 -0.003 0.000 0.334 498 A C 0.331 177.897 177.584 -0.031 0.000 1.139 498 A CA -0.290 51.706 52.037 -0.070 0.000 0.830 498 A CB 0.473 19.393 19.000 -0.134 0.000 1.234 498 A HN 0.136 nan 8.150 nan 0.000 0.483 499 T N -0.632 113.903 114.554 -0.031 0.000 2.828 499 T HA 0.415 4.763 4.350 -0.003 0.000 0.290 499 T C 1.227 175.959 174.700 0.054 0.000 1.019 499 T CA -0.235 61.874 62.100 0.016 0.000 1.031 499 T CB 0.306 69.183 68.868 0.016 0.000 1.001 499 T HN 0.358 nan 8.240 nan 0.000 0.531 500 I N -0.050 120.578 120.570 0.096 0.000 2.179 500 I HA -0.054 4.114 4.170 -0.003 0.000 0.242 500 I C 1.488 177.720 176.117 0.192 0.000 1.088 500 I CA 1.142 62.528 61.300 0.144 0.000 1.357 500 I CB -0.180 37.924 38.000 0.173 0.000 1.051 500 I HN 0.640 nan 8.210 nan 0.000 0.409 501 E N -0.256 120.038 120.200 0.158 0.000 2.374 501 E HA -0.063 4.285 4.350 -0.003 0.000 0.260 501 E C -0.008 176.774 176.600 0.304 0.000 1.101 501 E CA -0.244 56.275 56.400 0.199 0.000 0.907 501 E CB 0.548 30.300 29.700 0.086 0.000 1.014 501 E HN 0.211 nan 8.360 nan 0.000 0.427 502 W N 1.009 122.302 121.300 -0.012 0.000 3.047 502 W HA 0.027 4.685 4.660 -0.003 0.000 0.250 502 W C 0.821 177.330 176.519 -0.015 0.000 1.314 502 W CA 0.138 57.474 57.345 -0.014 0.000 1.540 502 W CB 0.269 29.721 29.460 -0.013 0.000 1.127 502 W HN 0.548 nan 8.180 nan 0.000 0.679 503 E N 0.000 120.308 120.200 0.180 0.000 2.725 503 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 503 E CA 0.000 56.455 56.400 0.092 0.000 0.976 503 E CB 0.000 29.758 29.700 0.097 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440