REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ebs_1_D DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVREA LVDQAEEFSG RGEQATFDWV FKGYGVVFSN GERAKQLRRF DATA SEQUENCE SIATLRDFGV GKRGIEERIQ EEAGFLIDAL RGTGGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYKDKEFLS LLRMMLGSFQ FTSTSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFQL LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YMEAVIHEIQ RFGDVIPMGL ARRVKKDTKF DATA SEQUENCE RDFFLPKGTE VYPMLGSVLR DPSFFSNPQD FNPQHFLNEK GQFKKSDAFV DATA SEQUENCE PFSIGKRNCF GEGLARMELF LFFTTVMQNF RLKSSQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 31 G C 0.000 174.989 174.900 0.148 0.000 0.946 31 G CA 0.000 45.106 45.100 0.010 0.000 0.502 32 K N 0.255 120.795 120.400 0.233 0.000 2.221 32 K HA 0.509 4.829 4.320 -0.001 0.000 0.258 32 K C -0.182 176.616 176.600 0.330 0.000 0.944 32 K CA -0.667 55.770 56.287 0.250 0.000 0.823 32 K CB 2.428 35.057 32.500 0.216 0.000 1.113 32 K HN 0.382 nan 8.250 nan 0.000 0.431 33 L N 3.956 125.313 121.223 0.224 0.000 2.483 33 L HA 0.084 4.423 4.340 -0.001 0.000 0.275 33 L C -1.904 174.962 176.870 -0.006 0.000 1.220 33 L CA -1.373 53.538 54.840 0.117 0.000 0.833 33 L CB 0.212 42.302 42.059 0.052 0.000 1.102 33 L HN 0.350 nan 8.230 nan 0.000 0.490 34 P HA 0.017 nan 4.420 nan 0.000 0.267 34 P C -2.460 174.679 177.300 -0.268 0.000 1.201 34 P CA -0.765 61.842 63.100 -0.821 0.000 0.775 34 P CB -0.328 30.851 31.700 -0.868 0.000 0.854 35 P HA 0.319 nan 4.420 nan 0.000 0.273 35 P C -0.136 177.115 177.300 -0.082 0.000 1.250 35 P CA 0.202 63.326 63.100 0.041 0.000 0.793 35 P CB 0.695 32.536 31.700 0.235 0.000 1.011 36 G N -0.893 107.725 108.800 -0.304 0.000 2.368 36 G HA2 0.417 4.376 3.960 -0.001 0.000 0.293 36 G HA3 0.417 4.376 3.960 -0.001 0.000 0.293 36 G C -3.308 171.117 174.900 -0.790 0.000 1.467 36 G CA -0.898 43.743 45.100 -0.766 0.000 0.804 36 G HN 0.352 nan 8.290 nan 0.000 0.535 37 P HA 0.229 nan 4.420 nan 0.000 0.267 37 P C 0.206 177.452 177.300 -0.090 0.000 1.200 37 P CA 0.239 63.219 63.100 -0.199 0.000 0.772 37 P CB 0.453 32.086 31.700 -0.111 0.000 0.855 38 T N 5.509 120.049 114.554 -0.022 0.000 2.817 38 T HA 0.205 4.554 4.350 -0.001 0.000 0.295 38 T C -1.668 172.985 174.700 -0.079 0.000 0.958 38 T CA -0.505 61.569 62.100 -0.042 0.000 1.157 38 T CB -0.361 68.506 68.868 -0.002 0.000 0.898 38 T HN 0.425 nan 8.240 nan 0.000 0.536 39 P HA 0.339 nan 4.420 nan 0.000 0.276 39 P C -0.811 176.423 177.300 -0.110 0.000 1.252 39 P CA -0.759 62.216 63.100 -0.208 0.000 0.802 39 P CB 0.747 32.102 31.700 -0.575 0.000 1.035 40 L N 1.810 123.006 121.223 -0.045 0.000 2.375 40 L HA 0.505 4.844 4.340 -0.001 0.000 0.268 40 L C -2.113 174.766 176.870 0.014 0.000 1.058 40 L CA -2.598 52.243 54.840 0.001 0.000 0.803 40 L CB -0.167 41.921 42.059 0.048 0.000 1.212 40 L HN 0.255 nan 8.230 nan 0.000 0.451 41 P HA 0.084 nan 4.420 nan 0.000 0.265 41 P C 0.369 177.794 177.300 0.208 0.000 1.193 41 P CA 0.148 63.306 63.100 0.096 0.000 0.765 41 P CB 0.296 32.047 31.700 0.085 0.000 0.823 42 F N 2.642 122.626 119.950 0.058 0.000 2.575 42 F HA -0.369 4.158 4.527 -0.001 0.000 0.673 42 F C 1.334 177.263 175.800 0.216 0.000 0.487 42 F CA 2.426 60.493 58.000 0.112 0.000 0.705 42 F CB -1.697 37.352 39.000 0.081 0.000 1.604 42 F HN 0.366 nan 8.300 nan 0.000 0.262 43 I N -0.573 120.072 120.570 0.125 0.000 3.001 43 I HA 0.333 4.502 4.170 -0.001 0.000 0.268 43 I C 1.807 177.971 176.117 0.079 0.000 1.267 43 I CA 0.985 62.384 61.300 0.165 0.000 1.472 43 I CB -1.139 36.953 38.000 0.153 0.000 1.089 43 I HN 0.870 nan 8.210 nan 0.000 0.468 44 G N 2.760 111.569 108.800 0.015 0.000 2.629 44 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.313 44 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.313 44 G C 0.251 175.167 174.900 0.027 0.000 1.217 44 G CA 0.928 46.027 45.100 -0.002 0.000 0.994 44 G HN 0.604 nan 8.290 nan 0.000 0.549 45 N N 0.093 118.826 118.700 0.055 0.000 2.320 45 N HA 0.366 5.106 4.740 -0.001 0.000 0.237 45 N C 1.102 176.662 175.510 0.083 0.000 1.129 45 N CA 0.310 53.393 53.050 0.055 0.000 0.854 45 N CB 0.132 38.644 38.487 0.043 0.000 1.083 45 N HN 0.521 nan 8.380 nan 0.000 0.504 46 Y N 1.362 121.670 120.300 0.014 0.000 2.096 46 Y HA -0.301 4.248 4.550 -0.001 0.000 0.278 46 Y C 1.462 177.393 175.900 0.051 0.000 1.192 46 Y CA 1.731 59.866 58.100 0.058 0.000 1.143 46 Y CB -0.121 38.438 38.460 0.163 0.000 0.963 46 Y HN 0.182 nan 8.280 nan 0.000 0.505 47 L N -0.428 120.845 121.223 0.083 0.000 2.265 47 L HA -0.215 4.124 4.340 -0.001 0.000 0.215 47 L C 1.726 178.559 176.870 -0.061 0.000 1.117 47 L CA 1.232 56.064 54.840 -0.013 0.000 0.782 47 L CB -0.426 41.677 42.059 0.074 0.000 0.914 47 L HN 0.278 nan 8.230 nan 0.000 0.441 48 Q N -0.599 119.175 119.800 -0.043 0.000 2.319 48 Q HA 0.260 4.599 4.340 -0.001 0.000 0.202 48 Q C -0.326 175.636 176.000 -0.063 0.000 0.896 48 Q CA 0.404 56.182 55.803 -0.042 0.000 0.942 48 Q CB 0.503 29.227 28.738 -0.022 0.000 1.083 48 Q HN 0.374 nan 8.270 nan 0.000 0.510 49 L N 1.132 122.293 121.223 -0.103 0.000 2.349 49 L HA 0.425 4.764 4.340 -0.001 0.000 0.278 49 L C -0.555 176.226 176.870 -0.150 0.000 0.996 49 L CA -0.928 53.854 54.840 -0.097 0.000 0.825 49 L CB 1.383 43.400 42.059 -0.070 0.000 1.243 49 L HN -0.018 nan 8.230 nan 0.000 0.412 50 N N 1.377 120.024 118.700 -0.089 0.000 2.420 50 N HA 0.071 4.810 4.740 -0.001 0.000 0.249 50 N C 1.020 176.507 175.510 -0.038 0.000 1.033 50 N CA -0.173 52.832 53.050 -0.076 0.000 0.944 50 N CB 1.539 40.001 38.487 -0.041 0.000 1.113 50 N HN 0.720 nan 8.380 nan 0.000 0.502 51 T N 0.223 114.754 114.554 -0.037 0.000 2.962 51 T HA -0.103 4.246 4.350 -0.001 0.000 0.270 51 T C 1.204 175.904 174.700 0.000 0.000 1.088 51 T CA 0.945 63.044 62.100 -0.002 0.000 1.127 51 T CB -0.039 68.848 68.868 0.033 0.000 0.883 51 T HN 0.616 nan 8.240 nan 0.000 0.493 52 E N 1.113 121.315 120.200 0.005 0.000 2.274 52 E HA -0.044 4.306 4.350 -0.001 0.000 0.194 52 E C 0.579 177.199 176.600 0.032 0.000 0.996 52 E CA 0.575 56.986 56.400 0.018 0.000 0.840 52 E CB 0.155 29.870 29.700 0.026 0.000 0.772 52 E HN 0.661 nan 8.360 nan 0.000 0.491 53 Q N -0.162 119.657 119.800 0.033 0.000 3.394 53 Q HA 0.167 4.506 4.340 -0.001 0.000 0.285 53 Q C 0.432 176.473 176.000 0.068 0.000 0.866 53 Q CA -0.367 55.470 55.803 0.057 0.000 0.844 53 Q CB 0.950 29.719 28.738 0.052 0.000 1.472 53 Q HN 0.159 nan 8.270 nan 0.000 0.401 54 M N -0.285 119.361 119.600 0.077 0.000 2.080 54 M HA -0.192 4.287 4.480 -0.001 0.000 0.260 54 M C 1.785 178.159 176.300 0.123 0.000 1.068 54 M CA 1.870 57.225 55.300 0.091 0.000 1.109 54 M CB -0.694 31.972 32.600 0.110 0.000 1.342 54 M HN 0.591 nan 8.290 nan 0.000 0.405 55 Y N 1.990 122.313 120.300 0.037 0.000 2.081 55 Y HA -0.304 4.245 4.550 -0.001 0.000 0.280 55 Y C 2.198 178.121 175.900 0.039 0.000 1.163 55 Y CA 2.050 60.172 58.100 0.036 0.000 1.135 55 Y CB -0.405 38.054 38.460 -0.000 0.000 0.970 55 Y HN 0.333 nan 8.280 nan 0.000 0.498 56 N N -0.290 118.512 118.700 0.169 0.000 2.166 56 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 56 N C 1.969 177.470 175.510 -0.015 0.000 1.019 56 N CA 1.526 54.618 53.050 0.071 0.000 0.856 56 N CB -0.548 38.001 38.487 0.105 0.000 0.993 56 N HN 0.333 nan 8.380 nan 0.000 0.426 57 S N 1.309 117.010 115.700 0.001 0.000 2.370 57 S HA -0.016 4.453 4.470 -0.001 0.000 0.226 57 S C 2.154 176.736 174.600 -0.030 0.000 1.033 57 S CA 0.754 58.945 58.200 -0.015 0.000 1.011 57 S CB -0.244 62.953 63.200 -0.004 0.000 0.852 57 S HN 0.249 nan 8.310 nan 0.000 0.457 58 L N 0.563 121.780 121.223 -0.010 0.000 2.109 58 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 58 L C 2.522 179.383 176.870 -0.014 0.000 1.086 58 L CA 0.739 55.625 54.840 0.076 0.000 0.760 58 L CB -0.411 41.742 42.059 0.156 0.000 0.910 58 L HN 0.301 nan 8.230 nan 0.000 0.437 59 M N -0.281 119.225 119.600 -0.156 0.000 2.175 59 M HA -0.207 4.272 4.480 -0.001 0.000 0.264 59 M C 2.231 178.470 176.300 -0.102 0.000 1.063 59 M CA 1.552 56.752 55.300 -0.167 0.000 1.119 59 M CB -0.940 31.490 32.600 -0.284 0.000 1.377 59 M HN 0.169 nan 8.290 nan 0.000 0.415 60 K N 0.473 120.818 120.400 -0.091 0.000 2.148 60 K HA -0.086 4.233 4.320 -0.001 0.000 0.204 60 K C 1.842 178.375 176.600 -0.113 0.000 1.050 60 K CA 0.944 57.186 56.287 -0.075 0.000 0.942 60 K CB -0.016 32.454 32.500 -0.051 0.000 0.724 60 K HN 0.277 nan 8.250 nan 0.000 0.446 61 I N 0.167 120.623 120.570 -0.190 0.000 2.202 61 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 61 I C 2.466 178.312 176.117 -0.453 0.000 1.091 61 I CA 0.735 61.825 61.300 -0.350 0.000 1.368 61 I CB -0.390 37.262 38.000 -0.581 0.000 1.058 61 I HN 0.151 nan 8.210 nan 0.000 0.410 62 S N 0.668 116.111 115.700 -0.429 0.000 2.378 62 S HA -0.293 4.176 4.470 -0.001 0.000 0.229 62 S C 1.846 176.411 174.600 -0.058 0.000 1.052 62 S CA 2.045 60.165 58.200 -0.134 0.000 1.084 62 S CB -0.311 62.920 63.200 0.051 0.000 0.950 62 S HN 0.461 nan 8.310 nan 0.000 0.440 63 E N -0.174 119.988 120.200 -0.063 0.000 2.265 63 E HA -0.147 4.202 4.350 -0.001 0.000 0.196 63 E C 2.197 178.756 176.600 -0.069 0.000 0.996 63 E CA 0.816 57.191 56.400 -0.043 0.000 0.832 63 E CB -0.042 29.636 29.700 -0.038 0.000 0.756 63 E HN 0.440 nan 8.360 nan 0.000 0.491 64 R N -0.806 119.630 120.500 -0.107 0.000 2.195 64 R HA 0.018 4.357 4.340 -0.001 0.000 0.197 64 R C 1.005 177.098 176.300 -0.347 0.000 0.990 64 R CA 0.560 56.526 56.100 -0.223 0.000 1.048 64 R CB 0.313 30.450 30.300 -0.271 0.000 0.997 64 R HN 0.146 nan 8.270 nan 0.000 0.502 65 Y N -0.774 119.450 120.300 -0.128 0.000 2.444 65 Y HA 0.415 4.964 4.550 -0.001 0.000 0.252 65 Y C 0.731 176.639 175.900 0.014 0.000 1.091 65 Y CA 0.584 58.639 58.100 -0.075 0.000 1.276 65 Y CB 1.730 40.100 38.460 -0.150 0.000 1.170 65 Y HN 0.299 nan 8.280 nan 0.000 0.517 66 G N 0.375 109.261 108.800 0.144 0.000 2.423 66 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.684 66 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.684 66 G C -2.398 172.640 174.900 0.230 0.000 1.309 66 G CA -0.502 44.703 45.100 0.176 0.000 0.950 66 G HN -0.146 nan 8.290 nan 0.000 0.587 67 P HA 0.177 nan 4.420 nan 0.000 0.231 67 P C 0.461 177.910 177.300 0.247 0.000 1.168 67 P CA 0.800 64.032 63.100 0.221 0.000 0.779 67 P CB 0.370 32.169 31.700 0.166 0.000 0.844 68 V N 2.194 122.263 119.914 0.257 0.000 2.376 68 V HA 0.438 4.557 4.120 -0.001 0.000 0.287 68 V C -0.357 175.784 176.094 0.078 0.000 1.015 68 V CA -0.650 61.741 62.300 0.153 0.000 0.834 68 V CB 0.687 32.673 31.823 0.271 0.000 1.001 68 V HN 0.044 nan 8.190 nan 0.000 0.428 69 F N 1.535 121.414 119.950 -0.118 0.000 2.626 69 F HA 0.867 5.393 4.527 -0.001 0.000 0.311 69 F C -0.296 175.374 175.800 -0.216 0.000 1.088 69 F CA -0.779 57.108 58.000 -0.190 0.000 0.949 69 F CB 1.607 40.523 39.000 -0.140 0.000 1.322 69 F HN 0.213 nan 8.300 nan 0.000 0.461 70 T N 3.176 117.674 114.554 -0.092 0.000 2.829 70 T HA 0.677 5.026 4.350 -0.001 0.000 0.282 70 T C -1.100 173.577 174.700 -0.038 0.000 0.990 70 T CA -0.236 61.751 62.100 -0.187 0.000 1.028 70 T CB 1.483 70.260 68.868 -0.152 0.000 0.951 70 T HN 0.671 nan 8.240 nan 0.000 0.460 71 I N 1.645 122.096 120.570 -0.198 0.000 2.865 71 I HA 0.410 4.579 4.170 -0.001 0.000 0.302 71 I C -1.433 174.528 176.117 -0.260 0.000 1.140 71 I CA -0.797 60.464 61.300 -0.066 0.000 1.021 71 I CB 2.055 40.060 38.000 0.008 0.000 1.233 71 I HN 0.648 nan 8.210 nan 0.000 0.427 72 H N 6.449 125.444 119.070 -0.125 0.000 2.595 72 H HA 0.494 5.049 4.556 -0.002 0.000 0.313 72 H C -0.950 174.270 175.328 -0.180 0.000 1.023 72 H CA -0.532 55.428 56.048 -0.146 0.000 1.218 72 H CB 0.844 30.544 29.762 -0.104 0.000 1.403 72 H HN 0.299 nan 8.280 nan 0.000 0.477 73 L N 3.791 124.911 121.223 -0.173 0.000 2.358 73 L HA 0.309 4.648 4.340 -0.001 0.000 0.274 73 L C 1.317 177.960 176.870 -0.378 0.000 1.136 73 L CA -0.224 54.464 54.840 -0.254 0.000 0.970 73 L CB -0.375 41.527 42.059 -0.262 0.000 1.314 73 L HN 0.994 nan 8.230 nan 0.000 0.427 74 G N 4.271 112.787 108.800 -0.474 0.000 2.651 74 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.315 74 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.315 74 G C -1.469 173.266 174.900 -0.275 0.000 1.258 74 G CA 0.245 44.996 45.100 -0.582 0.000 1.002 74 G HN 0.541 nan 8.290 nan 0.000 0.551 75 P HA 0.085 nan 4.420 nan 0.000 0.241 75 P C 0.778 178.046 177.300 -0.053 0.000 1.191 75 P CA 0.484 63.546 63.100 -0.064 0.000 0.771 75 P CB 0.131 31.844 31.700 0.021 0.000 0.929 76 R N 1.408 121.828 120.500 -0.132 0.000 2.291 76 R HA 0.151 4.490 4.340 -0.001 0.000 0.333 76 R C 0.495 176.667 176.300 -0.213 0.000 1.082 76 R CA -0.239 55.772 56.100 -0.150 0.000 0.948 76 R CB 0.010 30.205 30.300 -0.175 0.000 1.009 76 R HN 0.005 nan 8.270 nan 0.000 0.460 77 R N 3.412 123.774 120.500 -0.230 0.000 2.234 77 R HA 0.261 4.600 4.340 -0.001 0.000 0.324 77 R C -1.202 174.884 176.300 -0.355 0.000 1.054 77 R CA -0.337 55.514 56.100 -0.415 0.000 0.912 77 R CB 0.814 30.884 30.300 -0.383 0.000 1.030 77 R HN 0.285 nan 8.270 nan 0.000 0.455 78 V N 5.283 124.935 119.914 -0.435 0.000 2.638 78 V HA 0.299 4.419 4.120 -0.001 0.000 0.306 78 V C -0.486 175.357 176.094 -0.418 0.000 1.052 78 V CA -0.941 61.115 62.300 -0.407 0.000 0.885 78 V CB 2.083 33.561 31.823 -0.576 0.000 0.999 78 V HN 0.496 nan 8.190 nan 0.000 0.424 79 V N 5.091 124.807 119.914 -0.330 0.000 2.432 79 V HA 0.372 4.491 4.120 -0.001 0.000 0.275 79 V C -0.047 175.823 176.094 -0.373 0.000 1.043 79 V CA -0.420 61.676 62.300 -0.339 0.000 0.925 79 V CB 1.683 33.384 31.823 -0.203 0.000 0.985 79 V HN 0.625 nan 8.190 nan 0.000 0.466 80 V N 7.078 126.616 119.914 -0.626 0.000 2.350 80 V HA 0.410 4.529 4.120 -0.001 0.000 0.276 80 V C -0.103 175.753 176.094 -0.396 0.000 1.028 80 V CA -0.474 61.464 62.300 -0.602 0.000 0.860 80 V CB 1.292 32.473 31.823 -1.069 0.000 0.990 80 V HN 0.642 nan 8.190 nan 0.000 0.453 81 L N 4.857 125.975 121.223 -0.175 0.000 2.257 81 L HA 0.548 4.887 4.340 -0.001 0.000 0.290 81 L C -0.410 176.448 176.870 -0.020 0.000 1.044 81 L CA -0.157 54.637 54.840 -0.076 0.000 0.810 81 L CB 0.964 42.952 42.059 -0.118 0.000 1.193 81 L HN 0.546 nan 8.230 nan 0.000 0.425 82 C N 2.802 122.130 119.300 0.045 0.000 2.382 82 C HA 0.925 5.384 4.460 -0.001 0.000 0.327 82 C C 0.818 175.853 174.990 0.075 0.000 1.250 82 C CA -0.525 58.535 59.018 0.070 0.000 1.707 82 C CB 0.543 28.355 27.740 0.120 0.000 2.272 82 C HN 1.112 nan 8.230 nan 0.000 0.506 83 G N 1.759 110.601 108.800 0.070 0.000 2.712 83 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.686 83 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.686 83 G C 0.433 175.356 174.900 0.037 0.000 1.321 83 G CA 0.219 45.371 45.100 0.086 0.000 0.813 83 G HN 1.027 nan 8.290 nan 0.000 0.599 84 H N 0.649 119.687 119.070 -0.054 0.000 2.265 84 H HA -0.147 4.408 4.556 -0.001 0.000 0.293 84 H C 2.116 177.416 175.328 -0.047 0.000 1.089 84 H CA 2.688 58.635 56.048 -0.169 0.000 1.244 84 H CB 0.088 29.522 29.762 -0.547 0.000 1.355 84 H HN 0.596 nan 8.280 nan 0.000 0.485 85 D N 0.529 120.910 120.400 -0.032 0.000 2.084 85 D HA -0.108 4.531 4.640 -0.001 0.000 0.194 85 D C 2.393 178.663 176.300 -0.049 0.000 0.990 85 D CA 1.488 55.478 54.000 -0.018 0.000 0.826 85 D CB -0.783 40.101 40.800 0.139 0.000 0.971 85 D HN 0.511 nan 8.370 nan 0.000 0.453 86 A N 0.675 123.511 122.820 0.026 0.000 1.883 86 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 86 A C 2.574 180.159 177.584 0.001 0.000 1.186 86 A CA 1.762 53.862 52.037 0.105 0.000 0.624 86 A CB -0.905 18.172 19.000 0.127 0.000 0.822 86 A HN 0.166 nan 8.150 nan 0.000 0.444 87 V N -0.353 119.491 119.914 -0.116 0.000 2.427 87 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 87 V C 2.645 178.591 176.094 -0.246 0.000 1.051 87 V CA 2.263 64.444 62.300 -0.199 0.000 1.048 87 V CB -0.767 30.961 31.823 -0.158 0.000 0.666 87 V HN 0.651 nan 8.190 nan 0.000 0.456 88 R N 0.039 120.366 120.500 -0.288 0.000 2.075 88 R HA -0.120 4.219 4.340 -0.001 0.000 0.226 88 R C 2.295 178.515 176.300 -0.133 0.000 1.114 88 R CA 1.441 57.385 56.100 -0.259 0.000 0.972 88 R CB -0.134 29.909 30.300 -0.428 0.000 0.869 88 R HN 0.583 nan 8.270 nan 0.000 0.437 89 E N -0.020 120.144 120.200 -0.060 0.000 2.118 89 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 89 E C 1.797 178.461 176.600 0.106 0.000 0.992 89 E CA 1.301 57.751 56.400 0.084 0.000 0.804 89 E CB -0.050 29.754 29.700 0.173 0.000 0.741 89 E HN 0.455 nan 8.360 nan 0.000 0.458 90 A N 0.731 123.426 122.820 -0.208 0.000 1.831 90 A HA -0.099 4.220 4.320 -0.001 0.000 0.213 90 A C 1.969 179.171 177.584 -0.636 0.000 1.223 90 A CA 0.921 52.367 52.037 -0.986 0.000 0.604 90 A CB -0.435 17.357 19.000 -2.014 0.000 0.878 90 A HN 0.098 nan 8.150 nan 0.000 0.450 91 L N -0.635 120.311 121.223 -0.462 0.000 2.395 91 L HA 0.031 4.370 4.340 -0.001 0.000 0.218 91 L C 1.972 178.800 176.870 -0.070 0.000 1.130 91 L CA 0.935 55.648 54.840 -0.213 0.000 0.826 91 L CB -0.049 41.909 42.059 -0.169 0.000 0.941 91 L HN 0.226 nan 8.230 nan 0.000 0.451 92 V N -1.704 118.173 119.914 -0.062 0.000 2.840 92 V HA 0.018 4.137 4.120 -0.001 0.000 0.234 92 V C 1.680 177.795 176.094 0.035 0.000 1.159 92 V CA 0.601 62.902 62.300 0.001 0.000 1.194 92 V CB -0.095 31.733 31.823 0.008 0.000 0.971 92 V HN 0.178 nan 8.190 nan 0.000 0.494 93 D N 0.414 120.838 120.400 0.039 0.000 2.218 93 D HA -0.119 4.520 4.640 -0.001 0.000 0.204 93 D C 1.477 177.842 176.300 0.110 0.000 0.976 93 D CA 1.133 55.178 54.000 0.075 0.000 0.853 93 D CB -0.011 40.840 40.800 0.085 0.000 0.939 93 D HN 0.461 nan 8.370 nan 0.000 0.481 94 Q N -0.531 119.348 119.800 0.131 0.000 2.233 94 Q HA 0.462 4.801 4.340 -0.001 0.000 0.340 94 Q C 1.053 177.182 176.000 0.215 0.000 0.899 94 Q CA -0.335 55.595 55.803 0.211 0.000 1.139 94 Q CB 1.296 30.255 28.738 0.368 0.000 1.273 94 Q HN 0.060 nan 8.270 nan 0.000 0.431 95 A N 1.165 124.059 122.820 0.123 0.000 1.894 95 A HA -0.348 3.971 4.320 -0.001 0.000 0.220 95 A C 1.970 179.624 177.584 0.118 0.000 1.237 95 A CA 2.486 54.584 52.037 0.101 0.000 0.660 95 A CB -0.270 18.771 19.000 0.069 0.000 0.835 95 A HN 0.514 nan 8.150 nan 0.000 0.461 96 E N -0.298 119.960 120.200 0.096 0.000 2.107 96 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 96 E C 1.847 178.475 176.600 0.046 0.000 0.982 96 E CA 1.609 58.048 56.400 0.064 0.000 0.809 96 E CB -0.343 29.386 29.700 0.049 0.000 0.756 96 E HN 0.715 nan 8.360 nan 0.000 0.459 97 E N -0.932 119.301 120.200 0.055 0.000 2.110 97 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 97 E C 0.739 177.223 176.600 -0.193 0.000 0.988 97 E CA 0.942 57.305 56.400 -0.062 0.000 0.804 97 E CB -0.124 29.543 29.700 -0.056 0.000 0.745 97 E HN 0.328 nan 8.360 nan 0.000 0.458 98 F N -0.157 119.755 119.950 -0.063 0.000 2.660 98 F HA 0.081 4.607 4.527 -0.001 0.000 0.297 98 F C 1.675 177.440 175.800 -0.057 0.000 1.132 98 F CA -0.066 57.881 58.000 -0.088 0.000 1.372 98 F CB 0.551 39.471 39.000 -0.134 0.000 1.003 98 F HN -0.067 nan 8.300 nan 0.000 0.524 99 S N -1.235 114.511 115.700 0.076 0.000 2.575 99 S HA 0.234 4.703 4.470 -0.001 0.000 0.215 99 S C 1.161 175.777 174.600 0.026 0.000 0.966 99 S CA -0.122 58.111 58.200 0.055 0.000 0.911 99 S CB -0.442 62.787 63.200 0.048 0.000 0.780 99 S HN 0.169 nan 8.310 nan 0.000 0.514 100 G N 1.332 110.135 108.800 0.004 0.000 2.544 100 G HA2 0.424 4.383 3.960 -0.001 0.000 0.242 100 G HA3 0.424 4.383 3.960 -0.001 0.000 0.242 100 G C -0.466 174.444 174.900 0.017 0.000 1.247 100 G CA -0.818 44.280 45.100 -0.003 0.000 0.840 100 G HN 0.529 nan 8.290 nan 0.000 0.578 101 R N 0.747 121.260 120.500 0.021 0.000 2.294 101 R HA 0.560 4.899 4.340 -0.001 0.000 0.319 101 R C 0.793 177.133 176.300 0.067 0.000 0.984 101 R CA 0.214 56.338 56.100 0.040 0.000 0.861 101 R CB 0.890 31.206 30.300 0.027 0.000 1.104 101 R HN 0.615 nan 8.270 nan 0.000 0.451 102 G N 2.424 111.281 108.800 0.095 0.000 2.574 102 G HA2 0.216 4.175 3.960 -0.001 0.000 0.248 102 G HA3 0.216 4.175 3.960 -0.001 0.000 0.248 102 G C -0.937 174.066 174.900 0.171 0.000 1.422 102 G CA -0.646 44.521 45.100 0.111 0.000 1.051 102 G HN 0.734 nan 8.290 nan 0.000 0.560 103 E N -0.806 119.489 120.200 0.159 0.000 2.214 103 E HA 0.511 4.860 4.350 -0.001 0.000 0.274 103 E C -1.056 175.655 176.600 0.185 0.000 0.977 103 E CA -0.805 55.690 56.400 0.158 0.000 0.827 103 E CB 1.821 31.572 29.700 0.085 0.000 1.130 103 E HN 0.154 nan 8.360 nan 0.000 0.394 104 Q N 1.419 121.293 119.800 0.123 0.000 2.337 104 Q HA 0.294 4.634 4.340 -0.001 0.000 0.264 104 Q C -0.277 175.715 176.000 -0.013 0.000 1.007 104 Q CA -0.390 55.453 55.803 0.066 0.000 0.727 104 Q CB 1.745 30.560 28.738 0.128 0.000 1.256 104 Q HN 0.806 nan 8.270 nan 0.000 0.467 105 A N 2.872 125.729 122.820 0.062 0.000 1.930 105 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 105 A C 1.674 179.491 177.584 0.389 0.000 1.175 105 A CA 2.153 54.286 52.037 0.160 0.000 0.627 105 A CB -0.099 18.912 19.000 0.018 0.000 0.815 105 A HN 0.722 nan 8.150 nan 0.000 0.443 106 T N -0.574 114.135 114.554 0.260 0.000 2.746 106 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 106 T C 1.514 176.174 174.700 -0.067 0.000 1.039 106 T CA 1.632 63.762 62.100 0.049 0.000 1.142 106 T CB -0.441 68.286 68.868 -0.236 0.000 0.866 106 T HN 0.504 nan 8.240 nan 0.000 0.444 107 F N 1.424 121.335 119.950 -0.065 0.000 2.206 107 F HA -0.010 4.516 4.527 -0.001 0.000 0.298 107 F C 2.357 178.110 175.800 -0.078 0.000 1.090 107 F CA 0.348 58.266 58.000 -0.136 0.000 1.323 107 F CB -0.241 38.480 39.000 -0.466 0.000 1.028 107 F HN 0.044 nan 8.300 nan 0.000 0.492 108 D N -0.434 119.965 120.400 -0.002 0.000 2.178 108 D HA -0.228 4.411 4.640 -0.001 0.000 0.201 108 D C 1.729 178.094 176.300 0.107 0.000 0.980 108 D CA 0.850 54.878 54.000 0.047 0.000 0.842 108 D CB -0.630 40.183 40.800 0.022 0.000 0.948 108 D HN 0.381 nan 8.370 nan 0.000 0.472 109 W N 0.921 122.185 121.300 -0.059 0.000 2.305 109 W HA -0.261 4.398 4.660 -0.001 0.000 0.308 109 W C 2.206 178.609 176.519 -0.194 0.000 1.226 109 W CA 1.542 58.775 57.345 -0.186 0.000 1.253 109 W CB -0.222 29.003 29.460 -0.392 0.000 1.146 109 W HN -0.138 nan 8.180 nan 0.000 0.507 110 V N -0.620 119.347 119.914 0.088 0.000 2.685 110 V HA -0.084 4.036 4.120 -0.001 0.000 0.244 110 V C 1.799 177.738 176.094 -0.260 0.000 1.054 110 V CA 1.540 63.748 62.300 -0.152 0.000 1.076 110 V CB -0.447 31.283 31.823 -0.154 0.000 0.725 110 V HN 0.134 nan 8.190 nan 0.000 0.467 111 F N 0.634 120.652 119.950 0.113 0.000 2.234 111 F HA 0.123 4.649 4.527 -0.001 0.000 0.296 111 F C 1.502 177.441 175.800 0.230 0.000 1.089 111 F CA 0.620 58.724 58.000 0.173 0.000 1.343 111 F CB -0.221 38.905 39.000 0.210 0.000 1.040 111 F HN 0.016 nan 8.300 nan 0.000 0.498 112 K N 0.485 121.054 120.400 0.281 0.000 3.156 112 K HA -0.237 4.082 4.320 -0.001 0.000 0.266 112 K C 0.917 177.647 176.600 0.217 0.000 0.966 112 K CA 0.295 56.717 56.287 0.225 0.000 0.719 112 K CB -2.242 30.372 32.500 0.191 0.000 1.333 112 K HN 0.631 nan 8.250 nan 0.000 0.468 113 G N -1.465 107.446 108.800 0.185 0.000 2.162 113 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.260 113 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.260 113 G C -0.112 174.739 174.900 -0.082 0.000 0.976 113 G CA 0.671 45.791 45.100 0.032 0.000 0.655 113 G HN 0.404 nan 8.290 nan 0.000 0.533 114 Y N 0.248 120.675 120.300 0.211 0.000 2.403 114 Y HA 0.568 5.117 4.550 -0.002 0.000 0.323 114 Y C 1.109 177.132 175.900 0.206 0.000 1.226 114 Y CA 0.248 58.466 58.100 0.196 0.000 1.235 114 Y CB 1.578 40.163 38.460 0.209 0.000 1.248 114 Y HN 1.198 nan 8.280 nan 0.000 0.489 115 G N -0.214 108.760 108.800 0.290 0.000 2.707 115 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 115 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 115 G C 0.164 175.106 174.900 0.070 0.000 1.315 115 G CA -0.397 44.800 45.100 0.161 0.000 0.832 115 G HN 0.877 nan 8.290 nan 0.000 0.573 116 V N 0.367 120.314 119.914 0.056 0.000 2.453 116 V HA -0.068 4.051 4.120 -0.001 0.000 0.247 116 V C 2.862 178.920 176.094 -0.060 0.000 1.048 116 V CA 2.975 65.313 62.300 0.064 0.000 1.049 116 V CB -0.341 31.605 31.823 0.203 0.000 0.672 116 V HN 0.983 nan 8.190 nan 0.000 0.457 117 V N -0.256 119.512 119.914 -0.244 0.000 2.229 117 V HA -0.161 3.958 4.120 -0.001 0.000 0.243 117 V C 2.023 177.767 176.094 -0.584 0.000 1.042 117 V CA 2.453 64.425 62.300 -0.547 0.000 1.000 117 V CB -0.798 30.452 31.823 -0.956 0.000 0.637 117 V HN 0.551 nan 8.190 nan 0.000 0.446 118 F N 1.006 120.836 119.950 -0.200 0.000 2.773 118 F HA 0.198 4.725 4.527 -0.001 0.000 0.304 118 F C 1.394 177.173 175.800 -0.035 0.000 1.129 118 F CA 0.122 58.065 58.000 -0.096 0.000 1.378 118 F CB -0.341 38.618 39.000 -0.068 0.000 1.095 118 F HN 0.145 nan 8.300 nan 0.000 0.565 119 S N -0.377 115.348 115.700 0.042 0.000 2.672 119 S HA 0.439 4.908 4.470 -0.001 0.000 0.276 119 S C -0.180 174.424 174.600 0.007 0.000 1.207 119 S CA -0.765 57.448 58.200 0.022 0.000 1.002 119 S CB 1.667 64.868 63.200 0.003 0.000 0.998 119 S HN 0.116 nan 8.310 nan 0.000 0.542 120 N N -0.767 117.930 118.700 -0.005 0.000 2.629 120 N HA 0.655 5.394 4.740 -0.001 0.000 0.279 120 N C 0.511 176.015 175.510 -0.010 0.000 1.344 120 N CA 0.423 53.470 53.050 -0.004 0.000 0.789 120 N CB 1.543 40.028 38.487 -0.003 0.000 1.508 120 N HN 1.126 nan 8.380 nan 0.000 0.516 121 G N 1.232 110.028 108.800 -0.006 0.000 2.564 121 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.273 121 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.273 121 G C 0.859 175.757 174.900 -0.004 0.000 1.242 121 G CA 1.014 46.111 45.100 -0.006 0.000 0.951 121 G HN 0.663 nan 8.290 nan 0.000 0.564 122 E N 0.043 120.241 120.200 -0.003 0.000 2.118 122 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 122 E C 2.468 179.056 176.600 -0.020 0.000 0.992 122 E CA 2.105 58.503 56.400 -0.003 0.000 0.804 122 E CB -0.246 29.457 29.700 0.005 0.000 0.741 122 E HN 0.603 nan 8.360 nan 0.000 0.458 123 R N -0.095 120.388 120.500 -0.028 0.000 2.103 123 R HA -0.220 4.119 4.340 -0.001 0.000 0.234 123 R C 2.288 178.561 176.300 -0.046 0.000 1.132 123 R CA 1.946 58.014 56.100 -0.053 0.000 0.925 123 R CB -0.691 29.581 30.300 -0.047 0.000 0.842 123 R HN 0.271 nan 8.270 nan 0.000 0.430 124 A N 1.285 124.095 122.820 -0.017 0.000 1.892 124 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 124 A C 2.150 179.743 177.584 0.016 0.000 1.188 124 A CA 1.984 54.025 52.037 0.007 0.000 0.631 124 A CB -0.698 18.309 19.000 0.010 0.000 0.822 124 A HN 0.516 nan 8.150 nan 0.000 0.447 125 K N -1.089 119.317 120.400 0.010 0.000 2.032 125 K HA -0.230 4.089 4.320 -0.001 0.000 0.209 125 K C 2.184 178.801 176.600 0.028 0.000 1.048 125 K CA 1.685 57.983 56.287 0.018 0.000 0.927 125 K CB -0.181 32.329 32.500 0.017 0.000 0.712 125 K HN 0.448 nan 8.250 nan 0.000 0.441 126 Q N 0.608 120.413 119.800 0.009 0.000 2.046 126 Q HA -0.091 4.248 4.340 -0.001 0.000 0.200 126 Q C 2.316 178.352 176.000 0.061 0.000 0.975 126 Q CA 1.215 57.032 55.803 0.023 0.000 0.836 126 Q CB -0.194 28.481 28.738 -0.105 0.000 0.896 126 Q HN 0.404 nan 8.270 nan 0.000 0.428 127 L N 0.015 121.238 121.223 0.001 0.000 2.109 127 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 127 L C 2.712 179.699 176.870 0.196 0.000 1.086 127 L CA 0.903 55.816 54.840 0.121 0.000 0.760 127 L CB -0.346 41.768 42.059 0.092 0.000 0.910 127 L HN 0.173 nan 8.230 nan 0.000 0.437 128 R N 0.383 120.931 120.500 0.080 0.000 2.062 128 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 128 R C 2.514 178.727 176.300 -0.145 0.000 1.136 128 R CA 1.400 57.455 56.100 -0.075 0.000 0.948 128 R CB -0.166 30.108 30.300 -0.043 0.000 0.845 128 R HN 0.132 nan 8.270 nan 0.000 0.430 129 R N -0.376 120.114 120.500 -0.017 0.000 2.136 129 R HA -0.248 4.091 4.340 -0.001 0.000 0.242 129 R C 2.179 178.520 176.300 0.068 0.000 1.131 129 R CA 2.372 58.479 56.100 0.012 0.000 0.937 129 R CB -0.651 29.693 30.300 0.073 0.000 0.863 129 R HN 0.316 nan 8.270 nan 0.000 0.435 130 F N 0.856 120.851 119.950 0.075 0.000 2.126 130 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 130 F C 2.430 178.317 175.800 0.144 0.000 1.096 130 F CA 1.976 60.045 58.000 0.116 0.000 1.255 130 F CB -0.110 39.059 39.000 0.282 0.000 0.997 130 F HN 0.060 nan 8.300 nan 0.000 0.479 131 S N 0.770 116.578 115.700 0.179 0.000 2.338 131 S HA -0.150 4.319 4.470 -0.001 0.000 0.218 131 S C 1.978 176.532 174.600 -0.075 0.000 1.032 131 S CA 1.538 59.866 58.200 0.212 0.000 0.999 131 S CB -0.463 62.861 63.200 0.206 0.000 0.905 131 S HN 0.356 nan 8.310 nan 0.000 0.439 132 I N 1.882 122.195 120.570 -0.429 0.000 2.194 132 I HA -0.269 3.900 4.170 -0.001 0.000 0.246 132 I C 2.608 178.636 176.117 -0.148 0.000 1.093 132 I CA 1.270 62.377 61.300 -0.321 0.000 1.355 132 I CB -0.442 37.341 38.000 -0.362 0.000 1.046 132 I HN 0.265 nan 8.210 nan 0.000 0.413 133 A N 0.107 122.823 122.820 -0.172 0.000 1.930 133 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 133 A C 2.379 179.835 177.584 -0.214 0.000 1.175 133 A CA 2.273 54.203 52.037 -0.179 0.000 0.627 133 A CB -0.933 17.957 19.000 -0.182 0.000 0.815 133 A HN 0.408 nan 8.150 nan 0.000 0.443 134 T N 0.169 114.558 114.554 -0.274 0.000 2.896 134 T HA -0.022 4.328 4.350 -0.001 0.000 0.263 134 T C 1.703 176.495 174.700 0.153 0.000 1.050 134 T CA 1.038 63.026 62.100 -0.186 0.000 1.140 134 T CB -0.249 68.328 68.868 -0.485 0.000 0.877 134 T HN 0.174 nan 8.240 nan 0.000 0.457 135 L N 1.359 122.699 121.223 0.194 0.000 2.013 135 L HA -0.039 4.300 4.340 -0.001 0.000 0.212 135 L C 2.530 179.463 176.870 0.106 0.000 1.073 135 L CA 1.644 56.599 54.840 0.191 0.000 0.753 135 L CB -0.928 41.226 42.059 0.159 0.000 0.890 135 L HN 0.163 nan 8.230 nan 0.000 0.432 136 R N -0.614 119.897 120.500 0.019 0.000 2.075 136 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 136 R C 1.848 178.107 176.300 -0.069 0.000 1.126 136 R CA 1.364 57.449 56.100 -0.025 0.000 0.963 136 R CB -0.069 30.199 30.300 -0.052 0.000 0.858 136 R HN 0.334 nan 8.270 nan 0.000 0.435 137 D N -0.567 119.741 120.400 -0.153 0.000 2.218 137 D HA -0.149 4.490 4.640 -0.001 0.000 0.204 137 D C 0.624 176.686 176.300 -0.397 0.000 0.976 137 D CA 1.146 54.950 54.000 -0.327 0.000 0.853 137 D CB 0.044 40.521 40.800 -0.540 0.000 0.939 137 D HN 0.214 nan 8.370 nan 0.000 0.481 138 F N -1.089 118.863 119.950 0.003 0.000 2.647 138 F HA 0.389 4.915 4.527 -0.001 0.000 0.300 138 F C 1.773 177.584 175.800 0.018 0.000 1.106 138 F CA 0.023 58.036 58.000 0.022 0.000 1.313 138 F CB 1.034 40.067 39.000 0.055 0.000 1.007 138 F HN 0.024 nan 8.300 nan 0.000 0.536 139 G N -0.760 108.113 108.800 0.120 0.000 2.699 139 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.198 139 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.198 139 G C 0.017 174.937 174.900 0.033 0.000 1.033 139 G CA -0.347 44.796 45.100 0.073 0.000 0.728 139 G HN -0.044 nan 8.290 nan 0.000 0.484 140 V N 2.402 122.344 119.914 0.045 0.000 2.678 140 V HA 0.304 4.423 4.120 -0.001 0.000 0.304 140 V C 1.966 178.047 176.094 -0.022 0.000 1.086 140 V CA 2.177 64.481 62.300 0.007 0.000 1.246 140 V CB 0.349 32.192 31.823 0.032 0.000 0.861 140 V HN 2.209 nan 8.190 nan 0.000 0.491 141 G N 3.385 112.147 108.800 -0.063 0.000 2.162 141 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 141 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 141 G C 0.119 174.993 174.900 -0.045 0.000 0.976 141 G CA 0.670 45.729 45.100 -0.069 0.000 0.655 141 G HN 1.003 nan 8.290 nan 0.000 0.533 142 K N -1.864 118.514 120.400 -0.037 0.000 2.372 142 K HA 0.723 5.042 4.320 -0.001 0.000 0.251 142 K C 0.957 177.551 176.600 -0.010 0.000 1.055 142 K CA -0.872 55.406 56.287 -0.015 0.000 0.879 142 K CB 0.952 33.447 32.500 -0.008 0.000 1.384 142 K HN -0.076 nan 8.250 nan 0.000 0.465 143 R N -0.162 120.342 120.500 0.006 0.000 2.285 143 R HA -0.050 4.289 4.340 -0.001 0.000 0.213 143 R C 1.637 177.945 176.300 0.014 0.000 1.068 143 R CA 1.582 57.691 56.100 0.014 0.000 1.004 143 R CB -0.665 29.646 30.300 0.020 0.000 0.873 143 R HN 0.869 nan 8.270 nan 0.000 0.467 144 G N 0.955 109.764 108.800 0.015 0.000 2.434 144 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.214 144 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.214 144 G C 1.187 176.103 174.900 0.027 0.000 1.202 144 G CA 0.369 45.486 45.100 0.027 0.000 0.788 144 G HN 0.272 nan 8.290 nan 0.000 0.539 145 I N 0.691 121.271 120.570 0.017 0.000 2.676 145 I HA 0.033 4.202 4.170 -0.001 0.000 0.259 145 I C 2.472 178.576 176.117 -0.022 0.000 1.194 145 I CA 1.066 62.371 61.300 0.007 0.000 1.473 145 I CB -0.094 37.906 38.000 -0.000 0.000 1.096 145 I HN 0.406 nan 8.210 nan 0.000 0.443 146 E N 0.621 120.803 120.200 -0.030 0.000 2.031 146 E HA -0.282 4.067 4.350 -0.001 0.000 0.193 146 E C 1.918 178.514 176.600 -0.008 0.000 0.994 146 E CA 1.756 58.137 56.400 -0.032 0.000 0.800 146 E CB -0.113 29.586 29.700 -0.001 0.000 0.752 146 E HN 0.603 nan 8.360 nan 0.000 0.447 147 E N -0.127 120.077 120.200 0.006 0.000 2.204 147 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 147 E C 2.141 178.742 176.600 0.001 0.000 0.989 147 E CA 0.678 57.082 56.400 0.007 0.000 0.824 147 E CB -0.058 29.649 29.700 0.012 0.000 0.756 147 E HN 0.027 nan 8.360 nan 0.000 0.477 148 R N 1.392 121.900 120.500 0.014 0.000 2.081 148 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 148 R C 1.897 178.225 176.300 0.046 0.000 1.131 148 R CA 1.345 57.465 56.100 0.034 0.000 0.960 148 R CB -0.385 29.945 30.300 0.051 0.000 0.856 148 R HN 0.175 nan 8.270 nan 0.000 0.436 149 I N 0.263 120.842 120.570 0.015 0.000 2.286 149 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 149 I C 2.324 178.454 176.117 0.021 0.000 1.104 149 I CA 1.221 62.516 61.300 -0.008 0.000 1.397 149 I CB -0.329 37.549 38.000 -0.204 0.000 1.072 149 I HN 0.253 nan 8.210 nan 0.000 0.417 150 Q N 0.447 120.244 119.800 -0.005 0.000 2.096 150 Q HA -0.280 4.060 4.340 -0.001 0.000 0.204 150 Q C 2.166 178.145 176.000 -0.036 0.000 0.982 150 Q CA 1.778 57.586 55.803 0.008 0.000 0.850 150 Q CB -0.201 28.542 28.738 0.007 0.000 0.901 150 Q HN 0.521 nan 8.270 nan 0.000 0.422 151 E N 0.626 120.767 120.200 -0.098 0.000 2.072 151 E HA -0.230 4.119 4.350 -0.001 0.000 0.191 151 E C 1.768 178.061 176.600 -0.512 0.000 0.985 151 E CA 0.949 57.158 56.400 -0.318 0.000 0.801 151 E CB 0.180 29.713 29.700 -0.279 0.000 0.750 151 E HN 0.155 nan 8.360 nan 0.000 0.452 152 E N 0.322 120.453 120.200 -0.114 0.000 2.106 152 E HA -0.098 4.251 4.350 -0.001 0.000 0.192 152 E C 1.695 178.438 176.600 0.238 0.000 0.984 152 E CA 1.201 57.687 56.400 0.143 0.000 0.806 152 E CB -0.237 29.683 29.700 0.368 0.000 0.750 152 E HN 0.342 nan 8.360 nan 0.000 0.458 153 A N 0.063 123.081 122.820 0.329 0.000 1.940 153 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 153 A C 2.412 180.102 177.584 0.175 0.000 1.176 153 A CA 1.860 54.113 52.037 0.360 0.000 0.631 153 A CB -1.246 17.979 19.000 0.376 0.000 0.814 153 A HN 0.401 nan 8.150 nan 0.000 0.446 154 G N -1.240 107.580 108.800 0.033 0.000 2.402 154 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 154 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 154 G C 1.466 176.450 174.900 0.140 0.000 1.162 154 G CA 0.901 46.009 45.100 0.013 0.000 0.777 154 G HN 0.531 nan 8.290 nan 0.000 0.539 155 F N -0.013 120.022 119.950 0.143 0.000 2.161 155 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 155 F C 2.486 178.456 175.800 0.284 0.000 1.089 155 F CA 0.441 58.535 58.000 0.157 0.000 1.282 155 F CB -0.187 38.849 39.000 0.059 0.000 1.010 155 F HN 0.158 nan 8.300 nan 0.000 0.485 156 L N 0.545 122.013 121.223 0.409 0.000 2.027 156 L HA -0.191 4.148 4.340 -0.001 0.000 0.206 156 L C 2.147 179.103 176.870 0.144 0.000 1.074 156 L CA 1.528 56.502 54.840 0.223 0.000 0.745 156 L CB -0.860 41.224 42.059 0.041 0.000 0.898 156 L HN -0.019 nan 8.230 nan 0.000 0.433 157 I N 0.316 120.994 120.570 0.180 0.000 2.113 157 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 157 I C 2.269 178.518 176.117 0.220 0.000 1.064 157 I CA 1.563 62.998 61.300 0.224 0.000 1.320 157 I CB -1.693 36.411 38.000 0.174 0.000 1.028 157 I HN 0.330 nan 8.210 nan 0.000 0.406 158 D N 1.050 121.580 120.400 0.217 0.000 2.104 158 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 158 D C 2.281 178.695 176.300 0.190 0.000 0.994 158 D CA 1.750 55.872 54.000 0.203 0.000 0.830 158 D CB -0.257 40.680 40.800 0.229 0.000 0.959 158 D HN 0.356 nan 8.370 nan 0.000 0.452 159 A N 0.742 123.702 122.820 0.233 0.000 1.908 159 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 159 A C 2.432 180.050 177.584 0.057 0.000 1.181 159 A CA 1.148 53.330 52.037 0.241 0.000 0.627 159 A CB -0.810 18.404 19.000 0.357 0.000 0.818 159 A HN 0.224 nan 8.150 nan 0.000 0.445 160 L N -1.252 119.881 121.223 -0.150 0.000 2.109 160 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 160 L C 2.813 179.561 176.870 -0.203 0.000 1.086 160 L CA 0.825 55.363 54.840 -0.504 0.000 0.760 160 L CB -0.552 40.926 42.059 -0.969 0.000 0.910 160 L HN 0.322 nan 8.230 nan 0.000 0.437 161 R N 0.444 121.031 120.500 0.145 0.000 2.096 161 R HA -0.162 4.177 4.340 -0.001 0.000 0.240 161 R C 2.234 178.593 176.300 0.098 0.000 1.139 161 R CA 1.672 57.899 56.100 0.211 0.000 0.952 161 R CB -1.161 29.257 30.300 0.197 0.000 0.854 161 R HN 0.444 nan 8.270 nan 0.000 0.436 162 G N 0.584 109.430 108.800 0.077 0.000 2.509 162 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 162 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 162 G C 1.491 176.423 174.900 0.053 0.000 1.124 162 G CA 1.250 46.395 45.100 0.076 0.000 0.776 162 G HN 0.498 nan 8.290 nan 0.000 0.547 163 T N -2.386 112.167 114.554 -0.002 0.000 3.023 163 T HA 0.278 4.627 4.350 -0.001 0.000 0.266 163 T C 1.948 176.647 174.700 -0.002 0.000 1.093 163 T CA 1.028 63.113 62.100 -0.025 0.000 1.129 163 T CB -0.284 68.486 68.868 -0.162 0.000 0.899 163 T HN 1.267 nan 8.240 nan 0.000 0.491 164 G N 1.175 109.986 108.800 0.018 0.000 2.323 164 G HA2 0.132 4.091 3.960 -0.001 0.000 0.292 164 G HA3 0.132 4.091 3.960 -0.001 0.000 0.292 164 G C 1.055 175.978 174.900 0.038 0.000 1.040 164 G CA 0.437 45.564 45.100 0.045 0.000 0.942 164 G HN 1.788 nan 8.290 nan 0.000 0.506 165 G N -2.056 106.760 108.800 0.026 0.000 2.148 165 G HA2 0.152 4.111 3.960 -0.001 0.000 0.254 165 G HA3 0.152 4.111 3.960 -0.001 0.000 0.254 165 G C 0.866 175.764 174.900 -0.002 0.000 0.981 165 G CA 1.120 46.233 45.100 0.021 0.000 0.670 165 G HN 2.353 nan 8.290 nan 0.000 0.528 166 A N -0.118 122.697 122.820 -0.009 0.000 2.445 166 A HA 0.491 4.810 4.320 -0.001 0.000 0.242 166 A C 0.807 178.378 177.584 -0.021 0.000 1.075 166 A CA 0.288 52.320 52.037 -0.008 0.000 0.777 166 A CB 0.209 19.210 19.000 0.002 0.000 1.013 166 A HN 0.626 nan 8.150 nan 0.000 0.493 167 N N 1.009 119.699 118.700 -0.016 0.000 2.412 167 N HA 0.196 4.936 4.740 -0.001 0.000 0.279 167 N C -0.703 174.803 175.510 -0.007 0.000 1.287 167 N CA 0.144 53.182 53.050 -0.020 0.000 0.948 167 N CB -0.234 38.246 38.487 -0.012 0.000 1.255 167 N HN 0.559 nan 8.380 nan 0.000 0.485 168 I N 0.022 120.585 120.570 -0.013 0.000 2.785 168 I HA 0.372 4.541 4.170 -0.001 0.000 0.302 168 I C -0.303 175.818 176.117 0.006 0.000 1.069 168 I CA -1.194 60.117 61.300 0.020 0.000 1.045 168 I CB 1.443 39.457 38.000 0.023 0.000 1.236 168 I HN 0.124 nan 8.210 nan 0.000 0.429 169 D N 6.358 126.771 120.400 0.022 0.000 2.346 169 D HA 0.238 4.877 4.640 -0.001 0.000 0.260 169 D C -1.541 174.775 176.300 0.027 0.000 1.252 169 D CA -2.187 51.780 54.000 -0.055 0.000 0.895 169 D CB 1.130 41.901 40.800 -0.048 0.000 1.097 169 D HN 0.448 nan 8.370 nan 0.000 0.489 170 P HA -0.073 nan 4.420 nan 0.000 0.234 170 P C 1.046 178.360 177.300 0.022 0.000 1.167 170 P CA 0.421 63.556 63.100 0.058 0.000 0.763 170 P CB 0.255 31.985 31.700 0.049 0.000 0.835 171 T N 0.223 114.677 114.554 -0.165 0.000 2.622 171 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 171 T C 1.397 175.780 174.700 -0.529 0.000 1.047 171 T CA 1.610 63.454 62.100 -0.426 0.000 1.159 171 T CB -0.884 67.579 68.868 -0.674 0.000 0.863 171 T HN 0.102 nan 8.240 nan 0.000 0.422 172 F N -0.067 119.768 119.950 -0.192 0.000 2.456 172 F HA 0.232 4.758 4.527 -0.002 0.000 0.298 172 F C 1.838 177.390 175.800 -0.414 0.000 1.104 172 F CA 0.104 57.900 58.000 -0.340 0.000 1.435 172 F CB -0.739 38.013 39.000 -0.413 0.000 1.078 172 F HN 0.084 nan 8.300 nan 0.000 0.546 173 F N -0.279 119.554 119.950 -0.195 0.000 2.095 173 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 173 F C 2.124 177.721 175.800 -0.338 0.000 1.104 173 F CA 0.915 58.729 58.000 -0.310 0.000 1.232 173 F CB -0.718 38.092 39.000 -0.317 0.000 0.987 173 F HN -0.100 nan 8.300 nan 0.000 0.475 174 L N -0.140 121.031 121.223 -0.087 0.000 2.044 174 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 174 L C 2.723 179.471 176.870 -0.204 0.000 1.075 174 L CA 2.028 56.777 54.840 -0.152 0.000 0.747 174 L CB -1.689 40.331 42.059 -0.064 0.000 0.903 174 L HN 0.241 nan 8.230 nan 0.000 0.435 175 S N -0.915 114.649 115.700 -0.226 0.000 2.383 175 S HA -0.159 4.311 4.470 -0.001 0.000 0.227 175 S C 2.134 176.629 174.600 -0.176 0.000 1.026 175 S CA 0.555 58.619 58.200 -0.226 0.000 0.981 175 S CB -0.350 62.665 63.200 -0.308 0.000 0.818 175 S HN 0.341 nan 8.310 nan 0.000 0.472 176 R N 0.747 121.107 120.500 -0.234 0.000 2.081 176 R HA -0.040 4.299 4.340 -0.001 0.000 0.235 176 R C 2.498 178.902 176.300 0.173 0.000 1.131 176 R CA 1.868 57.892 56.100 -0.127 0.000 0.960 176 R CB -0.956 29.100 30.300 -0.407 0.000 0.856 176 R HN 0.505 nan 8.270 nan 0.000 0.436 177 T N 0.702 115.222 114.554 -0.055 0.000 2.701 177 T HA -0.097 4.252 4.350 -0.001 0.000 0.263 177 T C 2.034 176.760 174.700 0.043 0.000 1.040 177 T CA 1.354 63.459 62.100 0.008 0.000 1.147 177 T CB -0.267 68.417 68.868 -0.306 0.000 0.865 177 T HN -0.025 nan 8.240 nan 0.000 0.426 178 V N 1.421 121.296 119.914 -0.064 0.000 2.252 178 V HA -0.198 3.921 4.120 -0.001 0.000 0.249 178 V C 2.714 178.928 176.094 0.201 0.000 1.056 178 V CA 2.148 64.505 62.300 0.095 0.000 1.022 178 V CB -0.841 30.991 31.823 0.014 0.000 0.641 178 V HN 0.496 nan 8.190 nan 0.000 0.445 179 S N -0.367 115.460 115.700 0.213 0.000 2.447 179 S HA -0.141 4.329 4.470 -0.001 0.000 0.233 179 S C 1.763 176.644 174.600 0.470 0.000 1.006 179 S CA 1.171 59.571 58.200 0.333 0.000 0.957 179 S CB -0.469 62.967 63.200 0.394 0.000 0.773 179 S HN 0.616 nan 8.310 nan 0.000 0.507 180 N N 0.709 119.675 118.700 0.443 0.000 2.446 180 N HA 0.070 4.810 4.740 -0.001 0.000 0.179 180 N C 1.443 177.132 175.510 0.297 0.000 1.054 180 N CA 0.564 53.850 53.050 0.393 0.000 0.905 180 N CB -0.112 38.626 38.487 0.417 0.000 0.973 180 N HN 0.251 nan 8.380 nan 0.000 0.448 181 V N 0.781 120.870 119.914 0.292 0.000 2.239 181 V HA -0.147 3.972 4.120 -0.001 0.000 0.242 181 V C 2.220 178.411 176.094 0.161 0.000 1.038 181 V CA 1.042 63.474 62.300 0.221 0.000 1.002 181 V CB -0.478 31.482 31.823 0.229 0.000 0.641 181 V HN 0.153 nan 8.190 nan 0.000 0.449 182 I N 0.274 120.944 120.570 0.166 0.000 2.264 182 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 182 I C 2.470 178.626 176.117 0.065 0.000 1.111 182 I CA 1.646 63.011 61.300 0.108 0.000 1.382 182 I CB -0.336 37.733 38.000 0.116 0.000 1.060 182 I HN 0.223 nan 8.210 nan 0.000 0.418 183 S N -0.200 115.609 115.700 0.181 0.000 2.382 183 S HA -0.158 4.311 4.470 -0.001 0.000 0.228 183 S C 2.116 176.747 174.600 0.052 0.000 1.027 183 S CA 1.428 59.714 58.200 0.144 0.000 0.991 183 S CB -0.321 63.176 63.200 0.496 0.000 0.823 183 S HN 0.555 nan 8.310 nan 0.000 0.469 184 S N 1.777 117.519 115.700 0.071 0.000 2.359 184 S HA -0.055 4.414 4.470 -0.001 0.000 0.224 184 S C 1.797 176.369 174.600 -0.046 0.000 1.035 184 S CA 1.272 59.486 58.200 0.024 0.000 1.018 184 S CB -0.450 62.788 63.200 0.063 0.000 0.876 184 S HN 0.469 nan 8.310 nan 0.000 0.448 185 I N 0.383 120.926 120.570 -0.045 0.000 2.179 185 I HA -0.105 4.064 4.170 -0.001 0.000 0.242 185 I C 2.281 178.279 176.117 -0.199 0.000 1.088 185 I CA 1.022 62.265 61.300 -0.095 0.000 1.357 185 I CB -0.436 37.566 38.000 0.003 0.000 1.051 185 I HN 0.158 nan 8.210 nan 0.000 0.409 186 V N -0.116 119.662 119.914 -0.227 0.000 2.599 186 V HA -0.095 4.024 4.120 -0.001 0.000 0.245 186 V C 1.643 177.550 176.094 -0.313 0.000 1.046 186 V CA 1.520 63.628 62.300 -0.320 0.000 1.065 186 V CB -0.026 31.461 31.823 -0.561 0.000 0.703 186 V HN 0.253 nan 8.190 nan 0.000 0.464 187 F N -0.198 119.702 119.950 -0.082 0.000 2.704 187 F HA 0.542 5.068 4.527 -0.002 0.000 0.304 187 F C 1.739 177.448 175.800 -0.151 0.000 1.094 187 F CA 0.465 58.387 58.000 -0.130 0.000 1.275 187 F CB 0.338 39.218 39.000 -0.200 0.000 1.073 187 F HN 0.220 nan 8.300 nan 0.000 0.586 188 G N 0.102 108.889 108.800 -0.021 0.000 2.475 188 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.209 188 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.209 188 G C -0.120 174.751 174.900 -0.048 0.000 1.127 188 G CA 0.151 45.215 45.100 -0.059 0.000 0.681 188 G HN 0.392 nan 8.290 nan 0.000 0.517 189 D N -0.198 120.167 120.400 -0.058 0.000 2.677 189 D HA 0.514 5.153 4.640 -0.001 0.000 0.298 189 D C 0.305 176.536 176.300 -0.114 0.000 1.250 189 D CA -0.348 53.614 54.000 -0.063 0.000 0.888 189 D CB 0.136 40.899 40.800 -0.062 0.000 1.397 189 D HN 0.816 nan 8.370 nan 0.000 0.461 190 R N -0.491 119.963 120.500 -0.076 0.000 2.738 190 R HA 0.422 4.761 4.340 -0.001 0.000 0.268 190 R C -0.462 175.678 176.300 -0.266 0.000 1.062 190 R CA -0.457 55.597 56.100 -0.077 0.000 1.158 190 R CB 0.137 30.459 30.300 0.036 0.000 1.046 190 R HN 0.205 nan 8.270 nan 0.000 0.493 191 F N 0.174 119.912 119.950 -0.353 0.000 2.403 191 F HA 0.083 4.609 4.527 -0.002 0.000 0.320 191 F C 0.791 176.377 175.800 -0.356 0.000 1.176 191 F CA -0.037 57.647 58.000 -0.528 0.000 1.206 191 F CB 0.705 38.870 39.000 -1.393 0.000 1.235 191 F HN 0.623 nan 8.300 nan 0.000 0.565 192 D N 0.160 120.554 120.400 -0.011 0.000 2.264 192 D HA 0.101 4.740 4.640 -0.001 0.000 0.250 192 D C 0.569 177.001 176.300 0.220 0.000 1.113 192 D CA -0.130 53.859 54.000 -0.018 0.000 0.871 192 D CB 0.491 41.270 40.800 -0.035 0.000 1.167 192 D HN 0.292 nan 8.370 nan 0.000 0.447 193 Y N 2.376 122.728 120.300 0.086 0.000 2.365 193 Y HA -0.134 4.415 4.550 -0.001 0.000 0.287 193 Y C 1.717 177.654 175.900 0.062 0.000 1.162 193 Y CA 0.982 59.164 58.100 0.136 0.000 1.260 193 Y CB -0.310 38.176 38.460 0.042 0.000 0.976 193 Y HN 0.495 nan 8.280 nan 0.000 0.548 194 K N -0.111 120.397 120.400 0.180 0.000 2.404 194 K HA -0.014 4.305 4.320 -0.001 0.000 0.194 194 K C 0.201 176.842 176.600 0.068 0.000 1.023 194 K CA -0.008 56.324 56.287 0.075 0.000 1.094 194 K CB 0.124 32.646 32.500 0.036 0.000 0.841 194 K HN 0.051 nan 8.250 nan 0.000 0.523 195 D N 2.094 122.579 120.400 0.142 0.000 2.401 195 D HA -0.009 4.630 4.640 -0.001 0.000 0.254 195 D C 0.445 176.793 176.300 0.080 0.000 1.192 195 D CA 0.477 54.559 54.000 0.136 0.000 0.885 195 D CB 1.019 41.960 40.800 0.236 0.000 1.147 195 D HN -0.079 nan 8.370 nan 0.000 0.478 196 K N 2.590 122.999 120.400 0.014 0.000 2.366 196 K HA -0.057 4.262 4.320 -0.001 0.000 0.198 196 K C 1.487 178.042 176.600 -0.075 0.000 1.044 196 K CA 0.356 56.609 56.287 -0.056 0.000 0.973 196 K CB 0.445 32.913 32.500 -0.053 0.000 0.767 196 K HN 0.523 nan 8.250 nan 0.000 0.475 197 E N 0.221 120.408 120.200 -0.022 0.000 2.075 197 E HA -0.119 4.230 4.350 -0.001 0.000 0.190 197 E C 1.681 178.196 176.600 -0.142 0.000 0.969 197 E CA 0.302 56.673 56.400 -0.049 0.000 0.815 197 E CB -0.022 29.699 29.700 0.034 0.000 0.776 197 E HN 0.122 nan 8.360 nan 0.000 0.457 198 F N 2.127 121.854 119.950 -0.373 0.000 2.085 198 F HA -0.292 4.234 4.527 -0.002 0.000 0.299 198 F C 2.061 177.609 175.800 -0.421 0.000 1.096 198 F CA 1.552 59.159 58.000 -0.656 0.000 1.227 198 F CB -0.746 37.867 39.000 -0.646 0.000 0.983 198 F HN 0.164 nan 8.300 nan 0.000 0.482 199 L N 0.369 121.337 121.223 -0.424 0.000 2.083 199 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 199 L C 2.775 179.384 176.870 -0.435 0.000 1.083 199 L CA 2.273 56.790 54.840 -0.538 0.000 0.752 199 L CB -1.356 40.415 42.059 -0.481 0.000 0.899 199 L HN 0.407 nan 8.230 nan 0.000 0.433 200 S N -0.776 114.741 115.700 -0.305 0.000 2.356 200 S HA -0.204 4.265 4.470 -0.001 0.000 0.223 200 S C 2.083 176.556 174.600 -0.212 0.000 1.032 200 S CA 1.549 59.611 58.200 -0.231 0.000 1.005 200 S CB -0.812 62.294 63.200 -0.156 0.000 0.867 200 S HN 0.505 nan 8.310 nan 0.000 0.449 201 L N 0.857 121.934 121.223 -0.245 0.000 2.012 201 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 201 L C 2.758 179.481 176.870 -0.245 0.000 1.073 201 L CA 1.546 56.257 54.840 -0.214 0.000 0.748 201 L CB -0.836 41.081 42.059 -0.238 0.000 0.891 201 L HN 0.335 nan 8.230 nan 0.000 0.431 202 L N -0.615 120.416 121.223 -0.320 0.000 2.042 202 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 202 L C 2.857 179.671 176.870 -0.095 0.000 1.076 202 L CA 1.359 56.036 54.840 -0.273 0.000 0.749 202 L CB -0.553 41.340 42.059 -0.277 0.000 0.893 202 L HN 0.216 nan 8.230 nan 0.000 0.432 203 R N -0.520 119.925 120.500 -0.091 0.000 2.092 203 R HA -0.115 4.224 4.340 -0.001 0.000 0.231 203 R C 2.324 178.604 176.300 -0.033 0.000 1.119 203 R CA 1.314 57.403 56.100 -0.018 0.000 0.970 203 R CB -0.287 29.931 30.300 -0.135 0.000 0.864 203 R HN 0.366 nan 8.270 nan 0.000 0.440 204 M N -0.121 119.435 119.600 -0.074 0.000 2.086 204 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 204 M C 2.353 178.646 176.300 -0.012 0.000 1.067 204 M CA 1.800 57.082 55.300 -0.029 0.000 1.116 204 M CB -0.221 32.373 32.600 -0.011 0.000 1.348 204 M HN 0.141 nan 8.290 nan 0.000 0.407 205 M N -0.171 119.317 119.600 -0.188 0.000 2.065 205 M HA -0.227 4.252 4.480 -0.001 0.000 0.259 205 M C 2.300 178.523 176.300 -0.128 0.000 1.069 205 M CA 1.465 56.488 55.300 -0.461 0.000 1.110 205 M CB -0.679 31.398 32.600 -0.872 0.000 1.328 205 M HN 0.256 nan 8.290 nan 0.000 0.405 206 L N 0.722 121.889 121.223 -0.094 0.000 1.971 206 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 206 L C 2.383 179.348 176.870 0.158 0.000 1.072 206 L CA 2.454 57.309 54.840 0.025 0.000 0.758 206 L CB -1.395 40.658 42.059 -0.011 0.000 0.889 206 L HN 0.308 nan 8.230 nan 0.000 0.433 207 G N -2.122 106.748 108.800 0.115 0.000 2.422 207 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 207 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 207 G C 1.527 176.520 174.900 0.155 0.000 1.140 207 G CA 0.864 46.032 45.100 0.113 0.000 0.775 207 G HN 0.508 nan 8.290 nan 0.000 0.545 208 S N 0.367 116.196 115.700 0.215 0.000 2.348 208 S HA -0.081 4.388 4.470 -0.001 0.000 0.221 208 S C 1.911 176.755 174.600 0.408 0.000 1.033 208 S CA 0.954 59.323 58.200 0.282 0.000 1.010 208 S CB -0.427 63.062 63.200 0.482 0.000 0.891 208 S HN 0.344 nan 8.310 nan 0.000 0.442 209 F N 2.128 122.326 119.950 0.414 0.000 2.126 209 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 209 F C 2.604 178.565 175.800 0.268 0.000 1.096 209 F CA 1.785 60.061 58.000 0.460 0.000 1.255 209 F CB -0.498 38.771 39.000 0.449 0.000 0.997 209 F HN 0.184 nan 8.300 nan 0.000 0.479 210 Q N -0.885 119.083 119.800 0.280 0.000 2.123 210 Q HA -0.212 4.127 4.340 -0.001 0.000 0.199 210 Q C 2.251 178.215 176.000 -0.061 0.000 0.966 210 Q CA 1.702 57.561 55.803 0.093 0.000 0.845 210 Q CB -0.527 28.301 28.738 0.151 0.000 0.907 210 Q HN 0.467 nan 8.270 nan 0.000 0.439 211 F N 1.054 120.934 119.950 -0.117 0.000 2.095 211 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 211 F C 2.248 177.915 175.800 -0.221 0.000 1.104 211 F CA 2.142 60.019 58.000 -0.205 0.000 1.232 211 F CB -0.779 38.076 39.000 -0.241 0.000 0.987 211 F HN 0.209 nan 8.300 nan 0.000 0.475 212 T N -2.986 111.368 114.554 -0.334 0.000 3.072 212 T HA -0.052 4.297 4.350 -0.001 0.000 0.266 212 T C 1.749 176.288 174.700 -0.268 0.000 1.127 212 T CA 1.186 63.054 62.100 -0.388 0.000 1.107 212 T CB -0.596 68.088 68.868 -0.307 0.000 0.910 212 T HN 0.254 nan 8.240 nan 0.000 0.513 213 S N 1.311 116.846 115.700 -0.275 0.000 2.548 213 S HA 0.145 4.614 4.470 -0.001 0.000 0.215 213 S C 1.153 175.580 174.600 -0.289 0.000 0.976 213 S CA 0.194 58.264 58.200 -0.216 0.000 0.908 213 S CB 0.042 63.139 63.200 -0.172 0.000 0.781 213 S HN 0.906 nan 8.310 nan 0.000 0.519 214 T N -1.004 113.272 114.554 -0.464 0.000 2.881 214 T HA 0.419 4.768 4.350 -0.001 0.000 0.278 214 T C 1.266 175.788 174.700 -0.296 0.000 0.982 214 T CA -0.215 61.611 62.100 -0.457 0.000 0.989 214 T CB 1.333 69.879 68.868 -0.536 0.000 1.058 214 T HN -0.066 nan 8.240 nan 0.000 0.529 215 S N 0.326 115.924 115.700 -0.169 0.000 2.359 215 S HA -0.163 4.306 4.470 -0.001 0.000 0.223 215 S C 2.060 176.599 174.600 -0.101 0.000 1.039 215 S CA 2.260 60.409 58.200 -0.086 0.000 1.042 215 S CB -1.356 61.832 63.200 -0.021 0.000 0.915 215 S HN 0.849 nan 8.310 nan 0.000 0.439 216 T N 0.710 115.180 114.554 -0.140 0.000 2.788 216 T HA -0.012 4.338 4.350 -0.001 0.000 0.268 216 T C 1.838 176.384 174.700 -0.257 0.000 1.044 216 T CA 1.321 63.362 62.100 -0.099 0.000 1.139 216 T CB -0.959 67.909 68.868 -0.001 0.000 0.867 216 T HN 0.580 nan 8.240 nan 0.000 0.454 217 G N 0.735 109.073 108.800 -0.770 0.000 2.422 217 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.218 217 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.218 217 G C 1.605 176.319 174.900 -0.310 0.000 1.140 217 G CA 0.364 44.857 45.100 -1.012 0.000 0.775 217 G HN 0.352 nan 8.290 nan 0.000 0.545 218 Q N -0.542 119.139 119.800 -0.198 0.000 2.269 218 Q HA 0.145 4.484 4.340 -0.001 0.000 0.201 218 Q C 2.455 178.457 176.000 0.004 0.000 0.946 218 Q CA 0.260 56.031 55.803 -0.053 0.000 0.877 218 Q CB -0.154 28.563 28.738 -0.034 0.000 0.963 218 Q HN 0.465 nan 8.270 nan 0.000 0.472 219 L N -0.288 120.960 121.223 0.042 0.000 2.093 219 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 219 L C 2.163 179.134 176.870 0.169 0.000 1.085 219 L CA 1.416 56.342 54.840 0.144 0.000 0.755 219 L CB -0.600 41.595 42.059 0.227 0.000 0.904 219 L HN 0.153 nan 8.230 nan 0.000 0.435 220 Y N 0.098 120.433 120.300 0.059 0.000 2.207 220 Y HA -0.257 4.292 4.550 -0.002 0.000 0.287 220 Y C 2.349 178.279 175.900 0.051 0.000 1.156 220 Y CA 1.667 59.831 58.100 0.106 0.000 1.182 220 Y CB 0.154 38.710 38.460 0.160 0.000 0.979 220 Y HN 0.244 nan 8.280 nan 0.000 0.521 221 E N -0.008 120.203 120.200 0.019 0.000 2.160 221 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 221 E C 2.081 178.563 176.600 -0.196 0.000 0.991 221 E CA 1.696 58.059 56.400 -0.061 0.000 0.810 221 E CB -0.358 29.358 29.700 0.026 0.000 0.742 221 E HN 0.651 nan 8.360 nan 0.000 0.466 222 M N -1.377 118.044 119.600 -0.300 0.000 2.248 222 M HA 0.022 4.501 4.480 -0.001 0.000 0.265 222 M C 0.775 176.629 176.300 -0.743 0.000 1.079 222 M CA 1.132 56.030 55.300 -0.670 0.000 1.150 222 M CB 0.112 32.066 32.600 -1.076 0.000 1.366 222 M HN -0.056 nan 8.290 nan 0.000 0.433 223 F N -0.456 119.405 119.950 -0.150 0.000 2.835 223 F HA 0.200 4.726 4.527 -0.002 0.000 0.342 223 F C 1.801 177.528 175.800 -0.121 0.000 1.202 223 F CA -0.591 57.341 58.000 -0.112 0.000 1.240 223 F CB 0.037 39.016 39.000 -0.034 0.000 1.005 223 F HN 0.086 nan 8.300 nan 0.000 0.507 224 S N -0.550 115.009 115.700 -0.235 0.000 2.399 224 S HA -0.224 4.245 4.470 -0.001 0.000 0.231 224 S C 2.246 176.780 174.600 -0.109 0.000 1.022 224 S CA 1.505 59.376 58.200 -0.549 0.000 0.983 224 S CB -0.748 61.842 63.200 -1.017 0.000 0.803 224 S HN 0.440 nan 8.310 nan 0.000 0.480 225 S N 1.165 116.884 115.700 0.032 0.000 2.440 225 S HA -0.045 4.424 4.470 -0.001 0.000 0.238 225 S C 1.668 176.414 174.600 0.244 0.000 1.010 225 S CA 1.070 59.357 58.200 0.144 0.000 0.972 225 S CB -0.759 62.552 63.200 0.185 0.000 0.774 225 S HN 0.446 nan 8.310 nan 0.000 0.501 226 V N 1.271 121.338 119.914 0.255 0.000 2.521 226 V HA 0.164 4.284 4.120 -0.001 0.000 0.239 226 V C 2.465 178.711 176.094 0.253 0.000 1.053 226 V CA 1.301 63.764 62.300 0.272 0.000 1.073 226 V CB -0.599 31.362 31.823 0.230 0.000 0.746 226 V HN 0.391 nan 8.190 nan 0.000 0.476 227 M N 0.909 120.660 119.600 0.251 0.000 2.374 227 M HA -0.146 4.333 4.480 -0.001 0.000 0.264 227 M C 2.089 178.627 176.300 0.397 0.000 1.067 227 M CA 1.506 57.000 55.300 0.325 0.000 1.103 227 M CB -0.429 32.433 32.600 0.436 0.000 1.402 227 M HN 0.412 nan 8.290 nan 0.000 0.444 228 K N -0.511 120.115 120.400 0.376 0.000 2.442 228 K HA -0.138 4.182 4.320 -0.001 0.000 0.198 228 K C 0.892 177.495 176.600 0.006 0.000 1.042 228 K CA 1.173 57.643 56.287 0.305 0.000 0.958 228 K CB -0.195 32.381 32.500 0.126 0.000 0.766 228 K HN 0.448 nan 8.250 nan 0.000 0.474 229 H N 0.075 119.305 119.070 0.266 0.000 2.586 229 H HA 0.296 4.851 4.556 -0.001 0.000 0.273 229 H C 0.138 175.550 175.328 0.141 0.000 0.997 229 H CA -0.105 56.049 56.048 0.177 0.000 1.177 229 H CB 0.381 30.218 29.762 0.125 0.000 1.471 229 H HN 0.090 nan 8.280 nan 0.000 0.538 230 L N 2.677 124.031 121.223 0.218 0.000 2.334 230 L HA 0.372 4.711 4.340 -0.001 0.000 0.273 230 L C -2.135 174.789 176.870 0.090 0.000 1.013 230 L CA -2.089 52.837 54.840 0.145 0.000 0.816 230 L CB 1.951 44.091 42.059 0.134 0.000 1.278 230 L HN -0.110 nan 8.230 nan 0.000 0.431 231 P HA 0.410 nan 4.420 nan 0.000 0.274 231 P C -0.254 177.034 177.300 -0.021 0.000 1.237 231 P CA 0.059 63.160 63.100 0.002 0.000 0.793 231 P CB 1.373 33.075 31.700 0.003 0.000 0.977 232 G N 0.846 109.599 108.800 -0.079 0.000 2.369 232 G HA2 0.080 4.039 3.960 -0.001 0.000 0.293 232 G HA3 0.080 4.039 3.960 -0.001 0.000 0.293 232 G C -2.748 172.039 174.900 -0.187 0.000 1.301 232 G CA -0.699 44.352 45.100 -0.082 0.000 0.913 232 G HN 0.124 nan 8.290 nan 0.000 0.540 233 P HA -0.102 nan 4.420 nan 0.000 0.218 233 P C 1.759 178.601 177.300 -0.764 0.000 1.146 233 P CA 1.643 64.596 63.100 -0.245 0.000 0.813 233 P CB 0.097 31.829 31.700 0.053 0.000 0.778 234 Q N -0.501 118.812 119.800 -0.811 0.000 2.096 234 Q HA -0.238 4.101 4.340 -0.001 0.000 0.208 234 Q C 2.250 177.086 176.000 -1.940 0.000 0.993 234 Q CA 1.554 56.415 55.803 -1.569 0.000 0.862 234 Q CB -1.127 26.978 28.738 -1.055 0.000 0.915 234 Q HN 0.307 nan 8.270 nan 0.000 0.416 235 Q N 0.264 119.408 119.800 -1.094 0.000 2.124 235 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 235 Q C 2.092 177.698 176.000 -0.657 0.000 0.977 235 Q CA 1.463 56.825 55.803 -0.735 0.000 0.850 235 Q CB -0.158 28.401 28.738 -0.298 0.000 0.901 235 Q HN 0.470 nan 8.270 nan 0.000 0.429 236 Q N 0.265 119.698 119.800 -0.611 0.000 2.079 236 Q HA -0.008 4.331 4.340 -0.001 0.000 0.200 236 Q C 2.010 177.688 176.000 -0.536 0.000 0.974 236 Q CA 1.569 57.102 55.803 -0.450 0.000 0.840 236 Q CB -0.491 28.048 28.738 -0.332 0.000 0.898 236 Q HN 0.414 nan 8.270 nan 0.000 0.430 237 A N 0.081 122.377 122.820 -0.872 0.000 1.883 237 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 237 A C 1.705 178.914 177.584 -0.626 0.000 1.186 237 A CA 1.536 53.068 52.037 -0.841 0.000 0.624 237 A CB -0.867 17.259 19.000 -1.456 0.000 0.822 237 A HN 0.353 nan 8.150 nan 0.000 0.444 238 F N 0.330 119.785 119.950 -0.825 0.000 2.095 238 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 238 F C 2.683 178.122 175.800 -0.601 0.000 1.104 238 F CA 1.277 58.635 58.000 -1.071 0.000 1.232 238 F CB -1.367 36.514 39.000 -1.866 0.000 0.987 238 F HN 0.331 nan 8.300 nan 0.000 0.475 239 Q N 0.175 119.827 119.800 -0.247 0.000 2.096 239 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 239 Q C 2.403 178.370 176.000 -0.054 0.000 0.982 239 Q CA 1.642 57.382 55.803 -0.104 0.000 0.850 239 Q CB -0.564 28.109 28.738 -0.109 0.000 0.901 239 Q HN 0.434 nan 8.270 nan 0.000 0.422 240 L N 0.334 121.500 121.223 -0.095 0.000 2.012 240 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 240 L C 2.415 179.325 176.870 0.067 0.000 1.073 240 L CA 1.139 55.966 54.840 -0.022 0.000 0.748 240 L CB -0.525 41.513 42.059 -0.036 0.000 0.891 240 L HN 0.283 nan 8.230 nan 0.000 0.431 241 L N -0.719 120.547 121.223 0.071 0.000 2.083 241 L HA -0.236 4.103 4.340 -0.001 0.000 0.209 241 L C 2.714 179.692 176.870 0.180 0.000 1.083 241 L CA 0.946 55.884 54.840 0.164 0.000 0.752 241 L CB -0.338 41.812 42.059 0.150 0.000 0.899 241 L HN 0.322 nan 8.230 nan 0.000 0.433 242 Q N 0.338 120.245 119.800 0.178 0.000 2.050 242 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 242 Q C 2.088 178.182 176.000 0.157 0.000 0.980 242 Q CA 2.093 58.019 55.803 0.205 0.000 0.840 242 Q CB -0.718 28.149 28.738 0.215 0.000 0.898 242 Q HN 0.406 nan 8.270 nan 0.000 0.424 243 G N 0.346 109.222 108.800 0.126 0.000 2.440 243 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 243 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 243 G C 1.387 176.395 174.900 0.181 0.000 1.154 243 G CA 1.055 46.229 45.100 0.123 0.000 0.767 243 G HN 0.387 nan 8.290 nan 0.000 0.552 244 L N -0.033 121.315 121.223 0.209 0.000 1.994 244 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 244 L C 2.781 179.859 176.870 0.347 0.000 1.071 244 L CA 1.644 56.667 54.840 0.306 0.000 0.745 244 L CB -0.464 41.805 42.059 0.349 0.000 0.892 244 L HN 0.319 nan 8.230 nan 0.000 0.431 245 E N 0.222 120.575 120.200 0.257 0.000 2.097 245 E HA -0.280 4.069 4.350 -0.001 0.000 0.196 245 E C 1.669 178.388 176.600 0.199 0.000 1.000 245 E CA 1.738 58.263 56.400 0.208 0.000 0.804 245 E CB 0.046 29.820 29.700 0.123 0.000 0.740 245 E HN 0.459 nan 8.360 nan 0.000 0.454 246 D N -0.200 120.313 120.400 0.188 0.000 2.144 246 D HA -0.167 4.472 4.640 -0.001 0.000 0.199 246 D C 1.659 178.068 176.300 0.182 0.000 0.984 246 D CA 0.788 54.882 54.000 0.156 0.000 0.834 246 D CB -0.422 40.458 40.800 0.132 0.000 0.955 246 D HN 0.245 nan 8.370 nan 0.000 0.465 247 F N 1.374 121.381 119.950 0.094 0.000 2.186 247 F HA -0.143 4.383 4.527 -0.002 0.000 0.299 247 F C 2.041 177.876 175.800 0.059 0.000 1.090 247 F CA 0.876 58.914 58.000 0.064 0.000 1.307 247 F CB 0.059 39.112 39.000 0.088 0.000 1.019 247 F HN -0.176 nan 8.300 nan 0.000 0.489 248 I N 0.872 121.594 120.570 0.254 0.000 2.202 248 I HA -0.232 3.937 4.170 -0.001 0.000 0.242 248 I C 2.787 178.932 176.117 0.046 0.000 1.091 248 I CA 1.450 62.858 61.300 0.180 0.000 1.368 248 I CB -2.210 35.986 38.000 0.327 0.000 1.058 248 I HN 0.228 nan 8.210 nan 0.000 0.410 249 A N 1.230 124.090 122.820 0.067 0.000 1.940 249 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 249 A C 2.459 180.037 177.584 -0.010 0.000 1.176 249 A CA 2.089 54.148 52.037 0.037 0.000 0.631 249 A CB -0.605 18.425 19.000 0.049 0.000 0.814 249 A HN 0.517 nan 8.150 nan 0.000 0.446 250 K N -0.759 119.607 120.400 -0.057 0.000 2.155 250 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 250 K C 1.667 178.161 176.600 -0.176 0.000 1.052 250 K CA 1.157 57.383 56.287 -0.101 0.000 0.948 250 K CB -0.103 32.340 32.500 -0.095 0.000 0.728 250 K HN 0.195 nan 8.250 nan 0.000 0.448 251 K N 0.895 121.100 120.400 -0.324 0.000 2.103 251 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 251 K C 2.207 178.768 176.600 -0.065 0.000 1.052 251 K CA 0.947 57.042 56.287 -0.319 0.000 0.945 251 K CB -0.273 31.885 32.500 -0.570 0.000 0.722 251 K HN 0.045 nan 8.250 nan 0.000 0.443 252 V N 1.774 121.680 119.914 -0.014 0.000 2.261 252 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 252 V C 2.412 178.527 176.094 0.034 0.000 1.047 252 V CA 1.668 63.994 62.300 0.043 0.000 1.015 252 V CB -0.422 31.433 31.823 0.053 0.000 0.642 252 V HN 0.391 nan 8.190 nan 0.000 0.446 253 E N -0.296 119.915 120.200 0.019 0.000 2.095 253 E HA -0.387 3.962 4.350 -0.001 0.000 0.212 253 E C 2.180 178.791 176.600 0.018 0.000 1.044 253 E CA 2.507 58.916 56.400 0.016 0.000 0.857 253 E CB -0.285 29.421 29.700 0.009 0.000 0.764 253 E HN 0.799 nan 8.360 nan 0.000 0.462 254 H N 0.189 119.221 119.070 -0.064 0.000 2.319 254 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 254 H C 1.766 177.068 175.328 -0.042 0.000 1.092 254 H CA 2.308 58.317 56.048 -0.065 0.000 1.302 254 H CB -0.131 29.567 29.762 -0.106 0.000 1.373 254 H HN 0.104 nan 8.280 nan 0.000 0.497 255 N N -0.313 118.401 118.700 0.023 0.000 2.453 255 N HA -0.111 4.628 4.740 -0.001 0.000 0.183 255 N C 1.746 177.234 175.510 -0.036 0.000 1.041 255 N CA 0.876 53.926 53.050 0.001 0.000 0.900 255 N CB -0.035 38.494 38.487 0.070 0.000 0.961 255 N HN 0.514 nan 8.380 nan 0.000 0.443 256 Q N 0.127 119.905 119.800 -0.037 0.000 2.049 256 Q HA 0.062 4.401 4.340 -0.001 0.000 0.198 256 Q C 1.641 177.606 176.000 -0.058 0.000 0.971 256 Q CA 0.904 56.693 55.803 -0.024 0.000 0.833 256 Q CB 0.245 28.980 28.738 -0.004 0.000 0.896 256 Q HN 0.240 nan 8.270 nan 0.000 0.434 257 R N -0.383 120.052 120.500 -0.108 0.000 2.127 257 R HA -0.087 4.253 4.340 -0.001 0.000 0.238 257 R C 1.688 177.915 176.300 -0.122 0.000 1.134 257 R CA 1.777 57.805 56.100 -0.120 0.000 0.975 257 R CB -0.828 29.372 30.300 -0.166 0.000 0.865 257 R HN 0.364 nan 8.270 nan 0.000 0.447 258 T N -1.098 113.363 114.554 -0.156 0.000 3.092 258 T HA 0.202 4.551 4.350 -0.001 0.000 0.258 258 T C 0.633 175.298 174.700 -0.058 0.000 1.031 258 T CA -0.574 61.454 62.100 -0.120 0.000 0.925 258 T CB -0.004 68.761 68.868 -0.170 0.000 1.036 258 T HN -0.065 nan 8.240 nan 0.000 0.544 259 L N 3.064 124.263 121.223 -0.041 0.000 2.490 259 L HA 0.286 4.626 4.340 -0.001 0.000 0.274 259 L C -0.124 176.745 176.870 -0.002 0.000 1.201 259 L CA 0.431 55.266 54.840 -0.008 0.000 0.869 259 L CB 0.306 42.368 42.059 0.005 0.000 1.123 259 L HN 0.084 nan 8.230 nan 0.000 0.484 260 D N 6.629 127.036 120.400 0.012 0.000 2.477 260 D HA 0.289 4.928 4.640 -0.001 0.000 0.239 260 D C -1.892 174.419 176.300 0.019 0.000 1.102 260 D CA -1.708 52.299 54.000 0.013 0.000 0.901 260 D CB 1.530 42.341 40.800 0.017 0.000 1.026 260 D HN 0.381 nan 8.370 nan 0.000 0.515 261 P HA -0.106 nan 4.420 nan 0.000 0.221 261 P C 0.530 177.835 177.300 0.008 0.000 1.141 261 P CA 1.100 64.205 63.100 0.009 0.000 0.794 261 P CB 0.403 32.102 31.700 -0.001 0.000 0.764 262 N N -2.522 116.184 118.700 0.009 0.000 2.388 262 N HA 0.050 4.789 4.740 -0.001 0.000 0.176 262 N C 0.058 175.577 175.510 0.015 0.000 1.062 262 N CA 0.347 53.401 53.050 0.006 0.000 0.895 262 N CB 0.302 38.790 38.487 0.001 0.000 1.018 262 N HN -0.154 nan 8.380 nan 0.000 0.456 263 S N 1.290 117.007 115.700 0.028 0.000 2.395 263 S HA 0.322 4.791 4.470 -0.001 0.000 0.207 263 S C -2.773 171.873 174.600 0.076 0.000 1.454 263 S CA -1.428 56.800 58.200 0.046 0.000 1.211 263 S CB 0.429 63.652 63.200 0.037 0.000 1.093 263 S HN 0.015 nan 8.310 nan 0.000 0.472 264 P HA 0.245 nan 4.420 nan 0.000 0.271 264 P C 0.164 177.605 177.300 0.234 0.000 1.220 264 P CA -0.334 62.874 63.100 0.179 0.000 0.768 264 P CB 0.805 32.653 31.700 0.246 0.000 0.848 265 R N 1.591 122.171 120.500 0.133 0.000 2.161 265 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 265 R C 0.321 176.549 176.300 -0.119 0.000 1.055 265 R CA 0.986 57.122 56.100 0.061 0.000 0.996 265 R CB -0.088 30.227 30.300 0.026 0.000 0.901 265 R HN 0.664 nan 8.270 nan 0.000 0.456 266 D N -3.404 116.835 120.400 -0.269 0.000 2.879 266 D HA -0.090 4.549 4.640 -0.001 0.000 0.346 266 D C 0.058 176.106 176.300 -0.420 0.000 1.390 266 D CA -0.790 52.764 54.000 -0.744 0.000 0.838 266 D CB -0.365 40.254 40.800 -0.302 0.000 1.416 266 D HN -0.180 nan 8.370 nan 0.000 0.493 267 F N 0.393 120.113 119.950 -0.384 0.000 2.126 267 F HA 0.025 4.551 4.527 -0.002 0.000 0.299 267 F C 1.941 177.862 175.800 0.201 0.000 1.096 267 F CA 1.577 59.598 58.000 0.034 0.000 1.255 267 F CB -0.148 38.864 39.000 0.019 0.000 0.997 267 F HN 0.360 nan 8.300 nan 0.000 0.479 268 I N -0.006 120.729 120.570 0.275 0.000 2.163 268 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 268 I C 2.028 178.261 176.117 0.193 0.000 1.085 268 I CA 1.611 63.052 61.300 0.234 0.000 1.347 268 I CB -0.643 37.474 38.000 0.194 0.000 1.044 268 I HN 0.095 nan 8.210 nan 0.000 0.408 269 D N 0.750 121.239 120.400 0.148 0.000 2.104 269 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 269 D C 2.397 178.800 176.300 0.172 0.000 0.994 269 D CA 1.518 55.603 54.000 0.142 0.000 0.830 269 D CB -0.262 40.611 40.800 0.121 0.000 0.959 269 D HN 0.175 nan 8.370 nan 0.000 0.452 270 S N -0.232 115.603 115.700 0.225 0.000 2.400 270 S HA -0.160 4.310 4.470 -0.001 0.000 0.232 270 S C 1.778 176.563 174.600 0.310 0.000 1.025 270 S CA 0.588 58.944 58.200 0.260 0.000 0.993 270 S CB -0.347 63.015 63.200 0.270 0.000 0.808 270 S HN 0.294 nan 8.310 nan 0.000 0.478 271 F N 1.580 121.596 119.950 0.111 0.000 2.187 271 F HA 0.146 4.672 4.527 -0.002 0.000 0.295 271 F C 1.826 177.573 175.800 -0.088 0.000 1.091 271 F CA 0.739 58.682 58.000 -0.094 0.000 1.308 271 F CB -0.105 38.891 39.000 -0.008 0.000 1.030 271 F HN 0.050 nan 8.300 nan 0.000 0.487 272 L N 0.011 121.399 121.223 0.275 0.000 2.187 272 L HA -0.252 4.087 4.340 -0.001 0.000 0.213 272 L C 2.215 179.112 176.870 0.045 0.000 1.100 272 L CA 1.135 56.077 54.840 0.170 0.000 0.765 272 L CB -0.530 41.611 42.059 0.137 0.000 0.904 272 L HN 0.247 nan 8.230 nan 0.000 0.437 273 I N -0.935 119.638 120.570 0.004 0.000 2.233 273 I HA -0.250 3.919 4.170 -0.001 0.000 0.243 273 I C 2.754 178.779 176.117 -0.155 0.000 1.093 273 I CA 0.701 61.973 61.300 -0.047 0.000 1.380 273 I CB -0.143 37.848 38.000 -0.015 0.000 1.067 273 I HN 0.149 nan 8.210 nan 0.000 0.413 274 R N 1.032 121.345 120.500 -0.313 0.000 2.096 274 R HA -0.183 4.156 4.340 -0.001 0.000 0.240 274 R C 2.228 178.250 176.300 -0.462 0.000 1.139 274 R CA 1.935 57.669 56.100 -0.610 0.000 0.952 274 R CB -0.428 29.082 30.300 -1.317 0.000 0.854 274 R HN 0.239 nan 8.270 nan 0.000 0.436 275 M N -0.365 119.061 119.600 -0.290 0.000 2.080 275 M HA -0.258 4.221 4.480 -0.001 0.000 0.260 275 M C 2.399 178.680 176.300 -0.031 0.000 1.068 275 M CA 1.969 57.233 55.300 -0.060 0.000 1.109 275 M CB -0.341 32.320 32.600 0.102 0.000 1.342 275 M HN 0.242 nan 8.290 nan 0.000 0.405 276 Q N 0.252 120.028 119.800 -0.041 0.000 2.045 276 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 276 Q C 1.795 177.764 176.000 -0.051 0.000 0.991 276 Q CA 1.836 57.620 55.803 -0.030 0.000 0.851 276 Q CB -0.098 28.623 28.738 -0.028 0.000 0.911 276 Q HN 0.546 nan 8.270 nan 0.000 0.418 277 E N -0.187 119.954 120.200 -0.099 0.000 2.268 277 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 277 E C 0.994 177.539 176.600 -0.092 0.000 0.995 277 E CA 0.570 56.906 56.400 -0.106 0.000 0.836 277 E CB 0.216 29.822 29.700 -0.157 0.000 0.763 277 E HN 0.267 nan 8.360 nan 0.000 0.491 278 E N 0.213 120.361 120.200 -0.087 0.000 2.501 278 E HA 0.023 4.372 4.350 -0.001 0.000 0.200 278 E C 0.889 177.503 176.600 0.022 0.000 1.016 278 E CA 0.015 56.396 56.400 -0.032 0.000 0.921 278 E CB 0.485 30.177 29.700 -0.014 0.000 1.034 278 E HN 0.305 nan 8.360 nan 0.000 0.468 279 E N 1.066 121.274 120.200 0.014 0.000 2.118 279 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 279 E C 1.204 177.820 176.600 0.027 0.000 0.992 279 E CA 1.060 57.478 56.400 0.030 0.000 0.804 279 E CB 0.145 29.857 29.700 0.020 0.000 0.741 279 E HN 0.039 nan 8.360 nan 0.000 0.458 280 K N 0.537 120.946 120.400 0.014 0.000 2.444 280 K HA 0.021 4.340 4.320 -0.001 0.000 0.193 280 K C 0.205 176.816 176.600 0.019 0.000 1.024 280 K CA -0.164 56.130 56.287 0.013 0.000 1.077 280 K CB 0.159 32.661 32.500 0.004 0.000 0.833 280 K HN -0.071 nan 8.250 nan 0.000 0.517 281 N N 1.585 120.302 118.700 0.030 0.000 2.439 281 N HA 0.078 4.818 4.740 -0.001 0.000 0.249 281 N C -2.033 173.510 175.510 0.055 0.000 1.003 281 N CA -2.255 50.820 53.050 0.042 0.000 0.942 281 N CB 1.260 39.778 38.487 0.051 0.000 1.115 281 N HN -0.119 nan 8.380 nan 0.000 0.505 282 P HA 0.100 nan 4.420 nan 0.000 0.245 282 P C -0.409 176.921 177.300 0.049 0.000 1.206 282 P CA 0.564 63.687 63.100 0.039 0.000 0.781 282 P CB 0.442 32.155 31.700 0.023 0.000 0.994 283 N N -0.543 118.194 118.700 0.062 0.000 2.328 283 N HA 0.039 4.778 4.740 -0.001 0.000 0.247 283 N C 0.232 175.807 175.510 0.109 0.000 1.165 283 N CA 0.078 53.171 53.050 0.072 0.000 0.873 283 N CB 0.502 39.019 38.487 0.051 0.000 1.125 283 N HN 0.023 nan 8.380 nan 0.000 0.513 284 T N 0.794 115.435 114.554 0.146 0.000 2.926 284 T HA 0.026 4.375 4.350 -0.001 0.000 0.307 284 T C 1.155 175.999 174.700 0.241 0.000 1.059 284 T CA 0.258 62.474 62.100 0.193 0.000 1.122 284 T CB 0.989 69.991 68.868 0.222 0.000 0.972 284 T HN 0.036 nan 8.240 nan 0.000 0.545 285 E N 2.876 123.086 120.200 0.017 0.000 2.474 285 E HA 0.081 4.430 4.350 -0.001 0.000 0.194 285 E C -0.297 175.894 176.600 -0.681 0.000 1.041 285 E CA 0.283 56.506 56.400 -0.294 0.000 0.874 285 E CB 0.111 29.524 29.700 -0.479 0.000 0.914 285 E HN 0.624 nan 8.360 nan 0.000 0.498 286 F N 1.886 121.733 119.950 -0.172 0.000 2.329 286 F HA 0.224 4.750 4.527 -0.001 0.000 0.362 286 F C -0.048 175.769 175.800 0.027 0.000 1.113 286 F CA -1.019 56.832 58.000 -0.249 0.000 1.212 286 F CB -0.159 38.508 39.000 -0.555 0.000 1.509 286 F HN -0.150 nan 8.300 nan 0.000 0.546 287 Y N -0.714 119.773 120.300 0.312 0.000 2.669 287 Y HA 0.536 5.086 4.550 -0.001 0.000 0.335 287 Y C 0.480 176.529 175.900 0.249 0.000 1.116 287 Y CA -1.678 56.565 58.100 0.239 0.000 1.081 287 Y CB 0.141 38.687 38.460 0.143 0.000 1.297 287 Y HN 0.075 nan 8.280 nan 0.000 0.484 288 L N 1.628 123.071 121.223 0.368 0.000 1.997 288 L HA -0.155 4.185 4.340 -0.001 0.000 0.216 288 L C 2.289 179.236 176.870 0.128 0.000 1.074 288 L CA 2.367 57.328 54.840 0.200 0.000 0.763 288 L CB -0.751 41.397 42.059 0.147 0.000 0.890 288 L HN 0.914 nan 8.230 nan 0.000 0.434 289 K N -0.964 119.556 120.400 0.199 0.000 2.063 289 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 289 K C 1.904 178.532 176.600 0.047 0.000 1.048 289 K CA 1.643 57.961 56.287 0.051 0.000 0.928 289 K CB -0.111 32.302 32.500 -0.146 0.000 0.713 289 K HN 0.355 nan 8.250 nan 0.000 0.442 290 N N 0.650 119.349 118.700 -0.002 0.000 2.309 290 N HA -0.137 4.602 4.740 -0.001 0.000 0.182 290 N C 1.422 176.799 175.510 -0.221 0.000 1.018 290 N CA 0.611 53.624 53.050 -0.062 0.000 0.876 290 N CB -0.105 38.224 38.487 -0.262 0.000 0.972 290 N HN 0.151 nan 8.380 nan 0.000 0.434 291 L N 0.199 121.186 121.223 -0.394 0.000 2.068 291 L HA 0.029 4.368 4.340 -0.001 0.000 0.204 291 L C 1.892 178.633 176.870 -0.215 0.000 1.076 291 L CA 1.265 55.666 54.840 -0.732 0.000 0.753 291 L CB -0.773 40.957 42.059 -0.547 0.000 0.910 291 L HN -0.116 nan 8.230 nan 0.000 0.439 292 V N -0.106 119.781 119.914 -0.046 0.000 2.332 292 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 292 V C 2.607 178.798 176.094 0.163 0.000 1.055 292 V CA 1.956 64.302 62.300 0.076 0.000 1.038 292 V CB -0.648 31.224 31.823 0.081 0.000 0.651 292 V HN 0.416 nan 8.190 nan 0.000 0.450 293 M N -0.678 119.032 119.600 0.183 0.000 2.236 293 M HA -0.055 4.424 4.480 -0.001 0.000 0.266 293 M C 2.303 178.779 176.300 0.293 0.000 1.070 293 M CA 1.551 57.069 55.300 0.364 0.000 1.137 293 M CB -1.663 31.214 32.600 0.461 0.000 1.378 293 M HN 0.359 nan 8.290 nan 0.000 0.426 294 T N 0.797 115.445 114.554 0.156 0.000 2.720 294 T HA -0.117 4.233 4.350 -0.001 0.000 0.268 294 T C 1.856 176.610 174.700 0.091 0.000 1.037 294 T CA 2.002 64.180 62.100 0.129 0.000 1.144 294 T CB -0.337 68.648 68.868 0.195 0.000 0.864 294 T HN 0.388 nan 8.240 nan 0.000 0.444 295 T N 2.280 116.901 114.554 0.113 0.000 2.777 295 T HA 0.004 4.353 4.350 -0.001 0.000 0.266 295 T C 1.866 176.701 174.700 0.225 0.000 1.040 295 T CA 0.583 62.739 62.100 0.093 0.000 1.141 295 T CB -0.442 68.517 68.868 0.152 0.000 0.868 295 T HN 0.065 nan 8.240 nan 0.000 0.444 296 L N 2.086 123.519 121.223 0.350 0.000 1.970 296 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 296 L C 1.918 179.052 176.870 0.440 0.000 1.071 296 L CA 1.761 56.906 54.840 0.508 0.000 0.751 296 L CB -1.346 41.056 42.059 0.572 0.000 0.889 296 L HN 0.298 nan 8.230 nan 0.000 0.432 297 N N -0.897 117.971 118.700 0.280 0.000 2.049 297 N HA -0.285 4.455 4.740 -0.001 0.000 0.198 297 N C 1.864 177.399 175.510 0.041 0.000 1.030 297 N CA 1.943 55.011 53.050 0.031 0.000 0.870 297 N CB -0.335 38.083 38.487 -0.116 0.000 1.045 297 N HN 0.355 nan 8.380 nan 0.000 0.434 298 L N -0.571 120.667 121.223 0.025 0.000 2.044 298 L HA -0.117 4.222 4.340 -0.001 0.000 0.205 298 L C 2.235 179.154 176.870 0.081 0.000 1.075 298 L CA 0.782 55.599 54.840 -0.038 0.000 0.747 298 L CB -0.458 41.472 42.059 -0.216 0.000 0.903 298 L HN 0.211 nan 8.230 nan 0.000 0.435 299 F N 0.260 120.207 119.950 -0.006 0.000 2.134 299 F HA -0.263 4.263 4.527 -0.002 0.000 0.299 299 F C 2.247 178.126 175.800 0.132 0.000 1.097 299 F CA 1.268 59.301 58.000 0.056 0.000 1.264 299 F CB -0.509 38.578 39.000 0.145 0.000 1.001 299 F HN -0.083 nan 8.300 nan 0.000 0.479 300 F N 0.121 120.034 119.950 -0.061 0.000 2.118 300 F HA 0.016 4.543 4.527 -0.001 0.000 0.293 300 F C 2.439 178.143 175.800 -0.160 0.000 1.102 300 F CA 1.310 59.209 58.000 -0.167 0.000 1.247 300 F CB -0.553 38.450 39.000 0.005 0.000 1.017 300 F HN -0.026 nan 8.300 nan 0.000 0.475 301 A N -0.097 122.843 122.820 0.199 0.000 1.933 301 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 301 A C 2.215 179.797 177.584 -0.002 0.000 1.175 301 A CA 1.613 53.685 52.037 0.059 0.000 0.628 301 A CB -1.631 17.323 19.000 -0.076 0.000 0.814 301 A HN 0.476 nan 8.150 nan 0.000 0.444 302 G N -2.266 106.528 108.800 -0.009 0.000 2.920 302 G HA2 0.185 4.144 3.960 -0.001 0.000 0.208 302 G HA3 0.185 4.144 3.960 -0.001 0.000 0.208 302 G C 1.189 176.083 174.900 -0.009 0.000 1.159 302 G CA 1.259 46.356 45.100 -0.005 0.000 0.784 302 G HN 0.424 nan 8.290 nan 0.000 0.535 303 T N -0.076 114.424 114.554 -0.091 0.000 3.053 303 T HA 0.061 4.410 4.350 -0.001 0.000 0.236 303 T C 2.061 176.634 174.700 -0.212 0.000 0.996 303 T CA 0.884 62.886 62.100 -0.162 0.000 1.185 303 T CB 0.191 68.850 68.868 -0.348 0.000 0.892 303 T HN 0.228 nan 8.240 nan 0.000 0.432 304 E N 1.132 121.148 120.200 -0.307 0.000 2.170 304 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 304 E C 2.351 178.701 176.600 -0.417 0.000 0.981 304 E CA 1.400 57.514 56.400 -0.477 0.000 0.830 304 E CB -0.266 28.976 29.700 -0.763 0.000 0.775 304 E HN 0.593 nan 8.360 nan 0.000 0.470 305 T N -2.085 112.321 114.554 -0.247 0.000 2.770 305 T HA -0.084 4.265 4.350 -0.001 0.000 0.263 305 T C 2.002 176.691 174.700 -0.019 0.000 1.039 305 T CA 1.224 63.274 62.100 -0.083 0.000 1.142 305 T CB -0.731 68.139 68.868 0.003 0.000 0.868 305 T HN -0.021 nan 8.240 nan 0.000 0.435 306 V N 1.657 121.568 119.914 -0.005 0.000 2.343 306 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 306 V C 3.078 179.168 176.094 -0.007 0.000 1.051 306 V CA 1.975 64.293 62.300 0.031 0.000 1.036 306 V CB -1.039 30.830 31.823 0.077 0.000 0.654 306 V HN 0.614 nan 8.190 nan 0.000 0.451 307 S N -0.315 115.349 115.700 -0.059 0.000 2.370 307 S HA -0.241 4.228 4.470 -0.001 0.000 0.226 307 S C 2.072 176.643 174.600 -0.049 0.000 1.033 307 S CA 2.471 60.616 58.200 -0.093 0.000 1.011 307 S CB -0.386 62.708 63.200 -0.177 0.000 0.852 307 S HN 0.723 nan 8.310 nan 0.000 0.457 308 T N 1.069 115.605 114.554 -0.030 0.000 2.821 308 T HA -0.047 4.302 4.350 -0.001 0.000 0.267 308 T C 1.908 176.695 174.700 0.145 0.000 1.046 308 T CA 1.721 63.858 62.100 0.061 0.000 1.139 308 T CB -0.754 68.192 68.868 0.130 0.000 0.871 308 T HN 0.525 nan 8.240 nan 0.000 0.454 309 T N 2.637 117.262 114.554 0.118 0.000 2.777 309 T HA 0.092 4.442 4.350 -0.001 0.000 0.266 309 T C 2.022 176.831 174.700 0.182 0.000 1.040 309 T CA 0.739 62.940 62.100 0.168 0.000 1.141 309 T CB -0.446 68.500 68.868 0.131 0.000 0.868 309 T HN 0.238 nan 8.240 nan 0.000 0.444 310 L N 0.452 121.671 121.223 -0.008 0.000 2.017 310 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 310 L C 2.938 179.881 176.870 0.123 0.000 1.073 310 L CA 1.466 56.177 54.840 -0.216 0.000 0.745 310 L CB -0.494 41.451 42.059 -0.191 0.000 0.894 310 L HN 0.156 nan 8.230 nan 0.000 0.432 311 R N -0.750 119.880 120.500 0.217 0.000 2.073 311 R HA -0.225 4.114 4.340 -0.001 0.000 0.234 311 R C 2.433 178.981 176.300 0.413 0.000 1.134 311 R CA 1.759 58.055 56.100 0.327 0.000 0.952 311 R CB -0.476 29.904 30.300 0.134 0.000 0.850 311 R HN 0.299 nan 8.270 nan 0.000 0.433 312 Y N -0.153 120.265 120.300 0.196 0.000 2.181 312 Y HA -0.161 4.388 4.550 -0.001 0.000 0.288 312 Y C 2.267 178.192 175.900 0.042 0.000 1.146 312 Y CA 0.782 58.959 58.100 0.127 0.000 1.164 312 Y CB -0.223 38.306 38.460 0.114 0.000 0.982 312 Y HN 0.332 nan 8.280 nan 0.000 0.515 313 G N -0.472 108.489 108.800 0.267 0.000 2.469 313 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.220 313 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.220 313 G C 1.330 176.188 174.900 -0.070 0.000 1.136 313 G CA 1.112 46.239 45.100 0.045 0.000 0.759 313 G HN 0.444 nan 8.290 nan 0.000 0.562 314 F N -0.640 119.464 119.950 0.256 0.000 2.335 314 F HA 0.198 4.724 4.527 -0.001 0.000 0.296 314 F C 2.354 178.109 175.800 -0.074 0.000 1.091 314 F CA -0.142 57.942 58.000 0.141 0.000 1.399 314 F CB -0.145 38.993 39.000 0.231 0.000 1.067 314 F HN 0.060 nan 8.300 nan 0.000 0.520 315 L N 0.100 121.320 121.223 -0.004 0.000 2.012 315 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 315 L C 2.114 178.843 176.870 -0.234 0.000 1.073 315 L CA 1.669 56.312 54.840 -0.329 0.000 0.748 315 L CB -0.852 40.969 42.059 -0.396 0.000 0.891 315 L HN 0.025 nan 8.230 nan 0.000 0.431 316 L N -0.982 120.096 121.223 -0.242 0.000 2.046 316 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 316 L C 2.487 179.116 176.870 -0.402 0.000 1.077 316 L CA 1.673 56.196 54.840 -0.528 0.000 0.747 316 L CB -1.210 40.246 42.059 -1.004 0.000 0.896 316 L HN 0.288 nan 8.230 nan 0.000 0.432 317 L N -1.743 119.335 121.223 -0.243 0.000 2.141 317 L HA -0.203 4.137 4.340 -0.001 0.000 0.209 317 L C 2.419 179.256 176.870 -0.055 0.000 1.094 317 L CA 1.034 55.821 54.840 -0.089 0.000 0.763 317 L CB -0.333 41.721 42.059 -0.007 0.000 0.908 317 L HN 0.260 nan 8.230 nan 0.000 0.437 318 M N -0.820 118.725 119.600 -0.092 0.000 2.492 318 M HA -0.113 4.366 4.480 -0.001 0.000 0.262 318 M C 2.066 178.275 176.300 -0.152 0.000 1.090 318 M CA 0.937 56.171 55.300 -0.110 0.000 1.110 318 M CB -0.076 32.440 32.600 -0.140 0.000 1.407 318 M HN -0.013 nan 8.290 nan 0.000 0.470 319 K N 0.343 120.616 120.400 -0.211 0.000 2.228 319 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 319 K C -0.277 176.033 176.600 -0.482 0.000 1.051 319 K CA 1.219 57.302 56.287 -0.339 0.000 0.960 319 K CB 0.086 32.353 32.500 -0.388 0.000 0.743 319 K HN 0.329 nan 8.250 nan 0.000 0.458 320 H N -0.547 118.465 119.070 -0.097 0.000 2.423 320 H HA 0.245 4.801 4.556 -0.001 0.000 0.237 320 H C -2.194 173.137 175.328 0.005 0.000 1.391 320 H CA -1.877 54.165 56.048 -0.009 0.000 1.453 320 H CB 1.488 31.305 29.762 0.092 0.000 1.484 320 H HN 0.106 nan 8.280 nan 0.000 0.505 321 P HA -0.136 nan 4.420 nan 0.000 0.221 321 P C 1.105 178.434 177.300 0.049 0.000 1.150 321 P CA 1.028 64.147 63.100 0.031 0.000 0.800 321 P CB 0.534 32.236 31.700 0.004 0.000 0.787 322 E N -0.451 119.792 120.200 0.071 0.000 2.110 322 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 322 E C 1.902 178.546 176.600 0.073 0.000 0.988 322 E CA 0.999 57.435 56.400 0.061 0.000 0.804 322 E CB -0.540 29.198 29.700 0.063 0.000 0.745 322 E HN 0.107 nan 8.360 nan 0.000 0.458 323 V N 1.589 121.589 119.914 0.142 0.000 2.358 323 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 323 V C 2.419 178.597 176.094 0.140 0.000 1.047 323 V CA 1.956 64.380 62.300 0.206 0.000 1.035 323 V CB -0.457 31.538 31.823 0.286 0.000 0.658 323 V HN 0.295 nan 8.190 nan 0.000 0.452 324 E N 0.469 120.699 120.200 0.050 0.000 2.085 324 E HA -0.259 4.090 4.350 -0.001 0.000 0.194 324 E C 2.212 178.703 176.600 -0.181 0.000 0.994 324 E CA 1.507 57.850 56.400 -0.095 0.000 0.801 324 E CB -0.216 29.419 29.700 -0.109 0.000 0.743 324 E HN 0.556 nan 8.360 nan 0.000 0.453 325 A N 1.369 124.162 122.820 -0.045 0.000 1.908 325 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 325 A C 2.063 179.645 177.584 -0.004 0.000 1.181 325 A CA 1.646 53.694 52.037 0.019 0.000 0.627 325 A CB -0.354 18.666 19.000 0.033 0.000 0.818 325 A HN 0.160 nan 8.150 nan 0.000 0.445 326 K N -0.499 119.858 120.400 -0.073 0.000 2.097 326 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 326 K C 1.913 178.456 176.600 -0.095 0.000 1.050 326 K CA 1.242 57.392 56.287 -0.227 0.000 0.938 326 K CB -0.337 31.768 32.500 -0.659 0.000 0.718 326 K HN 0.332 nan 8.250 nan 0.000 0.442 327 V N 1.002 120.955 119.914 0.065 0.000 2.295 327 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 327 V C 1.953 178.125 176.094 0.130 0.000 1.049 327 V CA 1.749 64.130 62.300 0.136 0.000 1.024 327 V CB -0.609 31.261 31.823 0.079 0.000 0.648 327 V HN 0.371 nan 8.190 nan 0.000 0.447 328 H N -0.622 118.497 119.070 0.081 0.000 2.319 328 H HA -0.191 4.364 4.556 -0.001 0.000 0.299 328 H C 2.528 177.877 175.328 0.036 0.000 1.092 328 H CA 1.423 57.507 56.048 0.060 0.000 1.302 328 H CB 0.062 29.857 29.762 0.055 0.000 1.373 328 H HN 0.319 nan 8.280 nan 0.000 0.497 329 E N 1.276 121.562 120.200 0.142 0.000 2.130 329 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 329 E C 1.921 178.553 176.600 0.054 0.000 0.998 329 E CA 1.389 57.826 56.400 0.061 0.000 0.806 329 E CB -0.001 29.700 29.700 0.001 0.000 0.738 329 E HN 0.587 nan 8.360 nan 0.000 0.459 330 E N -0.558 119.683 120.200 0.068 0.000 2.170 330 E HA -0.041 4.308 4.350 -0.001 0.000 0.191 330 E C 2.323 178.979 176.600 0.093 0.000 0.981 330 E CA 0.356 56.802 56.400 0.077 0.000 0.830 330 E CB 0.089 29.852 29.700 0.106 0.000 0.775 330 E HN 0.269 nan 8.360 nan 0.000 0.470 331 I N 1.400 122.037 120.570 0.112 0.000 2.286 331 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 331 I C 1.747 177.908 176.117 0.075 0.000 1.104 331 I CA 0.793 62.155 61.300 0.103 0.000 1.397 331 I CB -0.109 37.964 38.000 0.122 0.000 1.072 331 I HN -0.022 nan 8.210 nan 0.000 0.417 332 D N 0.728 121.169 120.400 0.068 0.000 2.123 332 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 332 D C 2.195 178.515 176.300 0.033 0.000 0.992 332 D CA 1.169 55.191 54.000 0.037 0.000 0.833 332 D CB -0.278 40.537 40.800 0.026 0.000 0.954 332 D HN 0.310 nan 8.370 nan 0.000 0.455 333 R N 0.477 121.000 120.500 0.039 0.000 2.093 333 R HA -0.032 4.307 4.340 -0.001 0.000 0.224 333 R C 1.828 178.150 176.300 0.036 0.000 1.101 333 R CA 0.851 56.970 56.100 0.032 0.000 0.979 333 R CB 0.064 30.381 30.300 0.028 0.000 0.877 333 R HN 0.024 nan 8.270 nan 0.000 0.441 334 V N 0.239 120.183 119.914 0.050 0.000 2.575 334 V HA -0.015 4.104 4.120 -0.001 0.000 0.242 334 V C 2.044 178.171 176.094 0.055 0.000 1.045 334 V CA 1.178 63.511 62.300 0.054 0.000 1.065 334 V CB 0.053 31.918 31.823 0.071 0.000 0.717 334 V HN 0.281 nan 8.190 nan 0.000 0.467 335 I N -1.131 119.475 120.570 0.060 0.000 3.300 335 I HA 0.481 4.651 4.170 -0.001 0.000 0.279 335 I C 1.331 177.471 176.117 0.039 0.000 1.172 335 I CA 0.974 62.309 61.300 0.057 0.000 1.431 335 I CB 0.270 38.312 38.000 0.070 0.000 1.240 335 I HN 0.469 nan 8.210 nan 0.000 0.453 336 G N 1.640 110.460 108.800 0.033 0.000 2.627 336 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.214 336 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.214 336 G C 0.201 175.107 174.900 0.010 0.000 1.331 336 G CA -0.135 44.977 45.100 0.018 0.000 0.891 336 G HN 0.069 nan 8.290 nan 0.000 0.539 337 K N 0.360 120.759 120.400 -0.003 0.000 2.334 337 K HA 0.129 4.448 4.320 -0.001 0.000 0.195 337 K C 1.781 178.372 176.600 -0.015 0.000 1.045 337 K CA 0.965 57.240 56.287 -0.018 0.000 1.004 337 K CB -0.008 32.474 32.500 -0.030 0.000 0.837 337 K HN 0.461 nan 8.250 nan 0.000 0.510 338 N N 1.323 120.021 118.700 -0.004 0.000 2.333 338 N HA -0.056 4.684 4.740 -0.001 0.000 0.183 338 N C 0.748 176.262 175.510 0.007 0.000 1.030 338 N CA 0.120 53.169 53.050 -0.001 0.000 0.867 338 N CB 0.174 38.662 38.487 0.002 0.000 1.027 338 N HN 0.069 nan 8.380 nan 0.000 0.435 339 R N 3.161 123.670 120.500 0.015 0.000 2.401 339 R HA 0.006 4.345 4.340 -0.001 0.000 0.299 339 R C 0.200 176.518 176.300 0.031 0.000 1.064 339 R CA -0.205 55.909 56.100 0.024 0.000 1.000 339 R CB 0.467 30.784 30.300 0.029 0.000 0.973 339 R HN 0.251 nan 8.270 nan 0.000 0.438 340 Q N 4.693 124.513 119.800 0.033 0.000 2.361 340 Q HA 0.201 4.540 4.340 -0.001 0.000 0.276 340 Q C -2.220 173.819 176.000 0.065 0.000 1.022 340 Q CA -1.813 54.016 55.803 0.044 0.000 0.898 340 Q CB 0.254 29.015 28.738 0.038 0.000 1.246 340 Q HN 0.359 nan 8.270 nan 0.000 0.410 341 P HA -0.021 nan 4.420 nan 0.000 0.265 341 P C -1.155 176.247 177.300 0.170 0.000 1.193 341 P CA 0.282 63.456 63.100 0.124 0.000 0.765 341 P CB 0.448 32.188 31.700 0.068 0.000 0.823 342 K N 1.929 122.459 120.400 0.216 0.000 2.281 342 K HA 0.357 4.676 4.320 -0.001 0.000 0.242 342 K C 0.358 177.146 176.600 0.313 0.000 0.971 342 K CA -0.651 55.766 56.287 0.216 0.000 0.834 342 K CB 0.841 33.420 32.500 0.130 0.000 1.181 342 K HN 0.139 nan 8.250 nan 0.000 0.435 343 F N 2.210 122.218 119.950 0.097 0.000 2.250 343 F HA -0.135 4.391 4.527 -0.001 0.000 0.301 343 F C 1.426 177.094 175.800 -0.220 0.000 1.077 343 F CA 1.680 59.659 58.000 -0.036 0.000 1.348 343 F CB -0.025 38.945 39.000 -0.051 0.000 1.040 343 F HN 0.671 nan 8.300 nan 0.000 0.509 344 E N -0.432 119.687 120.200 -0.135 0.000 2.267 344 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 344 E C 1.527 177.977 176.600 -0.250 0.000 0.998 344 E CA 1.183 57.456 56.400 -0.210 0.000 0.830 344 E CB -0.327 29.334 29.700 -0.065 0.000 0.751 344 E HN 0.443 nan 8.360 nan 0.000 0.491 345 D N 0.763 121.075 120.400 -0.147 0.000 2.309 345 D HA -0.142 4.497 4.640 -0.001 0.000 0.212 345 D C 1.901 178.128 176.300 -0.121 0.000 0.968 345 D CA 0.779 54.773 54.000 -0.008 0.000 0.882 345 D CB -0.160 40.791 40.800 0.252 0.000 0.918 345 D HN 0.375 nan 8.370 nan 0.000 0.503 346 R N 0.862 120.963 120.500 -0.664 0.000 2.152 346 R HA 0.038 4.377 4.340 -0.001 0.000 0.232 346 R C 2.049 178.129 176.300 -0.365 0.000 1.117 346 R CA 1.311 56.978 56.100 -0.721 0.000 0.981 346 R CB -0.425 29.060 30.300 -1.359 0.000 0.870 346 R HN 0.016 nan 8.270 nan 0.000 0.451 347 A N 1.579 124.207 122.820 -0.319 0.000 2.015 347 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 347 A C 1.644 179.172 177.584 -0.093 0.000 1.163 347 A CA 1.200 53.122 52.037 -0.192 0.000 0.646 347 A CB -0.100 18.800 19.000 -0.167 0.000 0.806 347 A HN 0.356 nan 8.150 nan 0.000 0.448 348 K N -1.340 119.022 120.400 -0.063 0.000 2.358 348 K HA 0.332 4.651 4.320 -0.001 0.000 0.197 348 K C -0.224 176.394 176.600 0.030 0.000 1.025 348 K CA 0.060 56.343 56.287 -0.007 0.000 1.104 348 K CB 0.400 32.903 32.500 0.004 0.000 0.855 348 K HN 0.412 nan 8.250 nan 0.000 0.531 349 M N 1.970 121.588 119.600 0.031 0.000 2.808 349 M HA 0.168 4.647 4.480 -0.001 0.000 0.225 349 M C -2.049 174.292 176.300 0.068 0.000 1.103 349 M CA -1.697 53.660 55.300 0.095 0.000 0.982 349 M CB 1.124 33.837 32.600 0.189 0.000 1.314 349 M HN -0.174 nan 8.290 nan 0.000 0.505 350 P HA -0.184 nan 4.420 nan 0.000 0.219 350 P C 1.121 178.507 177.300 0.143 0.000 1.150 350 P CA 1.382 64.541 63.100 0.099 0.000 0.814 350 P CB 0.103 31.893 31.700 0.151 0.000 0.787 351 Y N 0.365 120.703 120.300 0.064 0.000 2.220 351 Y HA -0.099 4.450 4.550 -0.001 0.000 0.291 351 Y C 2.637 178.565 175.900 0.047 0.000 1.129 351 Y CA 1.466 59.602 58.100 0.059 0.000 1.161 351 Y CB -0.688 37.795 38.460 0.038 0.000 0.997 351 Y HN -0.226 nan 8.280 nan 0.000 0.522 352 M N 0.704 120.378 119.600 0.124 0.000 2.086 352 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 352 M C 2.055 178.348 176.300 -0.012 0.000 1.067 352 M CA 2.158 57.491 55.300 0.056 0.000 1.116 352 M CB -0.634 32.056 32.600 0.150 0.000 1.348 352 M HN 0.314 nan 8.290 nan 0.000 0.407 353 E N -0.427 119.763 120.200 -0.016 0.000 2.085 353 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 353 E C 1.856 178.386 176.600 -0.116 0.000 0.994 353 E CA 1.830 58.140 56.400 -0.149 0.000 0.801 353 E CB -0.299 29.099 29.700 -0.504 0.000 0.743 353 E HN 0.610 nan 8.360 nan 0.000 0.453 354 A N 0.028 122.807 122.820 -0.067 0.000 1.902 354 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 354 A C 2.437 179.932 177.584 -0.149 0.000 1.181 354 A CA 1.563 53.614 52.037 0.024 0.000 0.623 354 A CB -0.709 18.283 19.000 -0.014 0.000 0.818 354 A HN 0.223 nan 8.150 nan 0.000 0.443 355 V N 0.292 120.015 119.914 -0.319 0.000 2.295 355 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 355 V C 2.436 178.412 176.094 -0.197 0.000 1.049 355 V CA 2.121 64.247 62.300 -0.290 0.000 1.024 355 V CB -0.691 30.948 31.823 -0.307 0.000 0.648 355 V HN 0.579 nan 8.190 nan 0.000 0.447 356 I N -0.670 119.781 120.570 -0.198 0.000 2.202 356 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 356 I C 2.488 178.537 176.117 -0.114 0.000 1.091 356 I CA 1.732 62.932 61.300 -0.168 0.000 1.368 356 I CB -0.618 37.375 38.000 -0.011 0.000 1.058 356 I HN 0.347 nan 8.210 nan 0.000 0.410 357 H N 0.189 119.087 119.070 -0.287 0.000 2.353 357 H HA -0.234 4.321 4.556 -0.001 0.000 0.298 357 H C 2.136 177.255 175.328 -0.349 0.000 1.103 357 H CA 1.873 57.565 56.048 -0.593 0.000 1.293 357 H CB -0.058 28.808 29.762 -1.494 0.000 1.372 357 H HN 0.256 nan 8.280 nan 0.000 0.501 358 E N 0.468 120.622 120.200 -0.076 0.000 2.208 358 E HA -0.057 4.292 4.350 -0.001 0.000 0.193 358 E C 1.947 178.692 176.600 0.242 0.000 0.988 358 E CA 0.590 57.102 56.400 0.186 0.000 0.828 358 E CB -0.245 29.451 29.700 -0.007 0.000 0.763 358 E HN 0.492 nan 8.360 nan 0.000 0.478 359 I N 0.523 121.199 120.570 0.177 0.000 2.252 359 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 359 I C 2.429 178.612 176.117 0.111 0.000 1.102 359 I CA 1.220 62.608 61.300 0.147 0.000 1.385 359 I CB -0.227 37.761 38.000 -0.021 0.000 1.064 359 I HN 0.197 nan 8.210 nan 0.000 0.414 360 Q N 0.075 119.940 119.800 0.109 0.000 2.050 360 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 360 Q C 2.366 178.373 176.000 0.012 0.000 0.980 360 Q CA 1.297 57.128 55.803 0.047 0.000 0.840 360 Q CB -0.305 28.470 28.738 0.062 0.000 0.898 360 Q HN 0.431 nan 8.270 nan 0.000 0.424 361 R N 0.259 120.851 120.500 0.152 0.000 2.082 361 R HA -0.176 4.163 4.340 -0.001 0.000 0.234 361 R C 2.139 178.416 176.300 -0.038 0.000 1.136 361 R CA 1.564 57.709 56.100 0.074 0.000 0.935 361 R CB -0.393 30.024 30.300 0.196 0.000 0.842 361 R HN 0.234 nan 8.270 nan 0.000 0.430 362 F N 0.482 120.382 119.950 -0.083 0.000 2.146 362 F HA -0.008 4.518 4.527 -0.001 0.000 0.298 362 F C 2.036 177.679 175.800 -0.262 0.000 1.096 362 F CA 1.806 59.730 58.000 -0.127 0.000 1.275 362 F CB -0.441 38.571 39.000 0.020 0.000 1.008 362 F HN 0.149 nan 8.300 nan 0.000 0.480 363 G N -0.742 108.004 108.800 -0.090 0.000 2.421 363 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 363 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 363 G C 0.223 175.029 174.900 -0.158 0.000 1.143 363 G CA 0.719 45.654 45.100 -0.275 0.000 0.784 363 G HN 0.460 nan 8.290 nan 0.000 0.541 364 D N -0.599 119.693 120.400 -0.181 0.000 2.755 364 D HA -0.161 4.478 4.640 -0.001 0.000 0.227 364 D C 1.339 177.533 176.300 -0.176 0.000 1.211 364 D CA 0.537 54.406 54.000 -0.218 0.000 0.663 364 D CB -1.031 39.590 40.800 -0.298 0.000 0.983 364 D HN 0.125 nan 8.370 nan 0.000 0.407 365 V N 0.641 120.482 119.914 -0.122 0.000 2.594 365 V HA -0.136 3.984 4.120 -0.001 0.000 0.253 365 V C 1.485 177.498 176.094 -0.135 0.000 1.069 365 V CA 1.126 63.401 62.300 -0.042 0.000 1.082 365 V CB -0.248 31.590 31.823 0.025 0.000 0.680 365 V HN 0.540 nan 8.190 nan 0.000 0.469 366 I N 1.512 121.941 120.570 -0.234 0.000 2.668 366 I HA 0.250 4.419 4.170 -0.001 0.000 0.276 366 I C -1.745 174.186 176.117 -0.309 0.000 1.139 366 I CA -1.962 59.116 61.300 -0.370 0.000 1.133 366 I CB 0.943 38.728 38.000 -0.359 0.000 1.327 366 I HN 0.163 nan 8.210 nan 0.000 0.520 367 P HA 0.007 nan 4.420 nan 0.000 0.225 367 P C 0.944 178.196 177.300 -0.081 0.000 1.156 367 P CA 1.151 64.122 63.100 -0.215 0.000 0.787 367 P CB 0.491 32.032 31.700 -0.265 0.000 0.802 368 M N -0.987 118.532 119.600 -0.134 0.000 2.589 368 M HA 0.340 4.819 4.480 -0.001 0.000 0.344 368 M C 0.727 176.887 176.300 -0.234 0.000 1.168 368 M CA -0.073 55.142 55.300 -0.141 0.000 0.956 368 M CB 0.657 33.130 32.600 -0.213 0.000 1.370 368 M HN -0.105 nan 8.290 nan 0.000 0.518 369 G N 1.950 110.631 108.800 -0.198 0.000 2.749 369 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.242 369 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.242 369 G C -0.966 173.874 174.900 -0.100 0.000 1.364 369 G CA -0.867 44.139 45.100 -0.157 0.000 0.888 369 G HN 0.285 nan 8.290 nan 0.000 0.566 370 L N 0.959 122.179 121.223 -0.005 0.000 2.312 370 L HA 0.659 4.998 4.340 -0.001 0.000 0.281 370 L C 1.344 178.239 176.870 0.043 0.000 1.070 370 L CA 0.680 55.589 54.840 0.115 0.000 0.805 370 L CB 1.178 43.275 42.059 0.063 0.000 1.174 370 L HN 1.346 nan 8.230 nan 0.000 0.434 371 A N 5.189 128.056 122.820 0.077 0.000 2.531 371 A HA 0.348 4.667 4.320 -0.001 0.000 0.236 371 A C 0.340 177.987 177.584 0.104 0.000 1.062 371 A CA -0.137 51.963 52.037 0.105 0.000 0.760 371 A CB 0.030 19.169 19.000 0.232 0.000 0.995 371 A HN 0.662 nan 8.150 nan 0.000 0.501 372 R N 0.640 121.200 120.500 0.099 0.000 2.602 372 R HA 0.680 5.019 4.340 -0.001 0.000 0.237 372 R C -0.130 176.209 176.300 0.065 0.000 1.219 372 R CA -0.628 55.521 56.100 0.082 0.000 1.121 372 R CB 0.726 31.086 30.300 0.101 0.000 1.408 372 R HN 0.827 nan 8.270 nan 0.000 0.559 373 R N 0.251 120.766 120.500 0.025 0.000 2.535 373 R HA 0.181 4.521 4.340 -0.001 0.000 0.274 373 R C -0.988 175.240 176.300 -0.120 0.000 1.090 373 R CA -0.560 55.517 56.100 -0.039 0.000 0.930 373 R CB 1.706 31.993 30.300 -0.023 0.000 1.223 373 R HN 0.496 nan 8.270 nan 0.000 0.441 374 V N 2.401 122.175 119.914 -0.234 0.000 2.479 374 V HA 0.195 4.314 4.120 -0.001 0.000 0.281 374 V C 1.042 177.000 176.094 -0.228 0.000 1.031 374 V CA -0.205 61.872 62.300 -0.371 0.000 1.038 374 V CB 1.401 32.892 31.823 -0.554 0.000 0.981 374 V HN 0.855 nan 8.190 nan 0.000 0.478 375 K N 4.077 124.363 120.400 -0.189 0.000 2.057 375 K HA 0.033 4.352 4.320 -0.001 0.000 0.207 375 K C 0.934 177.476 176.600 -0.097 0.000 1.049 375 K CA 1.658 57.880 56.287 -0.110 0.000 0.931 375 K CB 0.052 32.505 32.500 -0.078 0.000 0.714 375 K HN 0.885 nan 8.250 nan 0.000 0.440 376 K N -0.626 119.703 120.400 -0.119 0.000 2.197 376 K HA 0.208 4.527 4.320 -0.001 0.000 0.247 376 K C -1.255 175.266 176.600 -0.131 0.000 1.077 376 K CA -0.988 55.248 56.287 -0.085 0.000 0.882 376 K CB 0.865 33.341 32.500 -0.040 0.000 1.396 376 K HN -0.230 nan 8.250 nan 0.000 0.482 377 D N 1.809 122.169 120.400 -0.067 0.000 2.434 377 D HA 0.078 4.717 4.640 -0.001 0.000 0.252 377 D C -0.915 175.330 176.300 -0.092 0.000 1.185 377 D CA 0.852 54.798 54.000 -0.089 0.000 0.886 377 D CB 0.506 41.436 40.800 0.217 0.000 1.148 377 D HN 0.240 nan 8.370 nan 0.000 0.483 378 T N 3.454 117.837 114.554 -0.285 0.000 2.809 378 T HA 0.272 4.622 4.350 -0.001 0.000 0.284 378 T C 0.122 174.821 174.700 -0.002 0.000 0.992 378 T CA -0.869 61.143 62.100 -0.147 0.000 0.957 378 T CB 1.157 69.847 68.868 -0.297 0.000 0.942 378 T HN 0.060 nan 8.240 nan 0.000 0.439 379 K N 2.716 123.214 120.400 0.163 0.000 2.285 379 K HA 0.418 4.737 4.320 -0.001 0.000 0.286 379 K C -1.048 175.734 176.600 0.304 0.000 1.072 379 K CA -0.421 56.009 56.287 0.238 0.000 0.913 379 K CB 0.620 33.236 32.500 0.193 0.000 1.067 379 K HN 0.444 nan 8.250 nan 0.000 0.479 380 F N 3.841 123.898 119.950 0.179 0.000 2.507 380 F HA 0.314 4.840 4.527 -0.001 0.000 0.328 380 F C 0.573 176.487 175.800 0.190 0.000 1.136 380 F CA -0.451 57.687 58.000 0.230 0.000 0.930 380 F CB 0.619 39.841 39.000 0.370 0.000 1.166 380 F HN 0.648 nan 8.300 nan 0.000 0.436 381 R N 1.998 122.140 120.500 -0.596 0.000 3.793 381 R HA -0.289 4.050 4.340 -0.001 0.000 0.464 381 R C -0.150 175.915 176.300 -0.392 0.000 0.241 381 R CA 1.898 57.685 56.100 -0.523 0.000 1.464 381 R CB -1.039 28.899 30.300 -0.602 0.000 0.954 381 R HN 0.627 nan 8.270 nan 0.000 0.583 382 D N 0.688 120.660 120.400 -0.714 0.000 2.358 382 D HA 0.249 4.888 4.640 -0.001 0.000 0.224 382 D C -0.367 175.643 176.300 -0.484 0.000 1.123 382 D CA 0.467 54.109 54.000 -0.596 0.000 0.833 382 D CB -0.033 40.407 40.800 -0.600 0.000 0.946 382 D HN 0.037 nan 8.370 nan 0.000 0.505 383 F N -0.134 119.880 119.950 0.107 0.000 2.523 383 F HA 0.434 4.960 4.527 -0.001 0.000 0.329 383 F C -0.073 175.870 175.800 0.238 0.000 1.061 383 F CA -1.548 56.555 58.000 0.172 0.000 0.967 383 F CB 1.481 40.590 39.000 0.182 0.000 1.218 383 F HN -0.280 nan 8.300 nan 0.000 0.480 384 F N 2.889 123.010 119.950 0.285 0.000 2.426 384 F HA 0.641 5.167 4.527 -0.002 0.000 0.348 384 F C -1.604 174.274 175.800 0.130 0.000 1.124 384 F CA -0.968 57.132 58.000 0.167 0.000 1.008 384 F CB 0.877 39.940 39.000 0.106 0.000 1.139 384 F HN 0.206 nan 8.300 nan 0.000 0.452 385 L N 9.189 130.062 121.223 -0.583 0.000 2.283 385 L HA 0.475 4.814 4.340 -0.001 0.000 0.281 385 L C -2.115 174.186 176.870 -0.949 0.000 1.033 385 L CA -2.090 52.414 54.840 -0.560 0.000 0.848 385 L CB 0.829 42.701 42.059 -0.313 0.000 1.226 385 L HN 0.440 nan 8.230 nan 0.000 0.429 386 P HA -0.069 nan 4.420 nan 0.000 0.267 386 P C -0.429 176.684 177.300 -0.312 0.000 1.200 386 P CA -0.319 62.480 63.100 -0.502 0.000 0.772 386 P CB 0.476 32.109 31.700 -0.111 0.000 0.855 387 K N 1.929 122.212 120.400 -0.196 0.000 2.466 387 K HA 0.087 4.406 4.320 -0.001 0.000 0.278 387 K C 1.027 177.559 176.600 -0.113 0.000 1.048 387 K CA 1.067 57.270 56.287 -0.140 0.000 1.088 387 K CB -0.975 31.485 32.500 -0.067 0.000 0.884 387 K HN 0.819 nan 8.250 nan 0.000 0.478 388 G N 2.780 111.504 108.800 -0.126 0.000 2.176 388 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.232 388 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.232 388 G C 0.020 174.857 174.900 -0.105 0.000 0.986 388 G CA 0.149 45.194 45.100 -0.093 0.000 0.643 388 G HN 0.660 nan 8.290 nan 0.000 0.522 389 T N 2.225 116.689 114.554 -0.150 0.000 2.765 389 T HA 0.327 4.676 4.350 -0.001 0.000 0.284 389 T C 0.551 175.171 174.700 -0.133 0.000 0.946 389 T CA 0.327 62.332 62.100 -0.158 0.000 1.185 389 T CB 0.765 69.511 68.868 -0.204 0.000 0.887 389 T HN 0.419 nan 8.240 nan 0.000 0.532 390 E N 2.113 122.253 120.200 -0.099 0.000 2.452 390 E HA 0.186 4.535 4.350 -0.001 0.000 0.261 390 E C -0.504 176.063 176.600 -0.055 0.000 0.987 390 E CA -0.000 56.369 56.400 -0.050 0.000 0.926 390 E CB 0.612 30.287 29.700 -0.042 0.000 0.934 390 E HN 0.298 nan 8.360 nan 0.000 0.452 391 V N 4.484 124.421 119.914 0.039 0.000 2.638 391 V HA 0.178 4.297 4.120 -0.001 0.000 0.306 391 V C -0.993 175.222 176.094 0.202 0.000 1.052 391 V CA -0.696 61.642 62.300 0.063 0.000 0.885 391 V CB 1.332 33.230 31.823 0.125 0.000 0.999 391 V HN 0.625 nan 8.190 nan 0.000 0.424 392 Y N 5.252 125.488 120.300 -0.106 0.000 2.518 392 Y HA 0.319 4.868 4.550 -0.001 0.000 0.344 392 Y C -2.072 173.766 175.900 -0.103 0.000 0.982 392 Y CA -2.583 55.464 58.100 -0.087 0.000 1.234 392 Y CB 1.863 40.258 38.460 -0.109 0.000 1.114 392 Y HN 0.466 nan 8.280 nan 0.000 0.515 393 P HA 0.041 nan 4.420 nan 0.000 0.274 393 P C -0.385 176.890 177.300 -0.042 0.000 1.291 393 P CA -0.031 63.038 63.100 -0.053 0.000 0.815 393 P CB 0.453 32.106 31.700 -0.078 0.000 0.897 394 M N 4.358 123.953 119.600 -0.008 0.000 3.237 394 M HA 0.082 4.562 4.480 -0.001 0.000 0.266 394 M C 1.234 177.566 176.300 0.052 0.000 1.456 394 M CA 0.010 55.337 55.300 0.046 0.000 1.593 394 M CB -0.797 31.842 32.600 0.065 0.000 1.129 394 M HN 0.322 nan 8.290 nan 0.000 0.547 395 L N 0.830 122.046 121.223 -0.013 0.000 2.021 395 L HA -0.205 4.134 4.340 -0.001 0.000 0.215 395 L C 2.428 179.278 176.870 -0.032 0.000 1.074 395 L CA 1.744 56.553 54.840 -0.053 0.000 0.760 395 L CB -1.117 40.869 42.059 -0.122 0.000 0.889 395 L HN 0.708 nan 8.230 nan 0.000 0.433 396 G N -0.298 108.491 108.800 -0.017 0.000 2.462 396 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.220 396 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.220 396 G C 1.771 176.744 174.900 0.123 0.000 1.121 396 G CA 1.095 46.155 45.100 -0.066 0.000 0.758 396 G HN 0.544 nan 8.290 nan 0.000 0.559 397 S N -0.206 115.663 115.700 0.281 0.000 2.453 397 S HA 0.016 4.485 4.470 -0.001 0.000 0.231 397 S C 2.189 176.869 174.600 0.134 0.000 1.005 397 S CA 1.151 59.488 58.200 0.228 0.000 0.949 397 S CB -0.033 63.254 63.200 0.146 0.000 0.774 397 S HN 0.112 nan 8.310 nan 0.000 0.510 398 V N 1.985 121.950 119.914 0.085 0.000 2.379 398 V HA 0.059 4.178 4.120 -0.001 0.000 0.243 398 V C 2.481 178.653 176.094 0.131 0.000 1.035 398 V CA 1.306 63.643 62.300 0.060 0.000 1.035 398 V CB -0.845 30.983 31.823 0.007 0.000 0.673 398 V HN 0.438 nan 8.190 nan 0.000 0.457 399 L N -0.339 120.929 121.223 0.074 0.000 2.265 399 L HA -0.101 4.238 4.340 -0.001 0.000 0.215 399 L C 2.170 179.013 176.870 -0.044 0.000 1.117 399 L CA 1.424 56.281 54.840 0.029 0.000 0.782 399 L CB -0.371 41.616 42.059 -0.120 0.000 0.914 399 L HN 0.252 nan 8.230 nan 0.000 0.441 400 R N -0.924 119.609 120.500 0.054 0.000 2.546 400 R HA 0.083 4.422 4.340 -0.001 0.000 0.320 400 R C -0.056 176.365 176.300 0.201 0.000 1.021 400 R CA -0.275 55.865 56.100 0.066 0.000 1.088 400 R CB 0.227 30.539 30.300 0.021 0.000 1.278 400 R HN 0.062 nan 8.270 nan 0.000 0.557 401 D N 2.258 122.831 120.400 0.288 0.000 2.382 401 D HA 0.005 4.644 4.640 -0.001 0.000 0.259 401 D C -1.373 175.098 176.300 0.285 0.000 1.224 401 D CA -1.735 52.421 54.000 0.261 0.000 0.894 401 D CB 1.428 42.363 40.800 0.225 0.000 1.127 401 D HN 0.026 nan 8.370 nan 0.000 0.487 402 P HA -0.069 nan 4.420 nan 0.000 0.225 402 P C 0.819 178.170 177.300 0.085 0.000 1.148 402 P CA 0.486 63.673 63.100 0.144 0.000 0.779 402 P CB 0.349 32.112 31.700 0.104 0.000 0.780 403 S N -1.680 114.083 115.700 0.105 0.000 2.562 403 S HA 0.133 4.602 4.470 -0.001 0.000 0.221 403 S C 0.966 175.351 174.600 -0.358 0.000 0.975 403 S CA 0.450 58.604 58.200 -0.076 0.000 0.918 403 S CB -0.553 62.617 63.200 -0.049 0.000 0.772 403 S HN 0.133 nan 8.310 nan 0.000 0.531 404 F N -0.475 119.302 119.950 -0.289 0.000 2.740 404 F HA 0.458 4.984 4.527 -0.001 0.000 0.304 404 F C -0.104 175.145 175.800 -0.918 0.000 1.098 404 F CA -0.488 57.123 58.000 -0.649 0.000 1.258 404 F CB 0.617 39.105 39.000 -0.853 0.000 1.061 404 F HN 0.005 nan 8.300 nan 0.000 0.598 405 F N -0.465 119.505 119.950 0.034 0.000 2.557 405 F HA 0.256 4.782 4.527 -0.001 0.000 0.316 405 F C 1.234 177.058 175.800 0.041 0.000 1.141 405 F CA -0.896 57.065 58.000 -0.064 0.000 0.922 405 F CB 1.587 40.363 39.000 -0.373 0.000 1.194 405 F HN -0.226 nan 8.300 nan 0.000 0.443 406 S N 1.547 117.438 115.700 0.318 0.000 2.359 406 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 406 S C 0.281 175.004 174.600 0.205 0.000 1.035 406 S CA 1.094 59.411 58.200 0.195 0.000 1.018 406 S CB -0.454 62.811 63.200 0.109 0.000 0.876 406 S HN 0.694 nan 8.310 nan 0.000 0.448 407 N N 1.685 120.585 118.700 0.333 0.000 2.664 407 N HA 0.351 5.090 4.740 -0.001 0.000 0.257 407 N C -2.609 173.055 175.510 0.257 0.000 1.108 407 N CA -1.372 51.816 53.050 0.230 0.000 0.822 407 N CB 2.149 40.731 38.487 0.159 0.000 1.199 407 N HN 0.161 nan 8.380 nan 0.000 0.529 408 P HA -0.122 nan 4.420 nan 0.000 0.229 408 P C 0.464 177.772 177.300 0.014 0.000 1.160 408 P CA 0.989 64.091 63.100 0.004 0.000 0.777 408 P CB 0.475 32.206 31.700 0.050 0.000 0.814 409 Q N -0.311 119.538 119.800 0.082 0.000 2.435 409 Q HA 0.044 4.383 4.340 -0.001 0.000 0.207 409 Q C 0.076 176.239 176.000 0.270 0.000 0.956 409 Q CA 0.751 56.609 55.803 0.092 0.000 0.917 409 Q CB -0.304 28.486 28.738 0.087 0.000 0.997 409 Q HN 0.357 nan 8.270 nan 0.000 0.497 410 D N 0.384 120.962 120.400 0.297 0.000 2.193 410 D HA 0.171 4.810 4.640 -0.001 0.000 0.249 410 D C -0.914 175.614 176.300 0.381 0.000 1.034 410 D CA -0.587 53.607 54.000 0.324 0.000 0.902 410 D CB 0.743 41.656 40.800 0.187 0.000 1.182 410 D HN -0.065 nan 8.370 nan 0.000 0.436 411 F N 2.801 122.749 119.950 -0.003 0.000 2.434 411 F HA 0.270 4.796 4.527 -0.001 0.000 0.358 411 F C -0.191 175.418 175.800 -0.319 0.000 1.136 411 F CA -0.413 57.392 58.000 -0.326 0.000 1.157 411 F CB 0.027 38.497 39.000 -0.883 0.000 1.167 411 F HN 0.090 nan 8.300 nan 0.000 0.539 412 N N 7.696 125.985 118.700 -0.685 0.000 2.664 412 N HA 0.364 5.103 4.740 -0.001 0.000 0.268 412 N C -2.535 172.657 175.510 -0.531 0.000 1.222 412 N CA -1.846 50.851 53.050 -0.589 0.000 0.805 412 N CB 1.666 39.872 38.487 -0.468 0.000 1.399 412 N HN 0.106 nan 8.380 nan 0.000 0.547 413 P HA -0.132 nan 4.420 nan 0.000 0.223 413 P C 1.002 178.208 177.300 -0.157 0.000 1.144 413 P CA 0.895 63.787 63.100 -0.346 0.000 0.783 413 P CB 0.355 31.746 31.700 -0.516 0.000 0.771 414 Q N -1.042 118.639 119.800 -0.197 0.000 2.248 414 Q HA -0.213 4.126 4.340 -0.001 0.000 0.208 414 Q C 1.772 177.673 176.000 -0.165 0.000 0.984 414 Q CA 1.524 57.236 55.803 -0.152 0.000 0.875 414 Q CB -1.373 27.260 28.738 -0.175 0.000 0.910 414 Q HN 0.568 nan 8.270 nan 0.000 0.433 415 H N -1.631 117.349 119.070 -0.149 0.000 2.518 415 H HA -0.130 4.425 4.556 -0.001 0.000 0.294 415 H C 0.279 175.258 175.328 -0.582 0.000 1.083 415 H CA 0.822 56.695 56.048 -0.292 0.000 1.264 415 H CB -0.018 29.531 29.762 -0.356 0.000 1.370 415 H HN 0.157 nan 8.280 nan 0.000 0.560 416 F N -0.233 119.721 119.950 0.007 0.000 2.835 416 F HA 0.267 4.793 4.527 -0.001 0.000 0.342 416 F C -0.740 174.899 175.800 -0.268 0.000 1.202 416 F CA -0.365 57.517 58.000 -0.196 0.000 1.240 416 F CB 0.943 39.878 39.000 -0.107 0.000 1.005 416 F HN -0.082 nan 8.300 nan 0.000 0.507 417 L N 0.452 121.635 121.223 -0.066 0.000 2.438 417 L HA 0.335 4.674 4.340 -0.001 0.000 0.270 417 L C 0.045 176.876 176.870 -0.065 0.000 0.972 417 L CA -1.275 53.546 54.840 -0.032 0.000 0.831 417 L CB 1.446 43.529 42.059 0.042 0.000 1.273 417 L HN 0.068 nan 8.230 nan 0.000 0.405 418 N N 1.782 120.448 118.700 -0.058 0.000 2.273 418 N HA -0.039 4.700 4.740 -0.001 0.000 0.227 418 N C 0.642 176.135 175.510 -0.027 0.000 1.292 418 N CA -0.192 52.830 53.050 -0.047 0.000 0.875 418 N CB 0.887 39.356 38.487 -0.029 0.000 1.105 418 N HN 0.528 nan 8.380 nan 0.000 0.434 419 E N 1.615 121.796 120.200 -0.031 0.000 2.118 419 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 419 E C 0.992 177.586 176.600 -0.010 0.000 0.992 419 E CA 1.395 57.781 56.400 -0.023 0.000 0.804 419 E CB -0.194 29.490 29.700 -0.027 0.000 0.741 419 E HN 0.524 nan 8.360 nan 0.000 0.458 420 K N -0.062 120.333 120.400 -0.007 0.000 2.442 420 K HA -0.031 4.288 4.320 -0.001 0.000 0.198 420 K C 1.134 177.745 176.600 0.018 0.000 1.044 420 K CA 0.637 56.925 56.287 0.003 0.000 0.948 420 K CB -0.139 32.362 32.500 0.002 0.000 0.762 420 K HN 0.319 nan 8.250 nan 0.000 0.472 421 G N 2.172 110.988 108.800 0.027 0.000 2.153 421 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.252 421 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.252 421 G C -0.223 174.729 174.900 0.086 0.000 0.994 421 G CA 0.619 45.757 45.100 0.063 0.000 0.698 421 G HN 0.518 nan 8.290 nan 0.000 0.521 422 Q N -0.920 118.918 119.800 0.063 0.000 2.221 422 Q HA 0.721 5.060 4.340 -0.001 0.000 0.242 422 Q C 0.270 176.332 176.000 0.104 0.000 0.940 422 Q CA -1.131 54.724 55.803 0.087 0.000 0.896 422 Q CB 1.331 30.104 28.738 0.058 0.000 1.226 422 Q HN 0.409 nan 8.270 nan 0.000 0.463 423 F N 1.072 121.014 119.950 -0.013 0.000 2.506 423 F HA 0.220 4.747 4.527 -0.001 0.000 0.351 423 F C -0.191 175.590 175.800 -0.032 0.000 1.136 423 F CA 0.218 58.198 58.000 -0.034 0.000 1.298 423 F CB 0.737 39.690 39.000 -0.078 0.000 1.145 423 F HN 0.508 nan 8.300 nan 0.000 0.593 424 K N 6.214 125.984 120.400 -1.049 0.000 2.507 424 K HA 0.280 4.599 4.320 -0.001 0.000 0.252 424 K C -0.985 175.047 176.600 -0.946 0.000 0.943 424 K CA -0.788 55.068 56.287 -0.718 0.000 0.808 424 K CB 1.159 33.432 32.500 -0.379 0.000 1.142 424 K HN 0.645 nan 8.250 nan 0.000 0.426 425 K N 1.135 121.216 120.400 -0.531 0.000 2.219 425 K HA 0.145 4.464 4.320 -0.001 0.000 0.258 425 K C -0.315 176.261 176.600 -0.040 0.000 1.008 425 K CA -0.123 56.041 56.287 -0.205 0.000 0.928 425 K CB 1.317 33.820 32.500 0.005 0.000 0.983 425 K HN 0.366 nan 8.250 nan 0.000 0.484 426 S N 0.484 116.282 115.700 0.165 0.000 2.557 426 S HA 0.115 4.584 4.470 -0.001 0.000 0.291 426 S C -0.017 174.722 174.600 0.231 0.000 1.116 426 S CA -0.765 57.540 58.200 0.174 0.000 0.992 426 S CB 1.178 64.477 63.200 0.164 0.000 1.028 426 S HN 0.502 nan 8.310 nan 0.000 0.484 427 D N 3.255 123.729 120.400 0.124 0.000 2.182 427 D HA -0.042 4.597 4.640 -0.001 0.000 0.201 427 D C 1.687 177.958 176.300 -0.048 0.000 0.986 427 D CA 1.336 55.376 54.000 0.066 0.000 0.847 427 D CB -0.019 40.795 40.800 0.023 0.000 0.942 427 D HN 0.607 nan 8.370 nan 0.000 0.467 428 A N -0.176 122.466 122.820 -0.297 0.000 2.238 428 A HA 0.006 4.325 4.320 -0.001 0.000 0.208 428 A C 0.581 178.332 177.584 0.279 0.000 1.177 428 A CA -0.394 51.510 52.037 -0.222 0.000 0.804 428 A CB -0.623 17.940 19.000 -0.728 0.000 0.823 428 A HN 0.121 nan 8.150 nan 0.000 0.482 429 F N 1.566 121.692 119.950 0.293 0.000 2.509 429 F HA 0.371 4.897 4.527 -0.001 0.000 0.350 429 F C 0.677 176.609 175.800 0.219 0.000 1.220 429 F CA -0.430 57.791 58.000 0.368 0.000 1.151 429 F CB 0.916 40.231 39.000 0.525 0.000 1.379 429 F HN 0.028 nan 8.300 nan 0.000 0.610 430 V N 5.122 124.903 119.914 -0.221 0.000 2.838 430 V HA 0.341 4.460 4.120 -0.001 0.000 0.363 430 V C -1.996 173.893 176.094 -0.342 0.000 1.324 430 V CA -0.730 61.453 62.300 -0.193 0.000 1.220 430 V CB 0.039 31.831 31.823 -0.052 0.000 1.328 430 V HN 0.481 nan 8.190 nan 0.000 0.595 431 P HA -0.006 nan 4.420 nan 0.000 0.223 431 P C 0.924 177.855 177.300 -0.615 0.000 1.151 431 P CA 1.144 63.835 63.100 -0.681 0.000 0.787 431 P CB 0.031 31.155 31.700 -0.959 0.000 0.788 432 F N -0.532 119.305 119.950 -0.188 0.000 2.693 432 F HA 0.271 4.797 4.527 -0.002 0.000 0.303 432 F C 1.559 177.303 175.800 -0.094 0.000 1.097 432 F CA 0.071 58.002 58.000 -0.114 0.000 1.330 432 F CB -0.634 38.326 39.000 -0.067 0.000 1.067 432 F HN -0.090 nan 8.300 nan 0.000 0.565 433 S N 0.393 116.093 115.700 0.001 0.000 3.569 433 S HA -0.201 4.268 4.470 -0.001 0.000 0.635 433 S C -0.488 174.138 174.600 0.043 0.000 2.396 433 S CA 0.580 58.775 58.200 -0.007 0.000 2.612 433 S CB -0.962 62.226 63.200 -0.021 0.000 0.331 433 S HN 0.524 nan 8.310 nan 0.000 1.764 434 I N -2.276 118.308 120.570 0.023 0.000 2.984 434 I HA 0.749 4.919 4.170 -0.001 0.000 0.303 434 I C 0.341 176.471 176.117 0.021 0.000 1.381 434 I CA -0.165 61.156 61.300 0.036 0.000 0.988 434 I CB 1.348 39.365 38.000 0.028 0.000 1.307 434 I HN 2.096 nan 8.210 nan 0.000 0.460 435 G N 3.184 112.004 108.800 0.034 0.000 2.512 435 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.210 435 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.210 435 G C -0.085 174.844 174.900 0.048 0.000 1.295 435 G CA 0.085 45.205 45.100 0.034 0.000 0.934 435 G HN 0.885 nan 8.290 nan 0.000 0.554 436 K N 0.033 120.464 120.400 0.050 0.000 2.305 436 K HA 0.094 4.413 4.320 -0.001 0.000 0.199 436 K C 1.596 178.233 176.600 0.062 0.000 1.047 436 K CA 0.559 56.879 56.287 0.055 0.000 0.976 436 K CB 0.044 32.575 32.500 0.052 0.000 0.765 436 K HN 0.237 nan 8.250 nan 0.000 0.474 437 R N 1.965 122.497 120.500 0.053 0.000 2.609 437 R HA 0.082 4.421 4.340 -0.001 0.000 0.326 437 R C -0.108 176.217 176.300 0.041 0.000 1.090 437 R CA -0.247 55.884 56.100 0.051 0.000 1.072 437 R CB -0.493 29.821 30.300 0.024 0.000 1.330 437 R HN 0.301 nan 8.270 nan 0.000 0.572 438 N N 0.250 118.985 118.700 0.057 0.000 2.297 438 N HA -0.114 4.625 4.740 -0.001 0.000 0.232 438 N C 0.083 175.619 175.510 0.044 0.000 1.311 438 N CA -0.237 52.844 53.050 0.052 0.000 0.897 438 N CB 0.427 38.956 38.487 0.069 0.000 1.137 438 N HN 0.001 nan 8.380 nan 0.000 0.449 439 C N 2.466 121.786 119.300 0.032 0.000 2.657 439 C HA 0.234 4.693 4.460 -0.001 0.000 0.404 439 C C 1.436 176.394 174.990 -0.053 0.000 1.369 439 C CA -0.837 58.148 59.018 -0.056 0.000 1.665 439 C CB -2.387 25.387 27.740 0.055 0.000 2.453 439 C HN 0.661 nan 8.230 nan 0.000 0.599 440 F N 3.506 123.434 119.950 -0.037 0.000 2.773 440 F HA 0.347 4.873 4.527 -0.002 0.000 0.304 440 F C 1.432 177.188 175.800 -0.074 0.000 1.129 440 F CA -0.090 57.879 58.000 -0.052 0.000 1.378 440 F CB -0.741 38.244 39.000 -0.025 0.000 1.095 440 F HN 0.535 nan 8.300 nan 0.000 0.565 441 G N 0.290 108.913 108.800 -0.295 0.000 3.088 441 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.212 441 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.212 441 G C 1.348 176.114 174.900 -0.225 0.000 1.173 441 G CA 0.282 45.261 45.100 -0.201 0.000 0.779 441 G HN 0.517 nan 8.290 nan 0.000 0.540 442 E N 0.474 120.466 120.200 -0.347 0.000 2.051 442 E HA -0.071 4.278 4.350 -0.001 0.000 0.192 442 E C 2.575 178.880 176.600 -0.491 0.000 0.991 442 E CA 1.195 57.151 56.400 -0.740 0.000 0.799 442 E CB -0.379 28.858 29.700 -0.771 0.000 0.748 442 E HN 0.276 nan 8.360 nan 0.000 0.449 443 G N 1.150 109.793 108.800 -0.261 0.000 2.402 443 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 443 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 443 G C 1.503 176.269 174.900 -0.224 0.000 1.162 443 G CA 0.786 45.770 45.100 -0.194 0.000 0.777 443 G HN 0.297 nan 8.290 nan 0.000 0.539 444 L N 1.422 122.541 121.223 -0.173 0.000 2.017 444 L HA 0.126 4.465 4.340 -0.001 0.000 0.208 444 L C 3.049 179.839 176.870 -0.134 0.000 1.073 444 L CA 2.242 56.994 54.840 -0.147 0.000 0.745 444 L CB -0.766 41.248 42.059 -0.075 0.000 0.894 444 L HN 0.228 nan 8.230 nan 0.000 0.432 445 A N -0.509 122.246 122.820 -0.109 0.000 1.902 445 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 445 A C 2.414 180.018 177.584 0.035 0.000 1.181 445 A CA 1.736 53.775 52.037 0.002 0.000 0.623 445 A CB -0.563 18.516 19.000 0.131 0.000 0.818 445 A HN 0.498 nan 8.150 nan 0.000 0.443 446 R N -1.438 119.046 120.500 -0.027 0.000 2.127 446 R HA -0.090 4.250 4.340 -0.001 0.000 0.238 446 R C 2.270 178.597 176.300 0.046 0.000 1.134 446 R CA 1.655 57.798 56.100 0.071 0.000 0.975 446 R CB -0.333 30.007 30.300 0.067 0.000 0.865 446 R HN 0.670 nan 8.270 nan 0.000 0.447 447 M N 0.534 119.978 119.600 -0.259 0.000 2.193 447 M HA -0.124 4.355 4.480 -0.001 0.000 0.265 447 M C 1.599 177.766 176.300 -0.220 0.000 1.071 447 M CA 1.629 56.624 55.300 -0.509 0.000 1.140 447 M CB 0.181 32.336 32.600 -0.742 0.000 1.369 447 M HN 0.081 nan 8.290 nan 0.000 0.423 448 E N 0.325 120.384 120.200 -0.235 0.000 2.077 448 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 448 E C 2.000 178.463 176.600 -0.228 0.000 0.989 448 E CA 1.442 57.606 56.400 -0.394 0.000 0.800 448 E CB -0.194 29.416 29.700 -0.150 0.000 0.746 448 E HN 0.525 nan 8.360 nan 0.000 0.452 449 L N 0.130 121.368 121.223 0.026 0.000 1.994 449 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 449 L C 2.484 179.510 176.870 0.260 0.000 1.071 449 L CA 1.191 56.114 54.840 0.138 0.000 0.745 449 L CB -0.580 41.632 42.059 0.256 0.000 0.892 449 L HN 0.127 nan 8.230 nan 0.000 0.431 450 F N 0.796 120.861 119.950 0.193 0.000 2.063 450 F HA -0.304 4.222 4.527 -0.001 0.000 0.298 450 F C 2.294 178.206 175.800 0.186 0.000 1.109 450 F CA 1.794 59.931 58.000 0.228 0.000 1.212 450 F CB -0.143 39.046 39.000 0.315 0.000 0.973 450 F HN -0.115 nan 8.300 nan 0.000 0.480 451 L N -1.276 119.980 121.223 0.056 0.000 2.056 451 L HA -0.197 4.142 4.340 -0.001 0.000 0.207 451 L C 2.386 179.232 176.870 -0.039 0.000 1.078 451 L CA 0.868 55.657 54.840 -0.085 0.000 0.749 451 L CB -0.735 41.255 42.059 -0.116 0.000 0.901 451 L HN 0.130 nan 8.230 nan 0.000 0.433 452 F N -0.720 119.248 119.950 0.030 0.000 2.187 452 F HA -0.077 4.449 4.527 -0.001 0.000 0.295 452 F C 2.285 178.140 175.800 0.092 0.000 1.091 452 F CA 0.725 58.740 58.000 0.025 0.000 1.308 452 F CB -1.118 37.853 39.000 -0.047 0.000 1.030 452 F HN -0.109 nan 8.300 nan 0.000 0.487 453 F N 0.682 120.774 119.950 0.237 0.000 2.069 453 F HA -0.289 4.238 4.527 -0.001 0.000 0.298 453 F C 2.821 178.680 175.800 0.098 0.000 1.113 453 F CA 1.847 59.932 58.000 0.140 0.000 1.214 453 F CB -0.861 38.133 39.000 -0.010 0.000 0.978 453 F HN 0.037 nan 8.300 nan 0.000 0.474 454 T N -2.949 111.652 114.554 0.077 0.000 2.708 454 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 454 T C 1.814 176.570 174.700 0.093 0.000 1.037 454 T CA 1.887 63.963 62.100 -0.040 0.000 1.146 454 T CB -1.087 67.539 68.868 -0.404 0.000 0.865 454 T HN 0.169 nan 8.240 nan 0.000 0.435 455 T N 1.849 116.468 114.554 0.108 0.000 2.720 455 T HA -0.060 4.290 4.350 -0.001 0.000 0.268 455 T C 2.115 176.948 174.700 0.222 0.000 1.037 455 T CA 1.394 63.584 62.100 0.151 0.000 1.144 455 T CB -0.694 68.277 68.868 0.171 0.000 0.864 455 T HN 0.274 nan 8.240 nan 0.000 0.444 456 V N 1.459 121.567 119.914 0.323 0.000 2.358 456 V HA -0.114 4.005 4.120 -0.001 0.000 0.246 456 V C 2.500 178.866 176.094 0.454 0.000 1.047 456 V CA 1.300 63.846 62.300 0.411 0.000 1.035 456 V CB -0.494 31.590 31.823 0.437 0.000 0.658 456 V HN 0.448 nan 8.190 nan 0.000 0.452 457 M N -0.558 119.298 119.600 0.426 0.000 2.419 457 M HA -0.092 4.388 4.480 -0.001 0.000 0.264 457 M C 2.140 178.665 176.300 0.374 0.000 1.082 457 M CA 1.262 56.827 55.300 0.442 0.000 1.119 457 M CB -1.003 31.819 32.600 0.369 0.000 1.398 457 M HN 0.498 nan 8.290 nan 0.000 0.453 458 Q N 0.884 120.818 119.800 0.223 0.000 2.046 458 Q HA -0.137 4.202 4.340 -0.001 0.000 0.200 458 Q C 1.401 177.395 176.000 -0.009 0.000 0.975 458 Q CA 1.268 57.132 55.803 0.101 0.000 0.836 458 Q CB 0.070 28.850 28.738 0.069 0.000 0.896 458 Q HN 0.527 nan 8.270 nan 0.000 0.428 459 N N -1.086 117.585 118.700 -0.049 0.000 2.463 459 N HA 0.045 4.785 4.740 -0.001 0.000 0.181 459 N C -0.610 174.519 175.510 -0.636 0.000 1.078 459 N CA 0.478 53.316 53.050 -0.352 0.000 0.902 459 N CB 0.459 38.680 38.487 -0.443 0.000 0.970 459 N HN 0.046 nan 8.380 nan 0.000 0.451 460 F N 0.094 120.118 119.950 0.123 0.000 2.626 460 F HA 0.390 4.916 4.527 -0.001 0.000 0.311 460 F C -0.005 175.921 175.800 0.210 0.000 1.088 460 F CA -1.210 56.882 58.000 0.153 0.000 0.949 460 F CB 1.438 40.580 39.000 0.237 0.000 1.322 460 F HN -0.231 nan 8.300 nan 0.000 0.461 461 R N 1.781 122.520 120.500 0.399 0.000 2.711 461 R HA 0.823 5.162 4.340 -0.001 0.000 0.284 461 R C -1.984 174.423 176.300 0.177 0.000 0.968 461 R CA -0.828 55.477 56.100 0.341 0.000 0.924 461 R CB 1.702 32.154 30.300 0.253 0.000 1.162 461 R HN 0.683 nan 8.270 nan 0.000 0.465 462 L N 2.342 123.622 121.223 0.095 0.000 2.275 462 L HA 0.489 4.828 4.340 -0.001 0.000 0.288 462 L C 0.024 176.844 176.870 -0.083 0.000 1.046 462 L CA -0.610 54.179 54.840 -0.084 0.000 0.805 462 L CB 1.243 43.257 42.059 -0.075 0.000 1.193 462 L HN 0.610 nan 8.230 nan 0.000 0.426 463 K N 2.384 122.696 120.400 -0.147 0.000 2.376 463 K HA 0.440 4.759 4.320 -0.001 0.000 0.257 463 K C -0.602 175.923 176.600 -0.125 0.000 0.939 463 K CA -0.392 55.835 56.287 -0.101 0.000 0.809 463 K CB 2.018 34.480 32.500 -0.064 0.000 1.121 463 K HN 0.742 nan 8.250 nan 0.000 0.425 464 S N 0.961 116.605 115.700 -0.095 0.000 2.654 464 S HA 0.162 4.631 4.470 -0.001 0.000 0.283 464 S C 1.134 175.702 174.600 -0.054 0.000 1.180 464 S CA -0.682 57.469 58.200 -0.081 0.000 1.021 464 S CB 1.655 64.797 63.200 -0.096 0.000 1.018 464 S HN 0.620 nan 8.310 nan 0.000 0.532 465 S N 1.035 116.715 115.700 -0.034 0.000 2.382 465 S HA -0.129 4.340 4.470 -0.001 0.000 0.228 465 S C 0.833 175.416 174.600 -0.027 0.000 1.027 465 S CA 0.659 58.845 58.200 -0.023 0.000 0.991 465 S CB -0.844 62.352 63.200 -0.007 0.000 0.823 465 S HN 0.907 nan 8.310 nan 0.000 0.469 466 Q N 1.725 121.504 119.800 -0.035 0.000 2.193 466 Q HA 0.607 4.946 4.340 -0.001 0.000 0.246 466 Q C -0.510 175.460 176.000 -0.050 0.000 0.959 466 Q CA -0.860 54.920 55.803 -0.039 0.000 0.904 466 Q CB 0.938 29.652 28.738 -0.040 0.000 1.238 466 Q HN 0.276 nan 8.270 nan 0.000 0.469 467 S N -0.220 115.453 115.700 -0.046 0.000 2.584 467 S HA 0.209 4.678 4.470 -0.001 0.000 0.273 467 S C -2.008 172.551 174.600 -0.068 0.000 1.311 467 S CA -1.102 57.069 58.200 -0.050 0.000 1.034 467 S CB 0.970 64.147 63.200 -0.038 0.000 0.939 467 S HN 0.440 nan 8.310 nan 0.000 0.513 468 P HA -0.214 nan 4.420 nan 0.000 0.216 468 P C 1.321 178.548 177.300 -0.121 0.000 1.153 468 P CA 1.707 64.737 63.100 -0.116 0.000 0.858 468 P CB -0.106 31.524 31.700 -0.116 0.000 0.789 469 K N -0.816 119.531 120.400 -0.088 0.000 2.127 469 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 469 K C 1.004 177.569 176.600 -0.059 0.000 1.047 469 K CA 2.048 58.294 56.287 -0.068 0.000 0.927 469 K CB -0.924 31.550 32.500 -0.044 0.000 0.716 469 K HN 0.103 nan 8.250 nan 0.000 0.450 470 D N 0.502 120.868 120.400 -0.057 0.000 2.349 470 D HA 0.182 4.821 4.640 -0.001 0.000 0.214 470 D C 0.112 176.379 176.300 -0.054 0.000 1.063 470 D CA 0.102 54.075 54.000 -0.045 0.000 0.847 470 D CB 0.115 40.894 40.800 -0.036 0.000 0.933 470 D HN 0.226 nan 8.370 nan 0.000 0.513 471 I N 1.496 122.018 120.570 -0.080 0.000 2.436 471 I HA -0.005 4.164 4.170 -0.001 0.000 0.289 471 I C 0.497 176.570 176.117 -0.073 0.000 1.083 471 I CA -0.289 60.955 61.300 -0.094 0.000 1.372 471 I CB 0.544 38.459 38.000 -0.142 0.000 1.408 471 I HN -0.272 nan 8.210 nan 0.000 0.516 472 D N 6.530 126.900 120.400 -0.049 0.000 2.336 472 D HA 0.089 4.728 4.640 -0.001 0.000 0.249 472 D C 0.517 176.818 176.300 0.002 0.000 1.213 472 D CA 0.132 54.122 54.000 -0.015 0.000 0.870 472 D CB 1.552 42.348 40.800 -0.008 0.000 1.076 472 D HN 0.235 nan 8.370 nan 0.000 0.483 473 V N 2.945 122.892 119.914 0.056 0.000 3.660 473 V HA -0.017 4.102 4.120 -0.001 0.000 0.276 473 V C 0.945 177.241 176.094 0.335 0.000 1.317 473 V CA 0.441 62.837 62.300 0.160 0.000 1.097 473 V CB -0.078 31.788 31.823 0.071 0.000 0.863 473 V HN 0.617 nan 8.190 nan 0.000 0.438 474 S N 1.446 117.273 115.700 0.212 0.000 2.585 474 S HA 0.341 4.810 4.470 -0.001 0.000 0.273 474 S C -2.574 172.104 174.600 0.130 0.000 1.339 474 S CA -1.057 57.255 58.200 0.186 0.000 1.028 474 S CB 0.783 64.043 63.200 0.100 0.000 0.906 474 S HN 0.163 nan 8.310 nan 0.000 0.528 475 P HA 0.197 nan 4.420 nan 0.000 0.271 475 P C 0.437 177.708 177.300 -0.049 0.000 1.216 475 P CA -0.533 62.590 63.100 0.037 0.000 0.776 475 P CB 0.568 32.301 31.700 0.054 0.000 0.881 476 K N 2.283 122.603 120.400 -0.133 0.000 2.103 476 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 476 K C -0.025 176.345 176.600 -0.383 0.000 1.052 476 K CA 1.211 57.328 56.287 -0.283 0.000 0.945 476 K CB 0.122 32.411 32.500 -0.352 0.000 0.722 476 K HN 0.552 nan 8.250 nan 0.000 0.443 477 H N -0.790 118.262 119.070 -0.030 0.000 2.865 477 H HA 0.341 4.896 4.556 -0.001 0.000 0.362 477 H C -1.541 173.759 175.328 -0.046 0.000 1.114 477 H CA -0.813 55.211 56.048 -0.039 0.000 1.208 477 H CB 2.128 31.861 29.762 -0.049 0.000 1.727 477 H HN -0.145 nan 8.280 nan 0.000 0.534 478 V N 1.930 121.896 119.914 0.087 0.000 2.524 478 V HA 0.720 4.839 4.120 -0.001 0.000 0.297 478 V C 0.403 176.498 176.094 0.002 0.000 1.035 478 V CA -0.189 62.118 62.300 0.012 0.000 0.867 478 V CB 1.481 33.298 31.823 -0.009 0.000 1.004 478 V HN 0.997 nan 8.190 nan 0.000 0.426 479 G N 2.003 110.781 108.800 -0.036 0.000 3.453 479 G HA2 0.227 4.187 3.960 -0.001 0.000 0.165 479 G HA3 0.227 4.187 3.960 -0.001 0.000 0.165 479 G C 0.293 175.180 174.900 -0.021 0.000 1.220 479 G CA 0.300 45.389 45.100 -0.020 0.000 1.305 479 G HN 0.423 nan 8.290 nan 0.000 0.695 480 F N 2.468 122.328 119.950 -0.150 0.000 2.065 480 F HA 0.360 4.886 4.527 -0.001 0.000 0.298 480 F C 1.413 177.104 175.800 -0.183 0.000 1.112 480 F CA 1.774 59.689 58.000 -0.142 0.000 1.212 480 F CB -0.338 38.597 39.000 -0.109 0.000 0.975 480 F HN 0.447 nan 8.300 nan 0.000 0.476 481 A N -0.629 121.928 122.820 -0.438 0.000 2.288 481 A HA 0.591 4.910 4.320 -0.001 0.000 0.328 481 A C -0.403 177.050 177.584 -0.218 0.000 1.123 481 A CA -0.205 51.544 52.037 -0.479 0.000 0.861 481 A CB 0.395 18.899 19.000 -0.826 0.000 1.272 481 A HN 0.163 nan 8.150 nan 0.000 0.490 482 T N 2.096 116.586 114.554 -0.108 0.000 2.744 482 T HA 0.495 4.845 4.350 -0.001 0.000 0.291 482 T C -0.368 174.385 174.700 0.089 0.000 0.957 482 T CA 0.008 62.110 62.100 0.004 0.000 1.002 482 T CB 0.138 69.020 68.868 0.023 0.000 0.919 482 T HN 0.347 nan 8.240 nan 0.000 0.468 483 I N 6.352 126.956 120.570 0.057 0.000 2.389 483 I HA 0.363 4.532 4.170 -0.001 0.000 0.288 483 I C -2.266 173.767 176.117 -0.140 0.000 0.999 483 I CA -3.529 57.789 61.300 0.030 0.000 1.129 483 I CB 1.376 39.445 38.000 0.114 0.000 1.288 483 I HN 0.308 nan 8.210 nan 0.000 0.444 484 P HA 0.261 nan 4.420 nan 0.000 0.275 484 P C -0.238 176.919 177.300 -0.239 0.000 1.228 484 P CA -0.556 62.182 63.100 -0.603 0.000 0.786 484 P CB 0.741 31.893 31.700 -0.914 0.000 0.927 485 R N 1.569 121.965 120.500 -0.174 0.000 2.697 485 R HA 0.044 4.384 4.340 -0.001 0.000 0.265 485 R C 0.431 176.744 176.300 0.022 0.000 1.009 485 R CA 0.106 56.159 56.100 -0.077 0.000 1.099 485 R CB -0.413 29.857 30.300 -0.050 0.000 0.965 485 R HN 0.489 nan 8.270 nan 0.000 0.428 486 N N 1.787 120.484 118.700 -0.005 0.000 2.458 486 N HA 0.056 4.795 4.740 -0.001 0.000 0.258 486 N C -0.998 174.571 175.510 0.099 0.000 1.219 486 N CA 0.566 53.614 53.050 -0.005 0.000 0.902 486 N CB 0.243 38.711 38.487 -0.032 0.000 1.076 486 N HN 0.425 nan 8.380 nan 0.000 0.455 487 Y N -2.327 117.941 120.300 -0.053 0.000 2.670 487 Y HA 0.724 5.273 4.550 -0.001 0.000 0.334 487 Y C -0.775 175.105 175.900 -0.034 0.000 1.185 487 Y CA -1.320 56.752 58.100 -0.046 0.000 1.053 487 Y CB 0.803 39.231 38.460 -0.053 0.000 1.298 487 Y HN 0.484 nan 8.280 nan 0.000 0.459 488 T N 0.623 115.254 114.554 0.128 0.000 2.916 488 T HA 0.820 5.169 4.350 -0.001 0.000 0.292 488 T C -0.658 174.112 174.700 0.115 0.000 1.055 488 T CA -0.722 61.400 62.100 0.037 0.000 1.009 488 T CB 1.947 70.820 68.868 0.008 0.000 1.118 488 T HN 1.294 nan 8.240 nan 0.000 0.497 489 M N -0.389 119.214 119.600 0.005 0.000 2.682 489 M HA 0.725 5.205 4.480 -0.001 0.000 0.272 489 M C -1.709 174.477 176.300 -0.190 0.000 1.232 489 M CA -0.862 54.381 55.300 -0.094 0.000 0.849 489 M CB 2.006 34.526 32.600 -0.133 0.000 1.695 489 M HN 0.460 nan 8.290 nan 0.000 0.481 490 S N 0.832 116.383 115.700 -0.247 0.000 2.472 490 S HA 0.754 5.223 4.470 -0.001 0.000 0.303 490 S C -1.416 172.948 174.600 -0.394 0.000 1.099 490 S CA -0.515 57.559 58.200 -0.211 0.000 1.077 490 S CB 0.867 64.007 63.200 -0.099 0.000 1.031 490 S HN 0.480 nan 8.310 nan 0.000 0.487 491 F N 2.638 122.413 119.950 -0.292 0.000 2.334 491 F HA 0.425 4.951 4.527 -0.001 0.000 0.367 491 F C -0.092 175.601 175.800 -0.179 0.000 1.115 491 F CA -0.604 57.133 58.000 -0.437 0.000 1.116 491 F CB 0.446 38.827 39.000 -1.031 0.000 1.230 491 F HN 0.219 nan 8.300 nan 0.000 0.484 492 L N 6.001 127.360 121.223 0.227 0.000 2.287 492 L HA 0.458 4.797 4.340 -0.001 0.000 0.287 492 L C -2.382 174.759 176.870 0.450 0.000 1.022 492 L CA -2.266 52.741 54.840 0.277 0.000 0.814 492 L CB 1.273 43.411 42.059 0.131 0.000 1.217 492 L HN 0.279 nan 8.230 nan 0.000 0.420 493 P HA 0.141 nan 4.420 nan 0.000 0.268 493 P C -0.493 176.812 177.300 0.010 0.000 1.205 493 P CA -0.011 63.145 63.100 0.093 0.000 0.771 493 P CB 0.606 32.333 31.700 0.044 0.000 0.858 494 R N 0.000 120.439 120.500 -0.102 0.000 2.786 494 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 494 R CA 0.000 56.041 56.100 -0.099 0.000 0.921 494 R CB 0.000 30.197 30.300 -0.171 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535